data_publication_text
_publ_contact_author_name        'Paul J. Ragogna'
_publ_contact_author_address     
;Department of Chemistry
The University of Western Ontario
1151 Richmond St.
London, Ontario
N6A 5B7, Canada
;
_publ_contact_author_email       pragogna@uwo.ca
_publ_contact_author_phone       1-519-661-2111
_publ_contact_author_fax         1-519-661-3022
loop_
_publ_author_name
_publ_author_address
'Chadha, Preeti'
;Department of Chemistry
The University of Western Ontario
1151 Richmond St.
London, Ontario
N6A 5B7, Canada
;
'Sgro, Michael J.'
;Department of Chemistry
The University of Western Ontario
1151 Richmond St.
London, Ontario
N6A 5B7, Canada
;

 
data_6a 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C19 H29 Co Si' 
_chemical_formula_weight          344.44 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'    .0033    .0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'    .0000    .0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Si'  'Si'    .0817    .0704 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Co'  'Co'    .3494    .9721 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P2(1)/c
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
 
_cell_length_a                    12.898(3) 
_cell_length_b                    17.481(4) 
_cell_length_c                    8.2913(17) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  103.99(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      1813.9(6) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     14374 
_cell_measurement_theta_min       2.04 
_cell_measurement_theta_max       27.48 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             orange 
_exptl_crystal_size_max           0.37 
_exptl_crystal_size_mid           0.30 
_exptl_crystal_size_min           0.15 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.261 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              736 
_exptl_absorpt_coefficient_mu     1.005 
_exptl_absorpt_correction_type    'multi-scan' 
_exptl_absorpt_correction_T_min   0.7075 
_exptl_absorpt_correction_T_max   0.8639 
_exptl_absorpt_process_details    'DENZO-SMN (Otwinowski & Minor, 1997)'
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Nonius Kappa-CCD'
_diffrn_measurement_method        'φ scans, and ω scans with κ offsets'
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             7821 
_diffrn_reflns_av_R_equivalents   0.0319 
_diffrn_reflns_av_sigmaI/netI     0.0359 
_diffrn_reflns_limit_h_min        -16 
_diffrn_reflns_limit_h_max        16 
_diffrn_reflns_limit_k_min        -22 
_diffrn_reflns_limit_k_max        22 
_diffrn_reflns_limit_l_min        -10 
_diffrn_reflns_limit_l_max        10 
_diffrn_reflns_theta_min          2.33 
_diffrn_reflns_theta_max          27.50 
_reflns_number_total              4163 
_reflns_number_gt                 3704 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'COLLECT (Nonius, 1997-2001)' 
_computing_cell_refinement        'DENZO-SMN (Otwinowski & Minor, 1997)' 
_computing_data_reduction         'DENZO-SMN' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'SHELXTL/PC (Sheldrick, 2001)' 
_computing_publication_material   'SHELXTL/PC' 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0533P)²+0.6780P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4163 
_refine_ls_number_parameters      197 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0403 
_refine_ls_R_factor_gt            0.0350 
_refine_ls_wR_factor_ref          0.0986 
_refine_ls_wR_factor_gt           0.0955 
_refine_ls_goodness_of_fit_ref    1.064 
_refine_ls_restrained_S_all       1.064 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Co1 Co 0.268156(18) 0.116231(13) 0.31579(3) 0.02101(9) Uani 1 1 d . . . 
Si1 Si 0.20046(4) -0.04916(3) 0.20278(5) 0.01982(12) Uani 1 1 d . . . 
C2 C 0.18792(15) 0.10719(10) 0.0696(2) 0.0263(4) Uani 1 1 d . . . 
H2A H 0.2216 0.0944 -0.0238 0.032 Uiso 1 1 calc R . . 
C10 C 0.30824(14) -0.04611(10) 0.4069(2) 0.0229(3) Uani 1 1 d . . . 
H10A H 0.2765 -0.0598 0.5005 0.027 Uiso 1 1 calc R . . 
H10B H 0.3649 -0.0838 0.4031 0.027 Uiso 1 1 calc R . . 
C1 C 0.14985(13) 0.05211(10) 0.1711(2) 0.0219(3) Uani 1 1 d . . . 
C7 C 0.41720(14) 0.08193(10) 0.3475(2) 0.0231(4) Uani 1 1 d . . . 
C9 C 0.34853(14) 0.09567(11) 0.5462(2) 0.0241(4) Uani 1 1 d . . . 
C6 C 0.35585(13) 0.03289(10) 0.43384(19) 0.0210(3) Uani 1 1 d . . . 
C5 C 0.10901(14) 0.09627(11) 0.2884(2) 0.0281(4) Uani 1 1 d . . . 
H5A H 0.0758 0.0748 0.3758 0.034 Uiso 1 1 calc R . . 
C8 C 0.40933(14) 0.14487(11) 0.4605(2) 0.0247(4) Uani 1 1 d . . . 
C13 C 0.31006(17) 0.10239(12) 0.7013(2) 0.0315(4) Uani 1 1 d . . . 
H13A H 0.2476 0.0694 0.6930 0.047 Uiso 1 1 calc R . . 
H13B H 0.2903 0.1556 0.7160 0.047 Uiso 1 1 calc R . . 
H13C H 0.3670 0.0866 0.7967 0.047 Uiso 1 1 calc R . . 
C12 C 0.45927(17) 0.22164(11) 0.4948(2) 0.0351(4) Uani 1 1 d . . . 
H12A H 0.4133 0.2547 0.5429 0.053 Uiso 1 1 calc R . . 
H12B H 0.4683 0.2442 0.3908 0.053 Uiso 1 1 calc R . . 
H12C H 0.5292 0.2166 0.5731 0.053 Uiso 1 1 calc R . . 
C11 C 0.47983(15) 0.07049(12) 0.2203(2) 0.0298(4) Uani 1 1 d . . . 
H11A H 0.4787 0.1176 0.1560 0.045 Uiso 1 1 calc R . . 
H11B H 0.4482 0.0287 0.1456 0.045 Uiso 1 1 calc R . . 
H11C H 0.5538 0.0575 0.2756 0.045 Uiso 1 1 calc R . . 
C3 C 0.17291(16) 0.18216(11) 0.1249(2) 0.0340(4) Uani 1 1 d . . . 
H3A H 0.1946 0.2308 0.0787 0.041 Uiso 1 1 calc R . . 
C4 C 0.12373(16) 0.17571(11) 0.2606(2) 0.0344(4) Uani 1 1 d . . . 
H4A H 0.1041 0.2191 0.3261 0.041 Uiso 1 1 calc R . . 
C17 C 0.26264(14) -0.07304(11) 0.0242(2) 0.0252(4) Uani 1 1 d . . . 
H17A H 0.3031 -0.0265 0.0047 0.030 Uiso 1 1 calc R . . 
C14 C 0.09329(15) -0.12032(10) 0.2188(2) 0.0277(4) Uani 1 1 d . . . 
H14A H 0.0414 -0.1222 0.1077 0.033 Uiso 1 1 calc R . . 
C19 C 0.17715(17) -0.08719(13) -0.1367(2) 0.0373(5) Uani 1 1 d . . . 
H19A H 0.2116 -0.0941 -0.2289 0.056 Uiso 1 1 calc R . . 
H19B H 0.1287 -0.0432 -0.1596 0.056 Uiso 1 1 calc R . . 
H19C H 0.1365 -0.1333 -0.1245 0.056 Uiso 1 1 calc R . . 
C18 C 0.34328(18) -0.13872(13) 0.0590(3) 0.0398(5) Uani 1 1 d . . . 
H18A H 0.3088 -0.1847 0.0894 0.060 Uiso 1 1 calc R . . 
H18B H 0.4037 -0.1245 0.1507 0.060 Uiso 1 1 calc R . . 
H18C H 0.3690 -0.1491 -0.0408 0.060 Uiso 1 1 calc R . . 
C16 C 0.03063(18) -0.09727(14) 0.3457(3) 0.0404(5) Uani 1 1 d . . . 
H16A H -0.0244 -0.1358 0.3473 0.061 Uiso 1 1 calc R . . 
H16B H -0.0034 -0.0475 0.3151 0.061 Uiso 1 1 calc R . . 
H16C H 0.0794 -0.0938 0.4562 0.061 Uiso 1 1 calc R . . 
C15 C 0.1378(2) -0.20105(13) 0.2573(4) 0.0544(7) Uani 1 1 d . . . 
H15A H 0.1961 -0.2000 0.3582 0.082 Uiso 1 1 calc R . . 
H15B H 0.1649 -0.2199 0.1640 0.082 Uiso 1 1 calc R . . 
H15C H 0.0810 -0.2350 0.2745 0.082 Uiso 1 1 calc R . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Co1 C6 1.9557(17) . ? 
Co1 C7 1.9697(18) . ? 
Co1 C9 1.9739(18) . ? 
Co1 C8 1.9872(18) . ? 
Co1 C1 2.0345(17) . ? 
Co1 C5 2.0400(19) . ? 
Co1 C2 2.0597(19) . ? 
Co1 C4 2.0852(19) . ? 
Co1 C3 2.0980(18) . ? 
Si1 C1 1.8831(18) . ? 
Si1 C14 1.8880(19) . ? 
Si1 C17 1.8929(18) . ? 
Si1 C10 1.9137(18) . ? 
C2 C3 1.417(3) . ? 
C2 C1 1.441(3) . ? 
C2 H2A 1.0000 . ? 
C10 C6 1.506(2) . ? 
C10 H10A 0.9900 . ? 
C10 H10B 0.9900 . ? 
C1 C5 1.438(2) . ? 
C7 C8 1.465(3) . ? 
C7 C6 1.466(2) . ? 
C7 C11 1.489(2) . ? 
C9 C6 1.457(2) . ? 
C9 C8 1.459(3) . ? 
C9 C13 1.490(2) . ? 
C5 C4 1.428(3) . ? 
C5 H5A 1.0000 . ? 
C8 C12 1.486(3) . ? 
C13 H13A 0.9800 . ? 
C13 H13B 0.9800 . ? 
C13 H13C 0.9800 . ? 
C12 H12A 0.9800 . ? 
C12 H12B 0.9800 . ? 
C12 H12C 0.9800 . ? 
C11 H11A 0.9800 . ? 
C11 H11B 0.9800 . ? 
C11 H11C 0.9800 . ? 
C3 C4 1.424(3) . ? 
C3 H3A 1.0000 . ? 
C4 H4A 1.0000 . ? 
C17 C18 1.529(3) . ? 
C17 C19 1.532(3) . ? 
C17 H17A 1.0000 . ? 
C14 C15 1.528(3) . ? 
C14 C16 1.528(3) . ? 
C14 H14A 1.0000 . ? 
C19 H19A 0.9800 . ? 
C19 H19B 0.9800 . ? 
C19 H19C 0.9800 . ? 
C18 H18A 0.9800 . ? 
C18 H18B 0.9800 . ? 
C18 H18C 0.9800 . ? 
C16 H16A 0.9800 . ? 
C16 H16B 0.9800 . ? 
C16 H16C 0.9800 . ? 
C15 H15A 0.9800 . ? 
C15 H15B 0.9800 . ? 
C15 H15C 0.9800 . ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
C6 Co1 C7 43.85(7) . . ? 
C6 Co1 C9 43.54(7) . . ? 
C7 Co1 C9 63.15(8) . . ? 
C6 Co1 C8 63.31(7) . . ? 
C7 Co1 C8 43.44(7) . . ? 
C9 Co1 C8 43.23(7) . . ? 
C6 Co1 C1 98.36(7) . . ? 
C7 Co1 C1 118.66(7) . . ? 
C9 Co1 C1 127.88(7) . . ? 
C8 Co1 C1 160.38(7) . . ? 
C6 Co1 C5 111.89(8) . . ? 
C7 Co1 C5 152.39(8) . . ? 
C9 Co1 C5 110.81(8) . . ? 
C8 Co1 C5 149.39(8) . . ? 
C1 Co1 C5 41.34(7) . . ? 
C6 Co1 C2 122.01(7) . . ? 
C7 Co1 C2 110.43(8) . . ? 
C9 Co1 C2 164.98(8) . . ? 
C8 Co1 C2 141.74(8) . . ? 
C1 Co1 C2 41.21(7) . . ? 
C5 Co1 C2 68.02(8) . . ? 
C6 Co1 C4 149.22(8) . . ? 
C7 Co1 C4 166.48(8) . . ? 
C9 Co1 C4 122.37(8) . . ? 
C8 Co1 C4 130.27(8) . . ? 
C1 Co1 C4 69.05(8) . . ? 
C5 Co1 C4 40.48(8) . . ? 
C2 Co1 C4 67.22(8) . . ? 
C6 Co1 C3 161.64(8) . . ? 
C7 Co1 C3 129.97(8) . . ? 
C9 Co1 C3 154.80(8) . . ? 
C8 Co1 C3 126.94(8) . . ? 
C1 Co1 C3 68.83(8) . . ? 
C5 Co1 C3 67.68(9) . . ? 
C2 Co1 C3 39.85(7) . . ? 
C4 Co1 C3 39.79(9) . . ? 
C1 Si1 C14 113.22(8) . . ? 
C1 Si1 C17 107.23(8) . . ? 
C14 Si1 C17 111.44(8) . . ? 
C1 Si1 C10 104.50(7) . . ? 
C14 Si1 C10 110.11(8) . . ? 
C17 Si1 C10 110.08(8) . . ? 
C3 C2 C1 109.65(17) . . ? 
C3 C2 Co1 71.53(10) . . ? 
C1 C2 Co1 68.46(9) . . ? 
C3 C2 H2A 125.2 . . ? 
C1 C2 H2A 125.2 . . ? 
Co1 C2 H2A 125.2 . . ? 
C6 C10 Si1 109.86(11) . . ? 
C6 C10 H10A 109.7 . . ? 
Si1 C10 H10A 109.7 . . ? 
C6 C10 H10B 109.7 . . ? 
Si1 C10 H10B 109.7 . . ? 
H10A C10 H10B 108.2 . . ? 
C5 C1 C2 105.60(16) . . ? 
C5 C1 Si1 125.55(14) . . ? 
C2 C1 Si1 123.65(13) . . ? 
C5 C1 Co1 69.53(10) . . ? 
C2 C1 Co1 70.33(10) . . ? 
Si1 C1 Co1 104.50(8) . . ? 
C8 C7 C6 89.86(14) . . ? 
C8 C7 C11 133.44(16) . . ? 
C6 C7 C11 135.81(17) . . ? 
C8 C7 Co1 68.91(10) . . ? 
C6 C7 Co1 67.57(9) . . ? 
C11 C7 Co1 128.73(12) . . ? 
C6 C9 C8 90.39(14) . . ? 
C6 C9 C13 134.22(17) . . ? 
C8 C9 C13 134.74(17) . . ? 
C6 C9 Co1 67.56(9) . . ? 
C8 C9 Co1 68.87(9) . . ? 
C13 C9 Co1 127.88(14) . . ? 
C9 C6 C7 89.89(14) . . ? 
C9 C6 C10 134.28(15) . . ? 
C7 C6 C10 135.48(15) . . ? 
C9 C6 Co1 68.90(10) . . ? 
C7 C6 Co1 68.59(9) . . ? 
C10 C6 Co1 116.31(11) . . ? 
C4 C5 C1 109.15(17) . . ? 
C4 C5 Co1 71.46(11) . . ? 
C1 C5 Co1 69.13(10) . . ? 
C4 C5 H5A 125.4 . . ? 
C1 C5 H5A 125.4 . . ? 
Co1 C5 H5A 125.4 . . ? 
C9 C8 C7 89.86(14) . . ? 
C9 C8 C12 134.29(17) . . ? 
C7 C8 C12 134.97(17) . . ? 
C9 C8 Co1 67.90(9) . . ? 
C7 C8 Co1 67.64(9) . . ? 
C12 C8 Co1 129.38(13) . . ? 
C9 C13 H13A 109.5 . . ? 
C9 C13 H13B 109.5 . . ? 
H13A C13 H13B 109.5 . . ? 
C9 C13 H13C 109.5 . . ? 
H13A C13 H13C 109.5 . . ? 
H13B C13 H13C 109.5 . . ? 
C8 C12 H12A 109.5 . . ? 
C8 C12 H12B 109.5 . . ? 
H12A C12 H12B 109.5 . . ? 
C8 C12 H12C 109.5 . . ? 
H12A C12 H12C 109.5 . . ? 
H12B C12 H12C 109.5 . . ? 
C7 C11 H11A 109.5 . . ? 
C7 C11 H11B 109.5 . . ? 
H11A C11 H11B 109.5 . . ? 
C7 C11 H11C 109.5 . . ? 
H11A C11 H11C 109.5 . . ? 
H11B C11 H11C 109.5 . . ? 
C2 C3 C4 107.73(17) . . ? 
C2 C3 Co1 68.62(10) . . ? 
C4 C3 Co1 69.62(10) . . ? 
C2 C3 H3A 126.1 . . ? 
C4 C3 H3A 126.1 . . ? 
Co1 C3 H3A 126.1 . . ? 
C3 C4 C5 107.87(17) . . ? 
C3 C4 Co1 70.59(11) . . ? 
C5 C4 Co1 68.06(10) . . ? 
C3 C4 H4A 126.1 . . ? 
C5 C4 H4A 126.1 . . ? 
Co1 C4 H4A 126.1 . . ? 
C18 C17 C19 110.89(17) . . ? 
C18 C17 Si1 114.56(13) . . ? 
C19 C17 Si1 111.41(13) . . ? 
C18 C17 H17A 106.5 . . ? 
C19 C17 H17A 106.5 . . ? 
Si1 C17 H17A 106.5 . . ? 
C15 C14 C16 109.52(18) . . ? 
C15 C14 Si1 112.26(14) . . ? 
C16 C14 Si1 113.13(14) . . ? 
C15 C14 H14A 107.2 . . ? 
C16 C14 H14A 107.2 . . ? 
Si1 C14 H14A 107.2 . . ? 
C17 C19 H19A 109.5 . . ? 
C17 C19 H19B 109.5 . . ? 
H19A C19 H19B 109.5 . . ? 
C17 C19 H19C 109.5 . . ? 
H19A C19 H19C 109.5 . . ? 
H19B C19 H19C 109.5 . . ? 
C17 C18 H18A 109.5 . . ? 
C17 C18 H18B 109.5 . . ? 
H18A C18 H18B 109.5 . . ? 
C17 C18 H18C 109.5 . . ? 
H18A C18 H18C 109.5 . . ? 
H18B C18 H18C 109.5 . . ? 
C14 C16 H16A 109.5 . . ? 
C14 C16 H16B 109.5 . . ? 
H16A C16 H16B 109.5 . . ? 
C14 C16 H16C 109.5 . . ? 
H16A C16 H16C 109.5 . . ? 
H16B C16 H16C 109.5 . . ? 
C14 C15 H15A 109.5 . . ? 
C14 C15 H15B 109.5 . . ? 
H15A C15 H15B 109.5 . . ? 
C14 C15 H15C 109.5 . . ? 
H15A C15 H15C 109.5 . . ? 
H15B C15 H15C 109.5 . . ? 
 
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
C6 Co1 C2 C3 -176.13(12) . . . . ? 
C7 Co1 C2 C3 -128.57(12) . . . . ? 
C9 Co1 C2 C3 169.6(3) . . . . ? 
C8 Co1 C2 C3 -89.72(16) . . . . ? 
C1 Co1 C2 C3 120.86(17) . . . . ? 
C5 Co1 C2 C3 81.05(13) . . . . ? 
C4 Co1 C2 C3 37.11(13) . . . . ? 
C6 Co1 C2 C1 63.01(13) . . . . ? 
C7 Co1 C2 C1 110.58(11) . . . . ? 
C9 Co1 C2 C1 48.7(3) . . . . ? 
C8 Co1 C2 C1 149.42(12) . . . . ? 
C5 Co1 C2 C1 -39.81(10) . . . . ? 
C4 Co1 C2 C1 -83.75(12) . . . . ? 
C3 Co1 C2 C1 -120.86(17) . . . . ? 
C1 Si1 C10 C6 -27.01(14) . . . . ? 
C14 Si1 C10 C6 -148.90(12) . . . . ? 
C17 Si1 C10 C6 87.85(13) . . . . ? 
C3 C2 C1 C5 1.1(2) . . . . ? 
Co1 C2 C1 C5 60.97(11) . . . . ? 
C3 C2 C1 Si1 -154.50(13) . . . . ? 
Co1 C2 C1 Si1 -94.67(12) . . . . ? 
C3 C2 C1 Co1 -59.84(13) . . . . ? 
C14 Si1 C1 C5 64.89(17) . . . . ? 
C17 Si1 C1 C5 -171.78(15) . . . . ? 
C10 Si1 C1 C5 -54.94(17) . . . . ? 
C14 Si1 C1 C2 -144.34(14) . . . . ? 
C17 Si1 C1 C2 -21.01(16) . . . . ? 
C10 Si1 C1 C2 95.83(15) . . . . ? 
C14 Si1 C1 Co1 139.87(8) . . . . ? 
C17 Si1 C1 Co1 -96.80(9) . . . . ? 
C10 Si1 C1 Co1 20.04(10) . . . . ? 
C6 Co1 C1 C5 113.81(11) . . . . ? 
C7 Co1 C1 C5 155.18(11) . . . . ? 
C9 Co1 C1 C5 78.30(13) . . . . ? 
C8 Co1 C1 C5 133.8(2) . . . . ? 
C2 Co1 C1 C5 -115.98(15) . . . . ? 
C4 Co1 C1 C5 -37.07(11) . . . . ? 
C3 Co1 C1 C5 -79.84(12) . . . . ? 
C6 Co1 C1 C2 -130.21(11) . . . . ? 
C7 Co1 C1 C2 -88.84(12) . . . . ? 
C9 Co1 C1 C2 -165.72(11) . . . . ? 
C8 Co1 C1 C2 -110.2(2) . . . . ? 
C5 Co1 C1 C2 115.98(15) . . . . ? 
C4 Co1 C1 C2 78.92(12) . . . . ? 
C3 Co1 C1 C2 36.15(11) . . . . ? 
C6 Co1 C1 Si1 -9.18(9) . . . . ? 
C7 Co1 C1 Si1 32.19(11) . . . . ? 
C9 Co1 C1 Si1 -44.69(12) . . . . ? 
C8 Co1 C1 Si1 10.8(3) . . . . ? 
C5 Co1 C1 Si1 -122.99(14) . . . . ? 
C2 Co1 C1 Si1 121.03(14) . . . . ? 
C4 Co1 C1 Si1 -160.06(11) . . . . ? 
C3 Co1 C1 Si1 157.17(11) . . . . ? 
C6 Co1 C7 C8 -99.00(13) . . . . ? 
C9 Co1 C7 C8 -49.23(10) . . . . ? 
C1 Co1 C7 C8 -169.73(9) . . . . ? 
C5 Co1 C7 C8 -132.99(15) . . . . ? 
C2 Co1 C7 C8 145.61(10) . . . . ? 
C4 Co1 C7 C8 68.2(3) . . . . ? 
C3 Co1 C7 C8 104.79(12) . . . . ? 
C9 Co1 C7 C6 49.77(10) . . . . ? 
C8 Co1 C7 C6 99.00(13) . . . . ? 
C1 Co1 C7 C6 -70.74(11) . . . . ? 
C5 Co1 C7 C6 -33.99(18) . . . . ? 
C2 Co1 C7 C6 -115.39(10) . . . . ? 
C4 Co1 C7 C6 167.2(3) . . . . ? 
C3 Co1 C7 C6 -156.21(10) . . . . ? 
C6 Co1 C7 C11 131.5(2) . . . . ? 
C9 Co1 C7 C11 -178.7(2) . . . . ? 
C8 Co1 C7 C11 -129.5(2) . . . . ? 
C1 Co1 C7 C11 60.81(19) . . . . ? 
C5 Co1 C7 C11 97.6(2) . . . . ? 
C2 Co1 C7 C11 16.16(19) . . . . ? 
C4 Co1 C7 C11 -61.2(4) . . . . ? 
C3 Co1 C7 C11 -24.7(2) . . . . ? 
C7 Co1 C9 C6 -50.16(10) . . . . ? 
C8 Co1 C9 C6 -99.64(14) . . . . ? 
C1 Co1 C9 C6 56.53(13) . . . . ? 
C5 Co1 C9 C6 100.32(11) . . . . ? 
C2 Co1 C9 C6 17.7(3) . . . . ? 
C4 Co1 C9 C6 144.06(11) . . . . ? 
C3 Co1 C9 C6 -178.11(17) . . . . ? 
C6 Co1 C9 C8 99.64(14) . . . . ? 
C7 Co1 C9 C8 49.49(11) . . . . ? 
C1 Co1 C9 C8 156.18(11) . . . . ? 
C5 Co1 C9 C8 -160.04(11) . . . . ? 
C2 Co1 C9 C8 117.3(3) . . . . ? 
C4 Co1 C9 C8 -116.30(12) . . . . ? 
C3 Co1 C9 C8 -78.5(2) . . . . ? 
C6 Co1 C9 C13 -129.4(2) . . . . ? 
C7 Co1 C9 C13 -179.6(2) . . . . ? 
C8 Co1 C9 C13 131.0(2) . . . . ? 
C1 Co1 C9 C13 -72.9(2) . . . . ? 
C5 Co1 C9 C13 -29.08(19) . . . . ? 
C2 Co1 C9 C13 -111.7(3) . . . . ? 
C4 Co1 C9 C13 14.7(2) . . . . ? 
C3 Co1 C9 C13 52.5(3) . . . . ? 
C8 C9 C6 C7 0.14(13) . . . . ? 
C13 C9 C6 C7 -171.3(2) . . . . ? 
Co1 C9 C6 C7 67.01(9) . . . . ? 
C8 C9 C6 C10 -173.55(17) . . . . ? 
C13 C9 C6 C10 15.0(3) . . . . ? 
Co1 C9 C6 C10 -106.69(19) . . . . ? 
C8 C9 C6 Co1 -66.87(9) . . . . ? 
C13 C9 C6 Co1 121.7(2) . . . . ? 
C8 C7 C6 C9 -0.14(13) . . . . ? 
C11 C7 C6 C9 169.58(19) . . . . ? 
Co1 C7 C6 C9 -67.30(10) . . . . ? 
C8 C7 C6 C10 173.42(18) . . . . ? 
C11 C7 C6 C10 -16.9(3) . . . . ? 
Co1 C7 C6 C10 106.27(19) . . . . ? 
C8 C7 C6 Co1 67.15(10) . . . . ? 
C11 C7 C6 Co1 -123.1(2) . . . . ? 
Si1 C10 C6 C9 107.62(19) . . . . ? 
Si1 C10 C6 C7 -63.4(2) . . . . ? 
Si1 C10 C6 Co1 22.14(16) . . . . ? 
C7 Co1 C6 C9 98.57(13) . . . . ? 
C8 Co1 C6 C9 49.09(11) . . . . ? 
C1 Co1 C6 C9 -138.28(11) . . . . ? 
C5 Co1 C6 C9 -97.64(11) . . . . ? 
C2 Co1 C6 C9 -174.67(10) . . . . ? 
C4 Co1 C6 C9 -75.63(17) . . . . ? 
C3 Co1 C6 C9 177.4(2) . . . . ? 
C9 Co1 C6 C7 -98.57(13) . . . . ? 
C8 Co1 C6 C7 -49.48(10) . . . . ? 
C1 Co1 C6 C7 123.15(10) . . . . ? 
C5 Co1 C6 C7 163.78(10) . . . . ? 
C2 Co1 C6 C7 86.75(12) . . . . ? 
C4 Co1 C6 C7 -174.20(13) . . . . ? 
C3 Co1 C6 C7 78.9(3) . . . . ? 
C7 Co1 C6 C10 -131.33(17) . . . . ? 
C9 Co1 C6 C10 130.09(17) . . . . ? 
C8 Co1 C6 C10 179.19(15) . . . . ? 
C1 Co1 C6 C10 -8.19(13) . . . . ? 
C5 Co1 C6 C10 32.45(15) . . . . ? 
C2 Co1 C6 C10 -44.58(16) . . . . ? 
C4 Co1 C6 C10 54.5(2) . . . . ? 
C3 Co1 C6 C10 -52.5(3) . . . . ? 
C2 C1 C5 C4 -1.01(19) . . . . ? 
Si1 C1 C5 C4 154.03(13) . . . . ? 
Co1 C1 C5 C4 60.49(13) . . . . ? 
C2 C1 C5 Co1 -61.50(12) . . . . ? 
Si1 C1 C5 Co1 93.54(13) . . . . ? 
C6 Co1 C5 C4 162.82(11) . . . . ? 
C7 Co1 C5 C4 -172.51(14) . . . . ? 
C9 Co1 C5 C4 115.90(12) . . . . ? 
C8 Co1 C5 C4 88.56(18) . . . . ? 
C1 Co1 C5 C4 -119.88(16) . . . . ? 
C2 Co1 C5 C4 -80.19(12) . . . . ? 
C3 Co1 C5 C4 -37.01(11) . . . . ? 
C6 Co1 C5 C1 -77.31(12) . . . . ? 
C7 Co1 C5 C1 -52.64(19) . . . . ? 
C9 Co1 C5 C1 -124.23(11) . . . . ? 
C8 Co1 C5 C1 -151.56(14) . . . . ? 
C2 Co1 C5 C1 39.69(10) . . . . ? 
C4 Co1 C5 C1 119.88(16) . . . . ? 
C3 Co1 C5 C1 82.86(12) . . . . ? 
C6 C9 C8 C7 -0.14(13) . . . . ? 
C13 C9 C8 C7 171.2(2) . . . . ? 
Co1 C9 C8 C7 -65.83(9) . . . . ? 
C6 C9 C8 C12 -170.2(2) . . . . ? 
C13 C9 C8 C12 1.2(4) . . . . ? 
Co1 C9 C8 C12 124.1(2) . . . . ? 
C6 C9 C8 Co1 65.68(9) . . . . ? 
C13 C9 C8 Co1 -122.9(2) . . . . ? 
C6 C7 C8 C9 0.14(13) . . . . ? 
C11 C7 C8 C9 -170.00(19) . . . . ? 
Co1 C7 C8 C9 66.06(10) . . . . ? 
C6 C7 C8 C12 170.10(19) . . . . ? 
C11 C7 C8 C12 0.0(3) . . . . ? 
Co1 C7 C8 C12 -124.0(2) . . . . ? 
C6 C7 C8 Co1 -65.92(9) . . . . ? 
C11 C7 C8 Co1 123.9(2) . . . . ? 
C6 Co1 C8 C9 -49.47(11) . . . . ? 
C7 Co1 C8 C9 -99.45(14) . . . . ? 
C1 Co1 C8 C9 -71.7(2) . . . . ? 
C5 Co1 C8 C9 38.8(2) . . . . ? 
C2 Co1 C8 C9 -158.18(12) . . . . ? 
C4 Co1 C8 C9 97.08(13) . . . . ? 
C3 Co1 C8 C9 148.54(12) . . . . ? 
C6 Co1 C8 C7 49.98(10) . . . . ? 
C9 Co1 C8 C7 99.45(14) . . . . ? 
C1 Co1 C8 C7 27.8(2) . . . . ? 
C5 Co1 C8 C7 138.26(15) . . . . ? 
C2 Co1 C8 C7 -58.73(15) . . . . ? 
C4 Co1 C8 C7 -163.47(11) . . . . ? 
C3 Co1 C8 C7 -112.02(12) . . . . ? 
C6 Co1 C8 C12 -179.4(2) . . . . ? 
C7 Co1 C8 C12 130.6(2) . . . . ? 
C9 Co1 C8 C12 -129.9(2) . . . . ? 
C1 Co1 C8 C12 158.39(19) . . . . ? 
C5 Co1 C8 C12 -91.1(2) . . . . ? 
C2 Co1 C8 C12 71.9(2) . . . . ? 
C4 Co1 C8 C12 -32.8(2) . . . . ? 
C3 Co1 C8 C12 18.6(2) . . . . ? 
C1 C2 C3 C4 -0.8(2) . . . . ? 
Co1 C2 C3 C4 -58.82(13) . . . . ? 
C1 C2 C3 Co1 57.98(12) . . . . ? 
C6 Co1 C3 C2 10.5(3) . . . . ? 
C7 Co1 C3 C2 72.94(15) . . . . ? 
C9 Co1 C3 C2 -173.68(16) . . . . ? 
C8 Co1 C3 C2 129.22(12) . . . . ? 
C1 Co1 C3 C2 -37.33(11) . . . . ? 
C5 Co1 C3 C2 -81.98(13) . . . . ? 
C4 Co1 C3 C2 -119.63(17) . . . . ? 
C6 Co1 C3 C4 130.1(2) . . . . ? 
C7 Co1 C3 C4 -167.43(11) . . . . ? 
C9 Co1 C3 C4 -54.1(2) . . . . ? 
C8 Co1 C3 C4 -111.15(13) . . . . ? 
C1 Co1 C3 C4 82.29(12) . . . . ? 
C5 Co1 C3 C4 37.64(11) . . . . ? 
C2 Co1 C3 C4 119.63(17) . . . . ? 
C2 C3 C4 C5 0.2(2) . . . . ? 
Co1 C3 C4 C5 -58.00(13) . . . . ? 
C2 C3 C4 Co1 58.19(13) . . . . ? 
C1 C5 C4 C3 0.5(2) . . . . ? 
Co1 C5 C4 C3 59.58(13) . . . . ? 
C1 C5 C4 Co1 -59.05(12) . . . . ? 
C6 Co1 C4 C3 -151.90(14) . . . . ? 
C7 Co1 C4 C3 45.5(3) . . . . ? 
C9 Co1 C4 C3 155.91(11) . . . . ? 
C8 Co1 C4 C3 102.33(13) . . . . ? 
C1 Co1 C4 C3 -81.69(12) . . . . ? 
C5 Co1 C4 C3 -119.51(16) . . . . ? 
C2 Co1 C4 C3 -37.17(11) . . . . ? 
C6 Co1 C4 C5 -32.39(19) . . . . ? 
C7 Co1 C4 C5 165.0(3) . . . . ? 
C9 Co1 C4 C5 -84.57(13) . . . . ? 
C8 Co1 C4 C5 -138.16(11) . . . . ? 
C1 Co1 C4 C5 37.82(11) . . . . ? 
C2 Co1 C4 C5 82.35(12) . . . . ? 
C3 Co1 C4 C5 119.51(16) . . . . ? 
C1 Si1 C17 C18 158.11(15) . . . . ? 
C14 Si1 C17 C18 -77.47(17) . . . . ? 
C10 Si1 C17 C18 44.99(17) . . . . ? 
C1 Si1 C17 C19 -74.99(15) . . . . ? 
C14 Si1 C17 C19 49.43(16) . . . . ? 
C10 Si1 C17 C19 171.89(13) . . . . ? 
C1 Si1 C14 C15 -175.75(16) . . . . ? 
C17 Si1 C14 C15 63.27(19) . . . . ? 
C10 Si1 C14 C15 -59.18(18) . . . . ? 
C1 Si1 C14 C16 -51.18(17) . . . . ? 
C17 Si1 C14 C16 -172.16(14) . . . . ? 
C10 Si1 C14 C16 65.39(16) . . . . ? 
 
_diffrn_measured_fraction_theta_max     .998 
_diffrn_reflns_theta_full              27.50 
_diffrn_measured_fraction_theta_full    .998 
_refine_diff_density_max     .353 
_refine_diff_density_min    -.437 
_refine_diff_density_rms     .072 
 
data_6b 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C15 H21 Co Si' 
_chemical_formula_weight          288.34 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'    .0033    .0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'    .0000    .0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Si'  'Si'    .0817    .0704 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Co'  'Co'    .3494    .9721 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Triclinic 
_symmetry_space_group_name_H-M    P-1 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    8.0983(11) 
_cell_length_b                    8.9558(12) 
_cell_length_c                    20.885(3) 
_cell_angle_alpha                 87.9573(19) 
_cell_angle_beta                  86.5522(18) 
_cell_angle_gamma                 77.6112(17) 
_cell_volume                      1476.4(3) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     193(2) 
_cell_measurement_reflns_used     5261 
_cell_measurement_theta_min       2.33 
_cell_measurement_theta_max       27.49 
 
_exptl_crystal_description        fragment 
_exptl_crystal_colour             orange 
_exptl_crystal_size_max           0.54 
_exptl_crystal_size_mid           0.42 
_exptl_crystal_size_min           0.40 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.297 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              608 
_exptl_absorpt_coefficient_mu     1.221 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.5586 
_exptl_absorpt_correction_T_max   0.6409 
_exptl_absorpt_process_details    'SADABS (Sheldrick, 1996)'
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       193(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   
'Bruker PLATFORM diffractometer/SMART 1000 CCD area detector' 
_diffrn_measurement_method         'ω scans' 
_diffrn_detector_area_resol_mean  8.192 
_diffrn_standards_number          0  
_diffrn_standards_interval_time   0 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             12352 
_diffrn_reflns_av_R_equivalents   0.0201 
_diffrn_reflns_av_sigmaI/netI     0.0307 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -11 
_diffrn_reflns_limit_k_max        11 
_diffrn_reflns_limit_l_min        -26 
_diffrn_reflns_limit_l_max        27 
_diffrn_reflns_theta_min          1.95 
_diffrn_reflns_theta_max          27.50 
_reflns_number_total              6618 
_reflns_number_gt                 5934 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Bruker SMART (Bruker, 1997)' 
_computing_cell_refinement        'Bruker SAINT (Bruker, 1997)' 
_computing_data_reduction         'Bruker SAINT (Bruker, 1997)' 
_computing_structure_solution     'SIR97 (Altomare et al., 1999)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL (Bruker, 1997)' 
_computing_publication_material   'Bruker SHELXTL (Bruker, 1997)'
 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0571P)²+1.1934P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          6618 
_refine_ls_number_parameters      317 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0396 
_refine_ls_R_factor_gt            0.0360 
_refine_ls_wR_factor_ref          0.1190 
_refine_ls_wR_factor_gt           0.1167 
_refine_ls_goodness_of_fit_ref    1.164 
_refine_ls_restrained_S_all       1.164 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
CoA Co 0.23363(4) 0.82976(4) 0.405644(15) 0.02493(10) Uani 1 1 d . . . 
SiA Si 0.29605(10) 0.79305(9) 0.25810(3) 0.03370(17) Uani 1 1 d . . . 
C6A C 0.4188(3) 0.6655(3) 0.37550(12) 0.0325(5) Uani 1 1 d . . . 
C7A C 0.2911(4) 0.6050(3) 0.41519(13) 0.0344(5) Uani 1 1 d . . . 
C8A C 0.3374(3) 0.6761(3) 0.47096(12) 0.0334(5) Uani 1 1 d . . . 
C9A C 0.4636(3) 0.7360(3) 0.43192(13) 0.0343(5) Uani 1 1 d . . . 
C10A C 0.4728(4) 0.6711(4) 0.30511(14) 0.0432(7) Uani 1 1 d . . . 
H10A H 0.5011 0.5662 0.2883 0.052 Uiso 1 1 calc R . . 
H10B H 0.5753 0.7147 0.2996 0.052 Uiso 1 1 calc R . . 
C11A C 0.1865(5) 0.4913(4) 0.40613(18) 0.0542(8) Uani 1 1 d . . . 
H11A H 0.2537 0.3881 0.4138 0.081 Uiso 1 1 calc R . . 
H11B H 0.1490 0.5002 0.3621 0.081 Uiso 1 1 calc R . . 
H11C H 0.0874 0.5103 0.4364 0.081 Uiso 1 1 calc R . . 
C12A C 0.2972(5) 0.6641(4) 0.54129(14) 0.0496(8) Uani 1 1 d . . . 
H12A H 0.3748 0.5758 0.5596 0.074 Uiso 1 1 calc R . . 
H12B H 0.1804 0.6512 0.5488 0.074 Uiso 1 1 calc R . . 
H12C H 0.3099 0.7575 0.5618 0.074 Uiso 1 1 calc R . . 
C13A C 0.6042(4) 0.8125(4) 0.44556(19) 0.0551(8) Uani 1 1 d . . . 
H13A H 0.5736 0.8724 0.4845 0.083 Uiso 1 1 calc R . . 
H13B H 0.6234 0.8804 0.4093 0.083 Uiso 1 1 calc R . . 
H13C H 0.7077 0.7348 0.4518 0.083 Uiso 1 1 calc R . . 
C14A C 0.3878(5) 0.8968(4) 0.19046(15) 0.0500(8) Uani 1 1 d . . . 
H14A H 0.4643 0.8229 0.1630 0.075 Uiso 1 1 calc R . . 
H14B H 0.4510 0.9669 0.2077 0.075 Uiso 1 1 calc R . . 
H14C H 0.2964 0.9552 0.1652 0.075 Uiso 1 1 calc R . . 
C15A C 0.1585(5) 0.6743(4) 0.22626(15) 0.0503(8) Uani 1 1 d . . . 
H15A H 0.0663 0.7404 0.2038 0.075 Uiso 1 1 calc R . . 
H15B H 0.1110 0.6197 0.2619 0.075 Uiso 1 1 calc R . . 
H15C H 0.2258 0.6003 0.1963 0.075 Uiso 1 1 calc R . . 
C1A C 0.1675(3) 0.9268(3) 0.31857(11) 0.0291(5) Uani 1 1 d . . . 
C2A C 0.0198(3) 0.8983(3) 0.35441(12) 0.0319(5) Uani 1 1 d . . . 
H2AA H -0.0540 0.8299 0.3410 0.038 Uiso 1 1 calc R . . 
C3A C -0.0039(3) 0.9817(3) 0.41218(12) 0.0326(5) Uani 1 1 d . . . 
H3AA H -0.0951 0.9802 0.4465 0.039 Uiso 1 1 calc R . . 
C4A C 0.1272(3) 1.0631(3) 0.41342(12) 0.0329(5) Uani 1 1 d . . . 
H4AA H 0.1443 1.1303 0.4486 0.040 Uiso 1 1 calc R . . 
C5A C 0.2324(3) 1.0304(3) 0.35610(12) 0.0311(5) Uani 1 1 d . . . 
H5AA H 0.3344 1.0734 0.3439 0.037 Uiso 1 1 calc R . . 
CoB Co 0.75650(4) 0.34796(4) 0.087935(14) 0.02478(10) Uani 1 1 d . . . 
SiB Si 0.76890(9) 0.26449(8) 0.23429(3) 0.02974(16) Uani 1 1 d . . . 
C6B C 0.8889(3) 0.1471(3) 0.11264(12) 0.0276(5) Uani 1 1 d . . . 
C9B C 0.9935(3) 0.2363(3) 0.07561(12) 0.0272(5) Uani 1 1 d . . . 
C8B C 0.8999(3) 0.2271(3) 0.01879(12) 0.0294(5) Uani 1 1 d . . . 
C7B C 0.7953(3) 0.1387(3) 0.05555(12) 0.0305(5) Uani 1 1 d . . . 
C10B C 0.8718(4) 0.0962(3) 0.18179(13) 0.0374(6) Uani 1 1 d . . . 
H10C H 0.9852 0.0495 0.1970 0.045 Uiso 1 1 calc R . . 
H10D H 0.8022 0.0176 0.1854 0.045 Uiso 1 1 calc R . . 
C13B C 1.1505(3) 0.2898(4) 0.08778(15) 0.0386(6) Uani 1 1 d . . . 
H13D H 1.1458 0.3215 0.1324 0.058 Uiso 1 1 calc R . . 
H13E H 1.1598 0.3766 0.0589 0.058 Uiso 1 1 calc R . . 
H13F H 1.2493 0.2064 0.0800 0.058 Uiso 1 1 calc R . . 
C12B C 0.9262(4) 0.2603(4) -0.05115(13) 0.0420(7) Uani 1 1 d . . . 
H12D H 1.0000 0.1712 -0.0714 0.063 Uiso 1 1 calc R . . 
H12E H 0.9791 0.3488 -0.0570 0.063 Uiso 1 1 calc R . . 
H12F H 0.8167 0.2826 -0.0710 0.063 Uiso 1 1 calc R . . 
C11B C 0.6652(4) 0.0538(4) 0.03818(17) 0.0468(7) Uani 1 1 d . . . 
H11D H 0.5940 0.1132 0.0059 0.070 Uiso 1 1 calc R . . 
H11E H 0.5946 0.0378 0.0765 0.070 Uiso 1 1 calc R . . 
H11F H 0.7216 -0.0455 0.0207 0.070 Uiso 1 1 calc R . . 
C15B C 0.6093(5) 0.2040(4) 0.29181(15) 0.0497(8) Uani 1 1 d . . . 
H15D H 0.6634 0.1128 0.3161 0.075 Uiso 1 1 calc R . . 
H15E H 0.5175 0.1806 0.2681 0.075 Uiso 1 1 calc R . . 
H15F H 0.5631 0.2869 0.3215 0.075 Uiso 1 1 calc R . . 
C14B C 0.9271(4) 0.3361(4) 0.27845(16) 0.0478(7) Uani 1 1 d . . . 
H14D H 0.8718 0.4303 0.3003 0.072 Uiso 1 1 calc R . . 
H14E H 1.0169 0.3573 0.2482 0.072 Uiso 1 1 calc R . . 
H14F H 0.9762 0.2587 0.3102 0.072 Uiso 1 1 calc R . . 
C1B C 0.6640(3) 0.4175(3) 0.17739(11) 0.0287(5) Uani 1 1 d . . . 
C5B C 0.7413(3) 0.5320(3) 0.14573(12) 0.0332(5) Uani 1 1 d . . . 
H5BA H 0.8399 0.5691 0.1610 0.040 Uiso 1 1 calc R . . 
C4B C 0.6553(4) 0.5838(3) 0.08879(13) 0.0415(7) Uani 1 1 d . . . 
H4BA H 0.6843 0.6615 0.0569 0.050 Uiso 1 1 calc R . . 
C3B C 0.5232(4) 0.5034(4) 0.08474(13) 0.0429(7) Uani 1 1 d . . . 
H3BA H 0.4431 0.5144 0.0494 0.052 Uiso 1 1 calc R . . 
C2B C 0.5275(3) 0.4014(4) 0.13877(12) 0.0353(6) Uani 1 1 d . . . 
H2BA H 0.4487 0.3305 0.1484 0.042 Uiso 1 1 calc R . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
CoA C6A 1.953(2) . ? 
CoA C7A 1.972(3) . ? 
CoA C9A 1.973(3) . ? 
CoA C8A 1.992(2) . ? 
CoA C1A 2.038(2) . ? 
CoA C5A 2.040(3) . ? 
CoA C2A 2.059(2) . ? 
CoA C4A 2.090(3) . ? 
CoA C3A 2.104(3) . ? 
SiA C15A 1.860(3) . ? 
SiA C14A 1.868(3) . ? 
SiA C1A 1.878(3) . ? 
SiA C10A 1.904(3) . ? 
C6A C9A 1.457(4) . ? 
C6A C7A 1.468(4) . ? 
C6A C10A 1.511(4) . ? 
C7A C8A 1.453(4) . ? 
C7A C11A 1.482(4) . ? 
C8A C9A 1.449(4) . ? 
C8A C12A 1.491(4) . ? 
C9A C13A 1.495(4) . ? 
C10A H10A 0.9900 . ? 
C10A H10B 0.9900 . ? 
C11A H11A 0.9800 . ? 
C11A H11B 0.9800 . ? 
C11A H11C 0.9800 . ? 
C12A H12A 0.9800 . ? 
C12A H12B 0.9800 . ? 
C12A H12C 0.9800 . ? 
C13A H13A 0.9800 . ? 
C13A H13B 0.9800 . ? 
C13A H13C 0.9800 . ? 
C14A H14A 0.9800 . ? 
C14A H14B 0.9800 . ? 
C14A H14C 0.9800 . ? 
C15A H15A 0.9800 . ? 
C15A H15B 0.9800 . ? 
C15A H15C 0.9800 . ? 
C1A C5A 1.436(4) . ? 
C1A C2A 1.437(4) . ? 
C2A C3A 1.423(4) . ? 
C2A H2AA 1.0000 . ? 
C3A C4A 1.413(4) . ? 
C3A H3AA 1.0000 . ? 
C4A C5A 1.428(4) . ? 
C4A H4AA 1.0000 . ? 
C5A H5AA 1.0000 . ? 
CoB C6B 1.956(2) . ? 
CoB C7B 1.970(3) . ? 
CoB C9B 1.971(2) . ? 
CoB C8B 1.994(2) . ? 
CoB C1B 2.038(2) . ? 
CoB C2B 2.053(2) . ? 
CoB C5B 2.056(3) . ? 
CoB C4B 2.095(3) . ? 
CoB C3B 2.095(3) . ? 
SiB C14B 1.855(3) . ? 
SiB C15B 1.864(3) . ? 
SiB C1B 1.876(3) . ? 
SiB C10B 1.908(3) . ? 
C6B C9B 1.457(3) . ? 
C6B C7B 1.463(3) . ? 
C6B C10B 1.506(4) . ? 
C9B C8B 1.460(3) . ? 
C9B C13B 1.490(3) . ? 
C8B C7B 1.449(4) . ? 
C8B C12B 1.492(4) . ? 
C7B C11B 1.493(4) . ? 
C10B H10C 0.9900 . ? 
C10B H10D 0.9900 . ? 
C13B H13D 0.9800 . ? 
C13B H13E 0.9800 . ? 
C13B H13F 0.9800 . ? 
C12B H12D 0.9800 . ? 
C12B H12E 0.9800 . ? 
C12B H12F 0.9800 . ? 
C11B H11D 0.9800 . ? 
C11B H11E 0.9800 . ? 
C11B H11F 0.9800 . ? 
C15B H15D 0.9800 . ? 
C15B H15E 0.9800 . ? 
C15B H15F 0.9800 . ? 
C14B H14D 0.9800 . ? 
C14B H14E 0.9800 . ? 
C14B H14F 0.9800 . ? 
C1B C5B 1.435(4) . ? 
C1B C2B 1.441(3) . ? 
C5B C4B 1.427(4) . ? 
C5B H5BA 1.0000 . ? 
C4B C3B 1.420(5) . ? 
C4B H4BA 1.0000 . ? 
C3B C2B 1.424(4) . ? 
C3B H3BA 1.0000 . ? 
C2B H2BA 1.0000 . ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
C6A CoA C7A 43.91(11) . . ? 
C6A CoA C9A 43.55(11) . . ? 
C7A CoA C9A 62.93(12) . . ? 
C6A CoA C8A 62.97(11) . . ? 
C7A CoA C8A 42.99(11) . . ? 
C9A CoA C8A 42.87(11) . . ? 
C6A CoA C1A 98.03(10) . . ? 
C7A CoA C1A 119.26(11) . . ? 
C9A CoA C1A 127.19(11) . . ? 
C8A CoA C1A 160.04(10) . . ? 
C6A CoA C5A 112.19(11) . . ? 
C7A CoA C5A 153.07(11) . . ? 
C9A CoA C5A 110.74(11) . . ? 
C8A CoA C5A 148.93(12) . . ? 
C1A CoA C5A 41.23(10) . . ? 
C6A CoA C2A 120.98(11) . . ? 
C7A CoA C2A 110.41(11) . . ? 
C9A CoA C2A 163.87(11) . . ? 
C8A CoA C2A 142.44(12) . . ? 
C1A CoA C2A 41.07(10) . . ? 
C5A CoA C2A 67.97(11) . . ? 
C6A CoA C4A 149.91(11) . . ? 
C7A CoA C4A 165.81(11) . . ? 
C9A CoA C4A 123.14(11) . . ? 
C8A CoA C4A 130.70(10) . . ? 
C1A CoA C4A 68.80(10) . . ? 
C5A CoA C4A 40.44(10) . . ? 
C2A CoA C4A 67.11(11) . . ? 
C6A CoA C3A 160.71(11) . . ? 
C7A CoA C3A 129.86(12) . . ? 
C9A CoA C3A 155.73(11) . . ? 
C8A CoA C3A 128.00(11) . . ? 
C1A CoA C3A 68.51(10) . . ? 
C5A CoA C3A 67.30(10) . . ? 
C2A CoA C3A 39.95(10) . . ? 
C4A CoA C3A 39.36(11) . . ? 
C15A SiA C14A 109.71(16) . . ? 
C15A SiA C1A 108.74(14) . . ? 
C14A SiA C1A 112.35(13) . . ? 
C15A SiA C10A 111.29(16) . . ? 
C14A SiA C10A 110.00(16) . . ? 
C1A SiA C10A 104.68(12) . . ? 
C9A C6A C7A 89.5(2) . . ? 
C9A C6A C10A 133.3(3) . . ? 
C7A C6A C10A 136.8(3) . . ? 
C9A C6A CoA 68.96(14) . . ? 
C7A C6A CoA 68.72(14) . . ? 
C10A C6A CoA 116.41(18) . . ? 
C8A C7A C6A 89.8(2) . . ? 
C8A C7A C11A 134.0(3) . . ? 
C6A C7A C11A 135.0(3) . . ? 
C8A C7A CoA 69.25(15) . . ? 
C6A C7A CoA 67.36(14) . . ? 
C11A C7A CoA 129.9(2) . . ? 
C9A C8A C7A 90.4(2) . . ? 
C9A C8A C12A 134.4(3) . . ? 
C7A C8A C12A 134.1(3) . . ? 
C9A C8A CoA 67.86(14) . . ? 
C7A C8A CoA 67.76(14) . . ? 
C12A C8A CoA 130.41(19) . . ? 
C8A C9A C6A 90.3(2) . . ? 
C8A C9A C13A 134.8(3) . . ? 
C6A C9A C13A 134.0(3) . . ? 
C8A C9A CoA 69.26(14) . . ? 
C6A C9A CoA 67.49(14) . . ? 
C13A C9A CoA 128.7(2) . . ? 
C6A C10A SiA 110.36(18) . . ? 
C6A C10A H10A 109.6 . . ? 
SiA C10A H10A 109.6 . . ? 
C6A C10A H10B 109.6 . . ? 
SiA C10A H10B 109.6 . . ? 
H10A C10A H10B 108.1 . . ? 
C7A C11A H11A 109.5 . . ? 
C7A C11A H11B 109.5 . . ? 
H11A C11A H11B 109.5 . . ? 
C7A C11A H11C 109.5 . . ? 
H11A C11A H11C 109.5 . . ? 
H11B C11A H11C 109.5 . . ? 
C8A C12A H12A 109.5 . . ? 
C8A C12A H12B 109.5 . . ? 
H12A C12A H12B 109.5 . . ? 
C8A C12A H12C 109.5 . . ? 
H12A C12A H12C 109.5 . . ? 
H12B C12A H12C 109.5 . . ? 
C9A C13A H13A 109.5 . . ? 
C9A C13A H13B 109.5 . . ? 
H13A C13A H13B 109.5 . . ? 
C9A C13A H13C 109.5 . . ? 
H13A C13A H13C 109.5 . . ? 
H13B C13A H13C 109.5 . . ? 
SiA C14A H14A 109.5 . . ? 
SiA C14A H14B 109.5 . . ? 
H14A C14A H14B 109.5 . . ? 
SiA C14A H14C 109.5 . . ? 
H14A C14A H14C 109.5 . . ? 
H14B C14A H14C 109.5 . . ? 
SiA C15A H15A 109.5 . . ? 
SiA C15A H15B 109.5 . . ? 
H15A C15A H15B 109.5 . . ? 
SiA C15A H15C 109.5 . . ? 
H15A C15A H15C 109.5 . . ? 
H15B C15A H15C 109.5 . . ? 
C5A C1A C2A 105.8(2) . . ? 
C5A C1A SiA 125.03(19) . . ? 
C2A C1A SiA 124.2(2) . . ? 
C5A C1A CoA 69.44(14) . . ? 
C2A C1A CoA 70.24(14) . . ? 
SiA C1A CoA 105.06(12) . . ? 
C3A C2A C1A 109.3(2) . . ? 
C3A C2A CoA 71.74(14) . . ? 
C1A C2A CoA 68.69(14) . . ? 
C3A C2A H2AA 125.4 . . ? 
C1A C2A H2AA 125.4 . . ? 
CoA C2A H2AA 125.4 . . ? 
C4A C3A C2A 108.0(2) . . ? 
C4A C3A CoA 69.79(14) . . ? 
C2A C3A CoA 68.31(14) . . ? 
C4A C3A H3AA 126.0 . . ? 
C2A C3A H3AA 126.0 . . ? 
CoA C3A H3AA 126.0 . . ? 
C3A C4A C5A 107.9(2) . . ? 
C3A C4A CoA 70.85(15) . . ? 
C5A C4A CoA 67.87(14) . . ? 
C3A C4A H4AA 126.0 . . ? 
C5A C4A H4AA 126.0 . . ? 
CoA C4A H4AA 126.0 . . ? 
C4A C5A C1A 109.1(2) . . ? 
C4A C5A CoA 71.69(15) . . ? 
C1A C5A CoA 69.33(14) . . ? 
C4A C5A H5AA 125.5 . . ? 
C1A C5A H5AA 125.5 . . ? 
CoA C5A H5AA 125.5 . . ? 
C6B CoB C7B 43.76(10) . . ? 
C6B CoB C9B 43.55(10) . . ? 
C7B CoB C9B 62.86(10) . . ? 
C6B CoB C8B 63.09(10) . . ? 
C7B CoB C8B 42.88(11) . . ? 
C9B CoB C8B 43.20(10) . . ? 
C6B CoB C1B 97.76(10) . . ? 
C7B CoB C1B 126.66(11) . . ? 
C9B CoB C1B 119.36(10) . . ? 
C8B CoB C1B 160.12(10) . . ? 
C6B CoB C2B 112.30(11) . . ? 
C7B CoB C2B 110.36(11) . . ? 
C9B CoB C2B 153.05(11) . . ? 
C8B CoB C2B 148.37(11) . . ? 
C1B CoB C2B 41.25(10) . . ? 
C6B CoB C5B 120.18(10) . . ? 
C7B CoB C5B 163.16(11) . . ? 
C9B CoB C5B 110.31(11) . . ? 
C8B CoB C5B 142.84(11) . . ? 
C1B CoB C5B 41.03(10) . . ? 
C2B CoB C5B 68.16(11) . . ? 
C6B CoB C4B 160.11(11) . . ? 
C7B CoB C4B 156.12(11) . . ? 
C9B CoB C4B 129.91(12) . . ? 
C8B CoB C4B 128.20(11) . . ? 
C1B CoB C4B 68.54(10) . . ? 
C2B CoB C4B 67.43(12) . . ? 
C5B CoB C4B 40.20(11) . . ? 
C6B CoB C3B 149.95(12) . . ? 
C7B CoB C3B 123.16(12) . . ? 
C9B CoB C3B 166.20(12) . . ? 
C8B CoB C3B 130.76(10) . . ? 
C1B CoB C3B 68.53(10) . . ? 
C2B CoB C3B 40.13(12) . . ? 
C5B CoB C3B 67.33(12) . . ? 
C4B CoB C3B 39.60(13) . . ? 
C14B SiB C15B 110.16(16) . . ? 
C14B SiB C1B 109.59(13) . . ? 
C15B SiB C1B 110.78(14) . . ? 
C14B SiB C10B 111.96(15) . . ? 
C15B SiB C10B 108.95(15) . . ? 
C1B SiB C10B 105.31(11) . . ? 
C9B C6B C7B 89.5(2) . . ? 
C9B C6B C10B 135.7(2) . . ? 
C7B C6B C10B 134.6(2) . . ? 
C9B C6B CoB 68.79(13) . . ? 
C7B C6B CoB 68.64(14) . . ? 
C10B C6B CoB 117.36(17) . . ? 
C6B C9B C8B 90.2(2) . . ? 
C6B C9B C13B 134.3(2) . . ? 
C8B C9B C13B 134.6(2) . . ? 
C6B C9B CoB 67.66(13) . . ? 
C8B C9B CoB 69.23(13) . . ? 
C13B C9B CoB 128.21(19) . . ? 
C7B C8B C9B 89.9(2) . . ? 
C7B C8B C12B 133.7(2) . . ? 
C9B C8B C12B 134.9(2) . . ? 
C7B C8B CoB 67.68(14) . . ? 
C9B C8B CoB 67.57(13) . . ? 
C12B C8B CoB 131.73(19) . . ? 
C8B C7B C6B 90.4(2) . . ? 
C8B C7B C11B 133.6(3) . . ? 
C6B C7B C11B 135.3(3) . . ? 
C8B C7B CoB 69.44(14) . . ? 
C6B C7B CoB 67.60(13) . . ? 
C11B C7B CoB 127.5(2) . . ? 
C6B C10B SiB 110.93(18) . . ? 
C6B C10B H10C 109.5 . . ? 
SiB C10B H10C 109.5 . . ? 
C6B C10B H10D 109.5 . . ? 
SiB C10B H10D 109.5 . . ? 
H10C C10B H10D 108.0 . . ? 
C9B C13B H13D 109.5 . . ? 
C9B C13B H13E 109.5 . . ? 
H13D C13B H13E 109.5 . . ? 
C9B C13B H13F 109.5 . . ? 
H13D C13B H13F 109.5 . . ? 
H13E C13B H13F 109.5 . . ? 
C8B C12B H12D 109.5 . . ? 
C8B C12B H12E 109.5 . . ? 
H12D C12B H12E 109.5 . . ? 
C8B C12B H12F 109.5 . . ? 
H12D C12B H12F 109.5 . . ? 
H12E C12B H12F 109.5 . . ? 
C7B C11B H11D 109.5 . . ? 
C7B C11B H11E 109.5 . . ? 
H11D C11B H11E 109.5 . . ? 
C7B C11B H11F 109.5 . . ? 
H11D C11B H11F 109.5 . . ? 
H11E C11B H11F 109.5 . . ? 
SiB C15B H15D 109.5 . . ? 
SiB C15B H15E 109.5 . . ? 
H15D C15B H15E 109.5 . . ? 
SiB C15B H15F 109.5 . . ? 
H15D C15B H15F 109.5 . . ? 
H15E C15B H15F 109.5 . . ? 
SiB C14B H14D 109.5 . . ? 
SiB C14B H14E 109.5 . . ? 
H14D C14B H14E 109.5 . . ? 
SiB C14B H14F 109.5 . . ? 
H14D C14B H14F 109.5 . . ? 
H14E C14B H14F 109.5 . . ? 
C5B C1B C2B 106.4(2) . . ? 
C5B C1B SiB 125.68(19) . . ? 
C2B C1B SiB 123.4(2) . . ? 
C5B C1B CoB 70.15(14) . . ? 
C2B C1B CoB 69.91(13) . . ? 
SiB C1B CoB 105.80(12) . . ? 
C4B C5B C1B 108.9(2) . . ? 
C4B C5B CoB 71.38(16) . . ? 
C1B C5B CoB 68.82(14) . . ? 
C4B C5B H5BA 125.6 . . ? 
C1B C5B H5BA 125.6 . . ? 
CoB C5B H5BA 125.6 . . ? 
C3B C4B C5B 107.9(3) . . ? 
C3B C4B CoB 70.20(17) . . ? 
C5B C4B CoB 68.42(15) . . ? 
C3B C4B H4BA 126.0 . . ? 
C5B C4B H4BA 126.0 . . ? 
CoB C4B H4BA 126.0 . . ? 
C4B C3B C2B 108.2(2) . . ? 
C4B C3B CoB 70.20(15) . . ? 
C2B C3B CoB 68.32(15) . . ? 
C4B C3B H3BA 125.9 . . ? 
C2B C3B H3BA 125.9 . . ? 
CoB C3B H3BA 125.9 . . ? 
C3B C2B C1B 108.7(3) . . ? 
C3B C2B CoB 71.55(15) . . ? 
C1B C2B CoB 68.84(13) . . ? 
C3B C2B H2BA 125.7 . . ? 
C1B C2B H2BA 125.7 . . ? 
CoB C2B H2BA 125.7 . . ? 
 
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
C7A CoA C6A C9A -98.1(2) . . . . ? 
C8A CoA C6A C9A -48.90(17) . . . . ? 
C1A CoA C6A C9A 137.53(17) . . . . ? 
C5A CoA C6A C9A 97.24(17) . . . . ? 
C2A CoA C6A C9A 174.08(16) . . . . ? 
C4A CoA C6A C9A 76.5(3) . . . . ? 
C3A CoA C6A C9A -178.3(3) . . . . ? 
C9A CoA C6A C7A 98.1(2) . . . . ? 
C8A CoA C6A C7A 49.15(16) . . . . ? 
C1A CoA C6A C7A -124.41(16) . . . . ? 
C5A CoA C6A C7A -164.71(15) . . . . ? 
C2A CoA C6A C7A -87.87(17) . . . . ? 
C4A CoA C6A C7A 174.59(19) . . . . ? 
C3A CoA C6A C7A -80.2(4) . . . . ? 
C7A CoA C6A C10A 132.9(3) . . . . ? 
C9A CoA C6A C10A -129.1(3) . . . . ? 
C8A CoA C6A C10A -178.0(3) . . . . ? 
C1A CoA C6A C10A 8.5(2) . . . . ? 
C5A CoA C6A C10A -31.8(3) . . . . ? 
C2A CoA C6A C10A 45.0(3) . . . . ? 
C4A CoA C6A C10A -52.5(3) . . . . ? 
C3A CoA C6A C10A 52.7(4) . . . . ? 
C9A C6A C7A C8A 0.0(2) . . . . ? 
C10A C6A C7A C8A -173.9(3) . . . . ? 
CoA C6A C7A C8A -67.54(14) . . . . ? 
C9A C6A C7A C11A -168.0(3) . . . . ? 
C10A C6A C7A C11A 18.0(5) . . . . ? 
CoA C6A C7A C11A 124.4(4) . . . . ? 
C9A C6A C7A CoA 67.54(14) . . . . ? 
C10A C6A C7A CoA -106.4(3) . . . . ? 
C6A CoA C7A C8A 98.8(2) . . . . ? 
C9A CoA C7A C8A 48.80(16) . . . . ? 
C1A CoA C7A C8A 168.26(15) . . . . ? 
C5A CoA C7A C8A 131.4(2) . . . . ? 
C2A CoA C7A C8A -147.27(16) . . . . ? 
C4A CoA C7A C8A -70.1(5) . . . . ? 
C3A CoA C7A C8A -106.29(18) . . . . ? 
C9A CoA C7A C6A -50.01(16) . . . . ? 
C8A CoA C7A C6A -98.8(2) . . . . ? 
C1A CoA C7A C6A 69.45(18) . . . . ? 
C5A CoA C7A C6A 32.6(3) . . . . ? 
C2A CoA C7A C6A 113.92(16) . . . . ? 
C4A CoA C7A C6A -168.9(4) . . . . ? 
C3A CoA C7A C6A 154.90(15) . . . . ? 
C6A CoA C7A C11A -130.6(3) . . . . ? 
C9A CoA C7A C11A 179.4(3) . . . . ? 
C8A CoA C7A C11A 130.6(4) . . . . ? 
C1A CoA C7A C11A -61.1(3) . . . . ? 
C5A CoA C7A C11A -97.9(4) . . . . ? 
C2A CoA C7A C11A -16.7(3) . . . . ? 
C4A CoA C7A C11A 60.5(6) . . . . ? 
C3A CoA C7A C11A 24.3(3) . . . . ? 
C6A C7A C8A C9A 0.0(2) . . . . ? 
C11A C7A C8A C9A 168.2(3) . . . . ? 
CoA C7A C8A C9A -65.80(14) . . . . ? 
C6A C7A C8A C12A -168.8(3) . . . . ? 
C11A C7A C8A C12A -0.6(5) . . . . ? 
CoA C7A C8A C12A 125.4(3) . . . . ? 
C6A C7A C8A CoA 65.79(14) . . . . ? 
C11A C7A C8A CoA -126.0(4) . . . . ? 
C6A CoA C8A C9A 49.74(16) . . . . ? 
C7A CoA C8A C9A 100.0(2) . . . . ? 
C1A CoA C8A C9A 68.7(4) . . . . ? 
C5A CoA C8A C9A -38.8(3) . . . . ? 
C2A CoA C8A C9A 156.26(17) . . . . ? 
C4A CoA C8A C9A -97.66(18) . . . . ? 
C3A CoA C8A C9A -149.18(16) . . . . ? 
C6A CoA C8A C7A -50.30(17) . . . . ? 
C9A CoA C8A C7A -100.0(2) . . . . ? 
C1A CoA C8A C7A -31.3(4) . . . . ? 
C5A CoA C8A C7A -138.9(2) . . . . ? 
C2A CoA C8A C7A 56.2(2) . . . . ? 
C4A CoA C8A C7A 162.30(16) . . . . ? 
C3A CoA C8A C7A 110.78(18) . . . . ? 
C6A CoA C8A C12A 180.0(3) . . . . ? 
C7A CoA C8A C12A -129.7(4) . . . . ? 
C9A CoA C8A C12A 130.2(4) . . . . ? 
C1A CoA C8A C12A -161.1(3) . . . . ? 
C5A CoA C8A C12A 91.4(4) . . . . ? 
C2A CoA C8A C12A -73.5(4) . . . . ? 
C4A CoA C8A C12A 32.6(4) . . . . ? 
C3A CoA C8A C12A -18.9(4) . . . . ? 
C7A C8A C9A C6A 0.0(2) . . . . ? 
C12A C8A C9A C6A 168.8(3) . . . . ? 
CoA C8A C9A C6A -65.70(14) . . . . ? 
C7A C8A C9A C13A -169.8(3) . . . . ? 
C12A C8A C9A C13A -1.0(5) . . . . ? 
CoA C8A C9A C13A 124.5(3) . . . . ? 
C7A C8A C9A CoA 65.70(14) . . . . ? 
C12A C8A C9A CoA -125.5(3) . . . . ? 
C7A C6A C9A C8A 0.0(2) . . . . ? 
C10A C6A C9A C8A 174.3(3) . . . . ? 
CoA C6A C9A C8A 67.32(14) . . . . ? 
C7A C6A C9A C13A 169.9(3) . . . . ? 
C10A C6A C9A C13A -15.7(5) . . . . ? 
CoA C6A C9A C13A -122.7(3) . . . . ? 
C7A C6A C9A CoA -67.32(14) . . . . ? 
C10A C6A C9A CoA 107.0(3) . . . . ? 
C6A CoA C9A C8A -99.4(2) . . . . ? 
C7A CoA C9A C8A -48.94(16) . . . . ? 
C1A CoA C9A C8A -156.47(15) . . . . ? 
C5A CoA C9A C8A 159.76(15) . . . . ? 
C2A CoA C9A C8A -118.0(4) . . . . ? 
C4A CoA C9A C8A 116.20(16) . . . . ? 
C3A CoA C9A C8A 79.2(3) . . . . ? 
C7A CoA C9A C6A 50.47(16) . . . . ? 
C8A CoA C9A C6A 99.4(2) . . . . ? 
C1A CoA C9A C6A -57.1(2) . . . . ? 
C5A CoA C9A C6A -100.83(17) . . . . ? 
C2A CoA C9A C6A -18.6(5) . . . . ? 
C4A CoA C9A C6A -144.39(16) . . . . ? 
C3A CoA C9A C6A 178.6(2) . . . . ? 
C6A CoA C9A C13A 129.1(4) . . . . ? 
C7A CoA C9A C13A 179.6(3) . . . . ? 
C8A CoA C9A C13A -131.5(4) . . . . ? 
C1A CoA C9A C13A 72.0(3) . . . . ? 
C5A CoA C9A C13A 28.3(3) . . . . ? 
C2A CoA C9A C13A 110.5(4) . . . . ? 
C4A CoA C9A C13A -15.3(3) . . . . ? 
C3A CoA C9A C13A -52.3(4) . . . . ? 
C9A C6A C10A SiA -106.4(3) . . . . ? 
C7A C6A C10A SiA 65.3(4) . . . . ? 
CoA C6A C10A SiA -21.1(3) . . . . ? 
C15A SiA C10A C6A -92.5(2) . . . . ? 
C14A SiA C10A C6A 145.7(2) . . . . ? 
C1A SiA C10A C6A 24.8(3) . . . . ? 
C15A SiA C1A C5A 176.3(2) . . . . ? 
C14A SiA C1A C5A -62.0(3) . . . . ? 
C10A SiA C1A C5A 57.3(2) . . . . ? 
C15A SiA C1A C2A 25.1(3) . . . . ? 
C14A SiA C1A C2A 146.7(2) . . . . ? 
C10A SiA C1A C2A -93.9(2) . . . . ? 
C15A SiA C1A CoA 101.16(15) . . . . ? 
C14A SiA C1A CoA -137.21(15) . . . . ? 
C10A SiA C1A CoA -17.86(17) . . . . ? 
C6A CoA C1A C5A -114.70(16) . . . . ? 
C7A CoA C1A C5A -155.68(15) . . . . ? 
C9A CoA C1A C5A -78.97(18) . . . . ? 
C8A CoA C1A C5A -131.7(3) . . . . ? 
C2A CoA C1A C5A 116.3(2) . . . . ? 
C4A CoA C1A C5A 37.25(15) . . . . ? 
C3A CoA C1A C5A 79.64(16) . . . . ? 
C6A CoA C1A C2A 129.00(16) . . . . ? 
C7A CoA C1A C2A 88.02(18) . . . . ? 
C9A CoA C1A C2A 164.73(16) . . . . ? 
C8A CoA C1A C2A 112.0(3) . . . . ? 
C5A CoA C1A C2A -116.3(2) . . . . ? 
C4A CoA C1A C2A -79.05(16) . . . . ? 
C3A CoA C1A C2A -36.66(16) . . . . ? 
C6A CoA C1A SiA 7.58(15) . . . . ? 
C7A CoA C1A SiA -33.41(17) . . . . ? 
C9A CoA C1A SiA 43.31(18) . . . . ? 
C8A CoA C1A SiA -9.4(4) . . . . ? 
C5A CoA C1A SiA 122.3(2) . . . . ? 
C2A CoA C1A SiA -121.4(2) . . . . ? 
C4A CoA C1A SiA 159.53(16) . . . . ? 
C3A CoA C1A SiA -158.09(16) . . . . ? 
C5A C1A C2A C3A -0.2(3) . . . . ? 
SiA C1A C2A C3A 155.64(19) . . . . ? 
CoA C1A C2A C3A 60.49(18) . . . . ? 
C5A C1A C2A CoA -60.71(17) . . . . ? 
SiA C1A C2A CoA 95.15(18) . . . . ? 
C6A CoA C2A C3A 176.07(16) . . . . ? 
C7A CoA C2A C3A 128.38(17) . . . . ? 
C9A CoA C2A C3A -169.1(4) . . . . ? 
C8A CoA C2A C3A 91.2(2) . . . . ? 
C1A CoA C2A C3A -120.1(2) . . . . ? 
C5A CoA C2A C3A -80.50(17) . . . . ? 
C4A CoA C2A C3A -36.58(16) . . . . ? 
C6A CoA C2A C1A -63.83(19) . . . . ? 
C7A CoA C2A C1A -111.52(16) . . . . ? 
C9A CoA C2A C1A -49.0(5) . . . . ? 
C8A CoA C2A C1A -148.73(17) . . . . ? 
C5A CoA C2A C1A 39.60(15) . . . . ? 
C4A CoA C2A C1A 83.52(16) . . . . ? 
C3A CoA C2A C1A 120.1(2) . . . . ? 
C1A C2A C3A C4A 0.0(3) . . . . ? 
CoA C2A C3A C4A 58.67(18) . . . . ? 
C1A C2A C3A CoA -58.63(17) . . . . ? 
C6A CoA C3A C4A -130.3(3) . . . . ? 
C7A CoA C3A C4A 166.80(15) . . . . ? 
C9A CoA C3A C4A 52.6(3) . . . . ? 
C8A CoA C3A C4A 110.64(17) . . . . ? 
C1A CoA C3A C4A -82.38(16) . . . . ? 
C5A CoA C3A C4A -37.73(15) . . . . ? 
C2A CoA C3A C4A -120.0(2) . . . . ? 
C6A CoA C3A C2A -10.3(4) . . . . ? 
C7A CoA C3A C2A -73.2(2) . . . . ? 
C9A CoA C3A C2A 172.7(2) . . . . ? 
C8A CoA C3A C2A -129.33(17) . . . . ? 
C1A CoA C3A C2A 37.65(16) . . . . ? 
C5A CoA C3A C2A 82.30(17) . . . . ? 
C4A CoA C3A C2A 120.0(2) . . . . ? 
C2A C3A C4A C5A 0.2(3) . . . . ? 
CoA C3A C4A C5A 57.91(17) . . . . ? 
C2A C3A C4A CoA -57.76(18) . . . . ? 
C6A CoA C4A C3A 149.8(2) . . . . ? 
C7A CoA C4A C3A -45.7(5) . . . . ? 
C9A CoA C4A C3A -157.03(16) . . . . ? 
C8A CoA C4A C3A -103.40(18) . . . . ? 
C1A CoA C4A C3A 81.56(16) . . . . ? 
C5A CoA C4A C3A 119.5(2) . . . . ? 
C2A CoA C4A C3A 37.12(15) . . . . ? 
C6A CoA C4A C5A 30.3(3) . . . . ? 
C7A CoA C4A C5A -165.2(4) . . . . ? 
C9A CoA C4A C5A 83.46(19) . . . . ? 
C8A CoA C4A C5A 137.10(17) . . . . ? 
C1A CoA C4A C5A -37.95(16) . . . . ? 
C2A CoA C4A C5A -82.39(17) . . . . ? 
C3A CoA C4A C5A -119.5(2) . . . . ? 
C3A C4A C5A C1A -0.3(3) . . . . ? 
CoA C4A C5A C1A 59.47(17) . . . . ? 
C3A C4A C5A CoA -59.77(18) . . . . ? 
C2A C1A C5A C4A 0.3(3) . . . . ? 
SiA C1A C5A C4A -155.28(19) . . . . ? 
CoA C1A C5A C4A -60.93(18) . . . . ? 
C2A C1A C5A CoA 61.24(17) . . . . ? 
SiA C1A C5A CoA -94.35(18) . . . . ? 
C6A CoA C5A C4A -164.14(16) . . . . ? 
C7A CoA C5A C4A 172.0(2) . . . . ? 
C9A CoA C5A C4A -117.18(17) . . . . ? 
C8A CoA C5A C4A -90.0(2) . . . . ? 
C1A CoA C5A C4A 119.5(2) . . . . ? 
C2A CoA C5A C4A 80.10(17) . . . . ? 
C3A CoA C5A C4A 36.74(16) . . . . ? 
C6A CoA C5A C1A 76.31(17) . . . . ? 
C7A CoA C5A C1A 52.5(3) . . . . ? 
C9A CoA C5A C1A 123.27(15) . . . . ? 
C8A CoA C5A C1A 150.41(19) . . . . ? 
C2A CoA C5A C1A -39.45(14) . . . . ? 
C4A CoA C5A C1A -119.5(2) . . . . ? 
C3A CoA C5A C1A -82.80(16) . . . . ? 
C7B CoB C6B C9B 98.12(19) . . . . ? 
C8B CoB C6B C9B 49.27(14) . . . . ? 
C1B CoB C6B C9B -125.08(14) . . . . ? 
C2B CoB C6B C9B -165.25(14) . . . . ? 
C5B CoB C6B C9B -88.35(16) . . . . ? 
C4B CoB C6B C9B -80.2(3) . . . . ? 
C3B CoB C6B C9B 175.1(2) . . . . ? 
C9B CoB C6B C7B -98.12(19) . . . . ? 
C8B CoB C6B C7B -48.85(15) . . . . ? 
C1B CoB C6B C7B 136.80(15) . . . . ? 
C2B CoB C6B C7B 96.63(16) . . . . ? 
C5B CoB C6B C7B 173.53(14) . . . . ? 
C4B CoB C6B C7B -178.3(3) . . . . ? 
C3B CoB C6B C7B 76.9(3) . . . . ? 
C7B CoB C6B C10B -130.3(3) . . . . ? 
C9B CoB C6B C10B 131.6(3) . . . . ? 
C8B CoB C6B C10B -179.1(2) . . . . ? 
C1B CoB C6B C10B 6.5(2) . . . . ? 
C2B CoB C6B C10B -33.6(2) . . . . ? 
C5B CoB C6B C10B 43.3(2) . . . . ? 
C4B CoB C6B C10B 51.4(4) . . . . ? 
C3B CoB C6B C10B -53.3(3) . . . . ? 
C7B C6B C9B C8B -0.13(19) . . . . ? 
C10B C6B C9B C8B -175.3(3) . . . . ? 
CoB C6B C9B C8B -67.35(13) . . . . ? 
C7B C6B C9B C13B -170.5(3) . . . . ? 
C10B C6B C9B C13B 14.3(5) . . . . ? 
CoB C6B C9B C13B 122.2(3) . . . . ? 
C7B C6B C9B CoB 67.22(13) . . . . ? 
C10B C6B C9B CoB -107.9(3) . . . . ? 
C7B CoB C9B C6B -50.30(14) . . . . ? 
C8B CoB C9B C6B -99.23(19) . . . . ? 
C1B CoB C9B C6B 68.48(16) . . . . ? 
C2B CoB C9B C6B 31.3(3) . . . . ? 
C5B CoB C9B C6B 112.86(15) . . . . ? 
C4B CoB C9B C6B 154.08(15) . . . . ? 
C3B CoB C9B C6B -169.6(4) . . . . ? 
C6B CoB C9B C8B 99.23(19) . . . . ? 
C7B CoB C9B C8B 48.93(15) . . . . ? 
C1B CoB C9B C8B 167.72(15) . . . . ? 
C2B CoB C9B C8B 130.6(2) . . . . ? 
C5B CoB C9B C8B -147.90(15) . . . . ? 
C4B CoB C9B C8B -106.68(17) . . . . ? 
C3B CoB C9B C8B -70.4(5) . . . . ? 
C6B CoB C9B C13B -129.6(3) . . . . ? 
C7B CoB C9B C13B -179.9(3) . . . . ? 
C8B CoB C9B C13B 131.1(3) . . . . ? 
C1B CoB C9B C13B -61.2(3) . . . . ? 
C2B CoB C9B C13B -98.3(3) . . . . ? 
C5B CoB C9B C13B -16.8(3) . . . . ? 
C4B CoB C9B C13B 24.4(3) . . . . ? 
C3B CoB C9B C13B 60.8(6) . . . . ? 
C6B C9B C8B C7B 0.13(19) . . . . ? 
C13B C9B C8B C7B 170.5(3) . . . . ? 
CoB C9B C8B C7B -65.79(14) . . . . ? 
C6B C9B C8B C12B -166.8(3) . . . . ? 
C13B C9B C8B C12B 3.5(5) . . . . ? 
CoB C9B C8B C12B 127.3(3) . . . . ? 
C6B C9B C8B CoB 65.92(13) . . . . ? 
C13B C9B C8B CoB -123.7(3) . . . . ? 
C6B CoB C8B C7B 49.93(15) . . . . ? 
C9B CoB C8B C7B 99.6(2) . . . . ? 
C1B CoB C8B C7B 66.6(3) . . . . ? 
C2B CoB C8B C7B -39.3(3) . . . . ? 
C5B CoB C8B C7B 155.21(17) . . . . ? 
C4B CoB C8B C7B -149.60(17) . . . . ? 
C3B CoB C8B C7B -97.6(2) . . . . ? 
C6B CoB C8B C9B -49.69(15) . . . . ? 
C7B CoB C8B C9B -99.6(2) . . . . ? 
C1B CoB C8B C9B -33.0(4) . . . . ? 
C2B CoB C8B C9B -139.0(2) . . . . ? 
C5B CoB C8B C9B 55.6(2) . . . . ? 
C4B CoB C8B C9B 110.77(18) . . . . ? 
C3B CoB C8B C9B 162.74(17) . . . . ? 
C6B CoB C8B C12B 179.3(3) . . . . ? 
C7B CoB C8B C12B 129.4(3) . . . . ? 
C9B CoB C8B C12B -131.0(3) . . . . ? 
C1B CoB C8B C12B -164.0(3) . . . . ? 
C2B CoB C8B C12B 90.1(3) . . . . ? 
C5B CoB C8B C12B -75.4(3) . . . . ? 
C4B CoB C8B C12B -20.2(3) . . . . ? 
C3B CoB C8B C12B 31.8(3) . . . . ? 
C9B C8B C7B C6B -0.13(19) . . . . ? 
C12B C8B C7B C6B 167.1(3) . . . . ? 
CoB C8B C7B C6B -65.82(13) . . . . ? 
C9B C8B C7B C11B -171.6(3) . . . . ? 
C12B C8B C7B C11B -4.4(5) . . . . ? 
CoB C8B C7B C11B 122.7(3) . . . . ? 
C9B C8B C7B CoB 65.69(13) . . . . ? 
C12B C8B C7B CoB -127.1(3) . . . . ? 
C9B C6B C7B C8B 0.13(19) . . . . ? 
C10B C6B C7B C8B 175.4(3) . . . . ? 
CoB C6B C7B C8B 67.49(14) . . . . ? 
C9B C6B C7B C11B 171.3(3) . . . . ? 
C10B C6B C7B C11B -13.4(5) . . . . ? 
CoB C6B C7B C11B -121.3(3) . . . . ? 
C9B C6B C7B CoB -67.36(13) . . . . ? 
C10B C6B C7B CoB 107.9(3) . . . . ? 
C6B CoB C7B C8B -99.37(19) . . . . ? 
C9B CoB C7B C8B -49.33(14) . . . . ? 
C1B CoB C7B C8B -157.10(14) . . . . ? 
C2B CoB C7B C8B 159.24(14) . . . . ? 
C5B CoB C7B C8B -119.0(4) . . . . ? 
C4B CoB C7B C8B 79.2(3) . . . . ? 
C3B CoB C7B C8B 116.27(16) . . . . ? 
C9B CoB C7B C6B 50.04(14) . . . . ? 
C8B CoB C7B C6B 99.37(19) . . . . ? 
C1B CoB C7B C6B -57.73(18) . . . . ? 
C2B CoB C7B C6B -101.39(15) . . . . ? 
C5B CoB C7B C6B -19.6(4) . . . . ? 
C4B CoB C7B C6B 178.6(3) . . . . ? 
C3B CoB C7B C6B -144.36(15) . . . . ? 
C6B CoB C7B C11B 130.8(3) . . . . ? 
C9B CoB C7B C11B -179.2(3) . . . . ? 
C8B CoB C7B C11B -129.8(3) . . . . ? 
C1B CoB C7B C11B 73.1(3) . . . . ? 
C2B CoB C7B C11B 29.4(3) . . . . ? 
C5B CoB C7B C11B 111.2(4) . . . . ? 
C4B CoB C7B C11B -50.6(4) . . . . ? 
C3B CoB C7B C11B -13.6(3) . . . . ? 
C9B C6B C10B SiB 71.5(3) . . . . ? 
C7B C6B C10B SiB -101.8(3) . . . . ? 
CoB C6B C10B SiB -15.5(3) . . . . ? 
C14B SiB C10B C6B -101.1(2) . . . . ? 
C15B SiB C10B C6B 136.8(2) . . . . ? 
C1B SiB C10B C6B 17.9(2) . . . . ? 
C14B SiB C1B C5B 31.2(3) . . . . ? 
C15B SiB C1B C5B 153.0(2) . . . . ? 
C10B SiB C1B C5B -89.4(2) . . . . ? 
C14B SiB C1B C2B -176.1(2) . . . . ? 
C15B SiB C1B C2B -54.3(2) . . . . ? 
C10B SiB C1B C2B 63.3(2) . . . . ? 
C14B SiB C1B CoB 107.87(16) . . . . ? 
C15B SiB C1B CoB -130.37(14) . . . . ? 
C10B SiB C1B CoB -12.72(15) . . . . ? 
C6B CoB C1B C5B 128.03(16) . . . . ? 
C7B CoB C1B C5B 164.21(15) . . . . ? 
C9B CoB C1B C5B 87.73(17) . . . . ? 
C8B CoB C1B C5B 113.1(3) . . . . ? 
C2B CoB C1B C5B -116.8(2) . . . . ? 
C4B CoB C1B C5B -37.01(16) . . . . ? 
C3B CoB C1B C5B -79.70(18) . . . . ? 
C6B CoB C1B C2B -115.16(17) . . . . ? 
C7B CoB C1B C2B -78.99(19) . . . . ? 
C9B CoB C1B C2B -155.47(16) . . . . ? 
C8B CoB C1B C2B -130.1(3) . . . . ? 
C5B CoB C1B C2B 116.8(2) . . . . ? 
C4B CoB C1B C2B 79.79(19) . . . . ? 
C3B CoB C1B C2B 37.10(18) . . . . ? 
C6B CoB C1B SiB 5.20(13) . . . . ? 
C7B CoB C1B SiB 41.37(17) . . . . ? 
C9B CoB C1B SiB -35.11(16) . . . . ? 
C8B CoB C1B SiB -9.8(4) . . . . ? 
C2B CoB C1B SiB 120.4(2) . . . . ? 
C5B CoB C1B SiB -122.84(19) . . . . ? 
C4B CoB C1B SiB -159.84(16) . . . . ? 
C3B CoB C1B SiB 157.46(17) . . . . ? 
C2B C1B C5B C4B -0.5(3) . . . . ? 
SiB C1B C5B C4B 155.95(19) . . . . ? 
CoB C1B C5B C4B 60.38(18) . . . . ? 
C2B C1B C5B CoB -60.88(17) . . . . ? 
SiB C1B C5B CoB 95.58(18) . . . . ? 
C6B CoB C5B C4B 175.70(17) . . . . ? 
C7B CoB C5B C4B -168.7(3) . . . . ? 
C9B CoB C5B C4B 128.45(18) . . . . ? 
C8B CoB C5B C4B 91.4(2) . . . . ? 
C1B CoB C5B C4B -119.8(2) . . . . ? 
C2B CoB C5B C4B -80.43(19) . . . . ? 
C3B CoB C5B C4B -36.93(18) . . . . ? 
C6B CoB C5B C1B -64.52(18) . . . . ? 
C7B CoB C5B C1B -48.9(4) . . . . ? 
C9B CoB C5B C1B -111.77(16) . . . . ? 
C8B CoB C5B C1B -148.80(17) . . . . ? 
C2B CoB C5B C1B 39.35(15) . . . . ? 
C4B CoB C5B C1B 119.8(2) . . . . ? 
C3B CoB C5B C1B 82.85(17) . . . . ? 
C1B C5B C4B C3B 0.5(3) . . . . ? 
CoB C5B C4B C3B 59.30(19) . . . . ? 
C1B C5B C4B CoB -58.80(17) . . . . ? 
C6B CoB C4B C3B -130.6(3) . . . . ? 
C7B CoB C4B C3B 52.4(3) . . . . ? 
C9B CoB C4B C3B 167.19(15) . . . . ? 
C8B CoB C4B C3B 110.63(18) . . . . ? 
C1B CoB C4B C3B -81.84(17) . . . . ? 
C2B CoB C4B C3B -37.19(16) . . . . ? 
C5B CoB C4B C3B -119.6(2) . . . . ? 
C6B CoB C4B C5B -11.0(4) . . . . ? 
C7B CoB C4B C5B 171.9(2) . . . . ? 
C9B CoB C4B C5B -73.2(2) . . . . ? 
C8B CoB C4B C5B -129.79(17) . . . . ? 
C1B CoB C4B C5B 37.75(16) . . . . ? 
C2B CoB C4B C5B 82.39(17) . . . . ? 
C3B CoB C4B C5B 119.6(2) . . . . ? 
C5B C4B C3B C2B -0.3(3) . . . . ? 
CoB C4B C3B C2B 57.89(19) . . . . ? 
C5B C4B C3B CoB -58.19(18) . . . . ? 
C6B CoB C3B C4B 148.9(2) . . . . ? 
C7B CoB C3B C4B -157.49(16) . . . . ? 
C9B CoB C3B C4B -45.5(5) . . . . ? 
C8B CoB C3B C4B -103.82(19) . . . . ? 
C1B CoB C3B C4B 81.89(17) . . . . ? 
C2B CoB C3B C4B 120.0(2) . . . . ? 
C5B CoB C3B C4B 37.47(16) . . . . ? 
C6B CoB C3B C2B 28.9(3) . . . . ? 
C7B CoB C3B C2B 82.52(19) . . . . ? 
C9B CoB C3B C2B -165.5(4) . . . . ? 
C8B CoB C3B C2B 136.19(17) . . . . ? 
C1B CoB C3B C2B -38.11(17) . . . . ? 
C5B CoB C3B C2B -82.53(18) . . . . ? 
C4B CoB C3B C2B -120.0(2) . . . . ? 
C4B C3B C2B C1B 0.0(3) . . . . ? 
CoB C3B C2B C1B 59.04(18) . . . . ? 
C4B C3B C2B CoB -59.05(19) . . . . ? 
C5B C1B C2B C3B 0.3(3) . . . . ? 
SiB C1B C2B C3B -156.81(19) . . . . ? 
CoB C1B C2B C3B -60.72(18) . . . . ? 
C5B C1B C2B CoB 61.04(17) . . . . ? 
SiB C1B C2B CoB -96.09(17) . . . . ? 
C6B CoB C2B C3B -164.82(18) . . . . ? 
C7B CoB C2B C3B -117.70(19) . . . . ? 
C9B CoB C2B C3B 172.4(2) . . . . ? 
C8B CoB C2B C3B -90.3(3) . . . . ? 
C1B CoB C2B C3B 119.4(3) . . . . ? 
C5B CoB C2B C3B 80.29(19) . . . . ? 
C4B CoB C2B C3B 36.72(18) . . . . ? 
C6B CoB C2B C1B 75.76(18) . . . . ? 
C7B CoB C2B C1B 122.87(16) . . . . ? 
C9B CoB C2B C1B 53.0(3) . . . . ? 
C8B CoB C2B C1B 150.26(19) . . . . ? 
C5B CoB C2B C1B -39.14(16) . . . . ? 
C4B CoB C2B C1B -82.71(18) . . . . ? 
C3B CoB C2B C1B -119.4(3) . . . . ? 
 
_diffrn_measured_fraction_theta_max     .973 
_diffrn_reflns_theta_full              27.50 
_diffrn_measured_fraction_theta_full    .973 
_refine_diff_density_max     .908 
_refine_diff_density_min    -.377 
_refine_diff_density_rms     .090 



