 
data_exp736
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C162 H156 Au6 B2 Cl4 P8' 
_chemical_formula_weight          3695.85 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'B'  'B'   0.0013   0.0007 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Au'  'Au'  -2.0133   8.8022 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.1484   0.1585 
 '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                    16.2050(11) 
_cell_length_b                    20.8466(14) 
_cell_length_c                    22.6928(15) 
_cell_angle_alpha                 83.4380(10) 
_cell_angle_beta                  77.3990(10) 
_cell_angle_gamma                 81.5110(10) 
_cell_volume                      7372.6(9) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     90 
_cell_measurement_reflns_used    6719
_cell_measurement_theta_min        2.39
_cell_measurement_theta_max       24.63
_exptl_crystal_description        'prism'
_exptl_crystal_colour             'brownish red'
_exptl_crystal_size_max           0.48 
_exptl_crystal_size_mid           0.24 
_exptl_crystal_size_min           0.19 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.665 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              3600 
_exptl_absorpt_coefficient_mu     6.157 
_exptl_absorpt_correction_type    empirical
_exptl_absorpt_correction_T_min   0.1561 
_exptl_absorpt_correction_T_max   0.3875 
_exptl_absorpt_process_details    
;
SADABS Sheldrick 1996
;
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       90 
_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 APEXII CCD area detector' 
_diffrn_measurement_method        'phi and omega scans' 
_diffrn_detector_area_resol_mean  8.333
_diffrn_reflns_number             35350 
_diffrn_reflns_av_R_equivalents   0.0362 
_diffrn_reflns_av_sigmaI/netI     0.0906 
_diffrn_reflns_limit_h_min        -19 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -24 
_diffrn_reflns_limit_k_max        24 
_diffrn_reflns_limit_l_min        -27 
_diffrn_reflns_limit_l_max        20 
_diffrn_reflns_theta_min          0.92 
_diffrn_reflns_theta_max          25.03 
_reflns_number_total              25536 
_reflns_number_gt                 16938 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement        'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction         'SAINT (Bruker AXS, 2004)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'XSHEL (Bruker AXS,2002)'
_computing_publication_material   'XCIF (Bruker AXS, 2001)' 
_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)+(0.1468P)²+78.4427P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          25536 
_refine_ls_number_parameters      1788 
_refine_ls_number_restraints      2920 
_refine_ls_R_factor_all           0.1133 
_refine_ls_R_factor_gt            0.0697 
_refine_ls_wR_factor_ref          0.2340 
_refine_ls_wR_factor_gt           0.1921 
_refine_ls_goodness_of_fit_ref    0.974 
_refine_ls_restrained_S_all       0.940 
_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 
C1P C -0.2851(7) 0.8542(7) 0.3549(5) 0.055(4) Uani 1 1 d GU . . 
C2P C -0.2782(7) 0.7928(6) 0.3860(6) 0.057(4) Uani 1 1 d GU . . 
H2P H -0.2278 0.7631 0.3758 0.069 Uiso 1 1 calc R . . 
C3P C -0.3449(9) 0.7749(6) 0.4318(6) 0.061(4) Uani 1 1 d GU . . 
H3P H -0.3402 0.7329 0.4531 0.074 Uiso 1 1 calc R . . 
C4P C -0.4186(7) 0.8183(7) 0.4466(6) 0.069(4) Uani 1 1 d GU . . 
H4P H -0.4642 0.8060 0.4780 0.083 Uiso 1 1 calc R . . 
C5P C -0.4255(7) 0.8796(7) 0.4156(7) 0.077(4) Uani 1 1 d GU . . 
H5P H -0.4758 0.9093 0.4257 0.093 Uiso 1 1 calc R . . 
C6P C -0.3588(9) 0.8976(5) 0.3697(6) 0.070(4) Uani 1 1 d GU . . 
H6P H -0.3635 0.9395 0.3484 0.084 Uiso 1 1 calc R . . 
Au1 Au 0.25871(4) 0.61572(3) 0.17666(3) 0.02930(16) Uani 1 1 d U . . 
Au2 Au 0.11368(4) 0.71150(3) 0.17677(3) 0.02814(15) Uani 1 1 d U . . 
Au3 Au 0.18129(4) 0.69199(3) 0.27181(3) 0.02873(16) Uani 1 1 d U . . 
Au4 Au 0.00463(4) 0.73338(3) 0.31070(3) 0.02889(16) Uani 1 1 d U . . 
Au5 Au 0.08092(4) 0.82453(3) 0.24435(3) 0.02746(15) Uani 1 1 d U . . 
Au6 Au -0.06777(4) 0.86196(3) 0.32882(3) 0.03385(17) Uani 1 1 d U . . 
C1A C 0.2320(10) 0.4947(9) 0.0957(8) 0.040(3) Uani 1 1 d U . . 
C2A C 0.2748(11) 0.4399(10) 0.0725(9) 0.050(3) Uani 1 1 d U . . 
H2A H 0.3005 0.4072 0.0979 0.060 Uiso 1 1 calc R . . 
C3A C 0.2815(13) 0.4307(11) 0.0139(10) 0.061(4) Uani 1 1 d U . . 
H3A H 0.3094 0.3913 -0.0024 0.073 Uiso 1 1 calc R . . 
C4A C 0.2461(13) 0.4810(11) -0.0217(10) 0.060(4) Uani 1 1 d U . . 
H4A H 0.2524 0.4755 -0.0635 0.072 Uiso 1 1 calc R . . 
C5A C 0.2039(12) 0.5365(10) -0.0016(9) 0.050(3) Uani 1 1 d U . . 
H5A H 0.1808 0.5701 -0.0276 0.060 Uiso 1 1 calc R . . 
C6A C 0.1958(11) 0.5420(9) 0.0588(8) 0.042(3) Uani 1 1 d U . . 
H6A H 0.1640 0.5800 0.0758 0.051 Uiso 1 1 calc R . . 
C1B C 0.2912(12) 0.4468(10) 0.2075(9) 0.052(3) Uani 1 1 d U . . 
C2B C 0.3691(11) 0.4555(9) 0.2137(8) 0.045(3) Uani 1 1 d U . . 
H2B H 0.3879 0.4968 0.2002 0.053 Uiso 1 1 calc R . . 
C3B C 0.4231(12) 0.4090(9) 0.2382(8) 0.047(3) Uani 1 1 d U . . 
H3B H 0.4759 0.4186 0.2446 0.057 Uiso 1 1 calc R . . 
C4B C 0.3998(14) 0.3496(11) 0.2530(10) 0.064(4) Uani 1 1 d U . . 
H4B H 0.4406 0.3141 0.2616 0.077 Uiso 1 1 calc R . . 
C5B C 0.3208(15) 0.3398(12) 0.2560(12) 0.077(4) Uani 1 1 d U . . 
H5B H 0.3022 0.2993 0.2733 0.092 Uiso 1 1 calc R . . 
C6B C 0.2625(15) 0.3900(12) 0.2331(11) 0.074(4) Uani 1 1 d U . . 
H6B H 0.2049 0.3836 0.2359 0.089 Uiso 1 1 calc R . . 
C1C C 0.4721(10) 0.5968(8) 0.1778(7) 0.034(3) Uani 1 1 d U . . 
C2C C 0.4573(11) 0.5979(9) 0.2396(8) 0.040(3) Uani 1 1 d U . . 
H2C H 0.4098 0.6254 0.2596 0.048 Uiso 1 1 calc R . . 
C3C C 0.5100(11) 0.5600(9) 0.2724(8) 0.043(3) Uani 1 1 d U . . 
H3C H 0.4988 0.5615 0.3152 0.051 Uiso 1 1 calc R . . 
C4C C 0.5791(11) 0.5195(9) 0.2450(8) 0.046(3) Uani 1 1 d U . . 
H4C H 0.6142 0.4922 0.2686 0.056 Uiso 1 1 calc R . . 
C5C C 0.5972(11) 0.5190(9) 0.1812(8) 0.046(3) Uani 1 1 d U . . 
H5C H 0.6448 0.4916 0.1611 0.055 Uiso 1 1 calc R . . 
C6C C 0.5439(10) 0.5595(8) 0.1484(8) 0.041(3) Uani 1 1 d U . . 
H6C H 0.5568 0.5615 0.1053 0.049 Uiso 1 1 calc R . . 
C1D C 0.4377(10) 0.6343(8) 0.0577(7) 0.034(3) Uani 1 1 d U . . 
C2D C 0.4957(10) 0.6710(8) 0.0192(7) 0.037(3) Uani 1 1 d U . . 
H2D H 0.5164 0.7045 0.0349 0.044 Uiso 1 1 calc R . . 
C3D C 0.5240(11) 0.6603(9) -0.0410(8) 0.042(3) Uani 1 1 d U . . 
H3D H 0.5636 0.6861 -0.0664 0.050 Uiso 1 1 calc R . . 
C4D C 0.4952(11) 0.6132(9) -0.0635(8) 0.046(3) Uani 1 1 d U . . 
H4D H 0.5142 0.6064 -0.1052 0.055 Uiso 1 1 calc R . . 
C5D C 0.4390(11) 0.5747(9) -0.0277(8) 0.046(3) Uani 1 1 d U . . 
H5D H 0.4205 0.5407 -0.0442 0.055 Uiso 1 1 calc R . . 
C6D C 0.4096(11) 0.5858(9) 0.0327(8) 0.041(3) Uani 1 1 d U . . 
H6D H 0.3695 0.5599 0.0575 0.049 Uiso 1 1 calc R . . 
C1E C 0.0102(12) 0.6662(10) 0.0729(9) 0.051(3) Uani 1 1 d U . . 
C2E C -0.0114(12) 0.6195(10) 0.1185(10) 0.054(4) Uani 1 1 d U . . 
H2E H 0.0009 0.6230 0.1570 0.064 Uiso 1 1 calc R . . 
C3E C -0.0512(13) 0.5663(10) 0.1109(10) 0.061(4) Uani 1 1 d U . . 
H3E H -0.0700 0.5358 0.1437 0.073 Uiso 1 1 calc R . . 
C4E C -0.0609(14) 0.5614(12) 0.0547(11) 0.070(4) Uani 1 1 d U . . 
H4E H -0.0860 0.5254 0.0475 0.084 Uiso 1 1 calc R . . 
C5E C -0.0368(14) 0.6047(11) 0.0080(11) 0.067(4) Uani 1 1 d U . . 
H5E H -0.0458 0.5993 -0.0310 0.080 Uiso 1 1 calc R . . 
C6E C 0.0015(13) 0.6577(10) 0.0166(10) 0.059(4) Uani 1 1 d U . . 
H6E H 0.0211 0.6873 -0.0167 0.070 Uiso 1 1 calc R . . 
C1F C 0.1365(10) 0.7545(8) 0.0247(7) 0.034(3) Uani 1 1 d U . . 
C2F C 0.2197(10) 0.7235(8) 0.0212(7) 0.036(3) Uani 1 1 d U . . 
H2F H 0.2328 0.6912 0.0520 0.043 Uiso 1 1 calc R . . 
C3F C 0.2832(11) 0.7402(9) -0.0276(8) 0.040(3) Uani 1 1 d U . . 
H3F H 0.3398 0.7193 -0.0293 0.048 Uiso 1 1 calc R . . 
C4F C 0.2669(11) 0.7851(9) -0.0728(8) 0.046(3) Uani 1 1 d U . . 
H4F H 0.3119 0.7963 -0.1051 0.055 Uiso 1 1 calc R . . 
C5F C 0.1830(12) 0.8153(9) -0.0717(9) 0.050(3) Uani 1 1 d U . . 
H5F H 0.1702 0.8454 -0.1042 0.060 Uiso 1 1 calc R . . 
C6F C 0.1194(11) 0.8004(9) -0.0223(8) 0.044(3) Uani 1 1 d U . . 
H6F H 0.0631 0.8219 -0.0205 0.053 Uiso 1 1 calc R . . 
C1G C 0.3363(12) 0.7042(10) 0.3539(9) 0.051(3) Uani 1 1 d U . . 
C2G C 0.3948(12) 0.6728(10) 0.3903(9) 0.055(4) Uani 1 1 d U . . 
H2G H 0.3826 0.6360 0.4181 0.066 Uiso 1 1 calc R . . 
C3G C 0.4718(13) 0.6997(11) 0.3825(10) 0.064(4) Uani 1 1 d U . . 
H3G H 0.5119 0.6826 0.4070 0.076 Uiso 1 1 calc R . . 
C4G C 0.4890(15) 0.7518(12) 0.3383(10) 0.067(4) Uani 1 1 d U . . 
H4G H 0.5424 0.7678 0.3327 0.080 Uiso 1 1 calc R . . 
C5G C 0.4349(13) 0.7796(11) 0.3044(10) 0.061(4) Uani 1 1 d U . . 
H5G H 0.4482 0.8152 0.2754 0.073 Uiso 1 1 calc R . . 
C6G C 0.3589(13) 0.7552(10) 0.3127(9) 0.055(4) Uani 1 1 d U . . 
H6G H 0.3195 0.7748 0.2885 0.066 Uiso 1 1 calc R . . 
C1H C 0.2409(9) 0.5933(5) 0.3919(6) 0.052(4) Uani 1 1 d GU . . 
C2H C 0.2254(10) 0.5764(6) 0.4540(5) 0.071(4) Uani 1 1 d GU . . 
H2H H 0.2068 0.6093 0.4814 0.085 Uiso 1 1 calc R . . 
C3H C 0.2370(11) 0.5114(7) 0.4760(5) 0.086(5) Uani 1 1 d GU . . 
H3H H 0.2264 0.4998 0.5184 0.103 Uiso 1 1 calc R . . 
C4H C 0.2642(11) 0.4633(5) 0.4358(6) 0.084(4) Uani 1 1 d GU . . 
H4H H 0.2721 0.4189 0.4508 0.101 Uiso 1 1 calc R . . 
C5H C 0.2797(10) 0.4802(6) 0.3737(6) 0.069(4) Uani 1 1 d GU . . 
H5H H 0.2983 0.4473 0.3463 0.082 Uiso 1 1 calc R . . 
C6H C 0.2681(9) 0.5452(6) 0.3517(4) 0.053(4) Uani 1 1 d GU . . 
H6H H 0.2787 0.5568 0.3093 0.063 Uiso 1 1 calc R . . 
C1I C -0.1546(10) 0.6364(8) 0.3553(8) 0.038(3) Uani 1 1 d U . . 
C2I C -0.2218(10) 0.6182(8) 0.3997(8) 0.040(3) Uani 1 1 d U . . 
H2I H -0.2157 0.6106 0.4407 0.047 Uiso 1 1 calc R . . 
C3I C -0.2990(11) 0.6108(9) 0.3848(9) 0.049(3) Uani 1 1 d U . . 
H3I H -0.3461 0.5997 0.4154 0.059 Uiso 1 1 calc R . . 
C4I C -0.3053(12) 0.6199(10) 0.3245(9) 0.052(3) Uani 1 1 d U . . 
H4I H -0.3561 0.6119 0.3137 0.063 Uiso 1 1 calc R . . 
C5I C -0.2411(11) 0.6400(10) 0.2804(9) 0.049(3) Uani 1 1 d U . . 
H5I H -0.2484 0.6482 0.2397 0.059 Uiso 1 1 calc R . . 
C6I C -0.1636(11) 0.6485(9) 0.2948(8) 0.046(3) Uani 1 1 d U . . 
H6I H -0.1181 0.6623 0.2642 0.055 Uiso 1 1 calc R . . 
C1J C -0.0747(13) 0.6600(9) 0.4501(8) 0.059(4) Uani 1 1 d DU . . 
C2J C -0.1011(13) 0.7201(9) 0.4697(8) 0.059(4) Uani 1 1 d DU . . 
H2J H -0.1059 0.7561 0.4403 0.071 Uiso 1 1 calc R . . 
C3J C -0.1213(14) 0.7316(10) 0.5295(9) 0.071(4) Uani 1 1 d DU . . 
H3J H -0.1342 0.7749 0.5412 0.086 Uiso 1 1 calc R . . 
C4J C -0.1226(17) 0.6811(11) 0.5710(9) 0.090(5) Uani 1 1 d DU . . 
H4J H -0.1335 0.6897 0.6124 0.108 Uiso 1 1 calc R . . 
C5J C -0.1102(18) 0.6220(11) 0.5586(10) 0.096(5) Uani 1 1 d DU . . 
H5J H -0.1240 0.5879 0.5892 0.115 Uiso 1 1 calc R . . 
C6J C -0.0750(17) 0.6087(10) 0.4973(10) 0.086(5) Uani 1 1 d DU . . 
H6J H -0.0517 0.5656 0.4879 0.103 Uiso 1 1 calc R . . 
C1K C 0.0794(10) 0.9570(8) 0.1387(8) 0.038(3) Uani 1 1 d U . . 
C2K C -0.0026(10) 0.9723(8) 0.1706(8) 0.038(3) Uani 1 1 d U . . 
H2K H -0.0187 0.9556 0.2116 0.045 Uiso 1 1 calc R . . 
C3K C -0.0629(11) 1.0133(8) 0.1415(8) 0.042(3) Uani 1 1 d U . . 
H3K H -0.1197 1.0243 0.1627 0.050 Uiso 1 1 calc R . . 
C4K C -0.0367(11) 1.0373(9) 0.0811(8) 0.043(3) Uani 1 1 d U . . 
H4K H -0.0762 1.0637 0.0603 0.051 Uiso 1 1 calc R . . 
C5K C 0.0478(11) 1.0219(9) 0.0518(9) 0.048(3) Uani 1 1 d U . . 
H5K H 0.0660 1.0388 0.0110 0.057 Uiso 1 1 calc R . . 
C6K C 0.1057(11) 0.9825(9) 0.0811(8) 0.045(3) Uani 1 1 d U . . 
H6K H 0.1635 0.9734 0.0610 0.054 Uiso 1 1 calc R . . 
C1L C 0.2016(10) 0.9538(8) 0.2159(7) 0.035(3) Uani 1 1 d U . . 
C2L C 0.2193(11) 1.0152(9) 0.1899(8) 0.042(3) Uani 1 1 d U . . 
H2L H 0.2031 1.0313 0.1526 0.051 Uiso 1 1 calc R . . 
C3L C 0.2598(12) 1.0531(10) 0.2175(8) 0.049(3) Uani 1 1 d U . . 
H3L H 0.2679 1.0962 0.2009 0.059 Uiso 1 1 calc R . . 
C4L C 0.2891(12) 1.0280(9) 0.2700(8) 0.050(3) Uani 1 1 d U . . 
H4L H 0.3192 1.0533 0.2881 0.060 Uiso 1 1 calc R . . 
C5L C 0.2743(12) 0.9661(9) 0.2956(8) 0.047(3) Uani 1 1 d U . . 
H5L H 0.2947 0.9490 0.3311 0.056 Uiso 1 1 calc R . . 
C6L C 0.2287(10) 0.9286(9) 0.2690(7) 0.039(3) Uani 1 1 d U . . 
H6L H 0.2168 0.8867 0.2870 0.046 Uiso 1 1 calc R . . 
C1M C -0.0404(10) 1.0056(8) 0.3765(7) 0.033(3) Uani 1 1 d U . . 
C2M C 0.0161(11) 1.0236(9) 0.3238(8) 0.041(3) Uani 1 1 d U . . 
H2M H 0.0564 0.9913 0.3034 0.049 Uiso 1 1 calc R . . 
C3M C 0.0140(12) 1.0881(9) 0.3009(9) 0.052(3) Uani 1 1 d U . . 
H3M H 0.0512 1.0995 0.2639 0.062 Uiso 1 1 calc R . . 
C4M C -0.0420(12) 1.1366(10) 0.3316(9) 0.053(3) Uani 1 1 d U . . 
H4M H -0.0430 1.1811 0.3166 0.064 Uiso 1 1 calc R . . 
C5M C -0.0968(12) 1.1172(9) 0.3857(8) 0.046(3) Uani 1 1 d U . . 
H5M H -0.1355 1.1489 0.4079 0.055 Uiso 1 1 calc R . . 
C6M C -0.0948(11) 1.0526(9) 0.4065(8) 0.042(3) Uani 1 1 d U . . 
H6M H -0.1327 1.0405 0.4429 0.050 Uiso 1 1 calc R . . 
C1N C -0.1137(11) 0.9157(9) 0.4710(8) 0.045(3) Uani 1 1 d U . . 
C2N C -0.0948(11) 0.9220(9) 0.5288(8) 0.042(3) Uani 1 1 d U . . 
H2N H -0.0380 0.9250 0.5320 0.050 Uiso 1 1 calc R . . 
C3N C -0.1590(11) 0.9239(9) 0.5797(9) 0.047(3) Uani 1 1 d U . . 
H3N H -0.1465 0.9280 0.6180 0.056 Uiso 1 1 calc R . . 
C4N C -0.2420(12) 0.9197(9) 0.5751(9) 0.049(3) Uani 1 1 d U . . 
H4N H -0.2864 0.9211 0.6102 0.059 Uiso 1 1 calc R . . 
C5N C -0.2597(12) 0.9134(9) 0.5201(8) 0.049(3) Uani 1 1 d U . . 
H5N H -0.3162 0.9096 0.5169 0.059 Uiso 1 1 calc R . . 
C6N C -0.1954(11) 0.9127(9) 0.4693(8) 0.045(3) Uani 1 1 d U . . 
H6N H -0.2094 0.9101 0.4312 0.054 Uiso 1 1 calc R . . 
C1O C -0.2277(11) 0.9595(9) 0.2674(8) 0.040(3) Uani 1 1 d U . . 
C2O C -0.2778(11) 0.9776(9) 0.2240(8) 0.042(3) Uani 1 1 d U . . 
H2O H -0.2969 0.9449 0.2061 0.051 Uiso 1 1 calc R . . 
C3O C -0.3000(11) 1.0423(9) 0.2066(8) 0.044(3) Uani 1 1 d U . . 
H3O H -0.3342 1.0537 0.1769 0.053 Uiso 1 1 calc R . . 
C4O C -0.2737(11) 1.0898(9) 0.2311(8) 0.043(3) Uani 1 1 d U . . 
H4O H -0.2904 1.1341 0.2191 0.052 Uiso 1 1 calc R . . 
C5O C -0.2243(11) 1.0750(9) 0.2725(8) 0.044(3) Uani 1 1 d U . . 
H5O H -0.2052 1.1088 0.2888 0.053 Uiso 1 1 calc R . . 
C6O C -0.2006(11) 1.0091(9) 0.2918(8) 0.042(3) Uani 1 1 d U . . 
H6O H -0.1663 0.9987 0.3214 0.051 Uiso 1 1 calc R . . 
C1Q C 0.1131(11) 0.4879(10) 0.2093(8) 0.048(4) Uani 1 1 d U . . 
H1Q1 H 0.0707 0.5169 0.1899 0.057 Uiso 1 1 calc R . . 
H1Q2 H 0.1112 0.4429 0.2001 0.057 Uiso 1 1 calc R . . 
C2Q C 0.0875(12) 0.4914(9) 0.2771(8) 0.048(3) Uani 1 1 d U . . 
H2Q1 H 0.1393 0.4888 0.2941 0.057 Uiso 1 1 calc R . . 
H2Q2 H 0.0571 0.4539 0.2955 0.057 Uiso 1 1 calc R . . 
C3Q C 0.0302(11) 0.5543(8) 0.2930(8) 0.041(3) Uani 1 1 d U . . 
H3Q1 H -0.0242 0.5537 0.2801 0.050 Uiso 1 1 calc R . . 
H3Q2 H 0.0577 0.5911 0.2693 0.050 Uiso 1 1 calc R . . 
C4Q C 0.0097(11) 0.5671(8) 0.3608(8) 0.042(4) Uani 1 1 d U . . 
H4Q1 H 0.0634 0.5655 0.3754 0.050 Uiso 1 1 calc R . . 
H4Q2 H -0.0230 0.5331 0.3850 0.050 Uiso 1 1 calc R . . 
C1R C 0.4209(11) 0.7275(8) 0.1421(8) 0.038(3) Uani 1 1 d U . . 
H1R1 H 0.4117 0.7350 0.1855 0.046 Uiso 1 1 calc R . . 
H1R2 H 0.4821 0.7291 0.1243 0.046 Uiso 1 1 calc R . . 
C2R C 0.3672(11) 0.7851(8) 0.1095(8) 0.041(3) Uani 1 1 d U . . 
H2R1 H 0.4052 0.8172 0.0883 0.049 Uiso 1 1 calc R . . 
H2R2 H 0.3436 0.7675 0.0789 0.049 Uiso 1 1 calc R . . 
C3R C 0.2977(11) 0.8174(9) 0.1524(8) 0.040(3) Uani 1 1 d U . . 
H3R1 H 0.3219 0.8393 0.1801 0.048 Uiso 1 1 calc R . . 
H3R2 H 0.2641 0.7842 0.1773 0.048 Uiso 1 1 calc R . . 
C4R C 0.2375(10) 0.8683(8) 0.1215(7) 0.036(3) Uani 1 1 d U . . 
H4R1 H 0.2139 0.8474 0.0928 0.044 Uiso 1 1 calc R . . 
H4R2 H 0.2694 0.9033 0.0984 0.044 Uiso 1 1 calc R . . 
C1S C -0.0344(12) 0.7969(9) 0.0874(9) 0.049(4) Uani 1 1 d U . . 
H1S1 H -0.0163 0.8399 0.0888 0.059 Uiso 1 1 calc R . . 
H1S2 H -0.0525 0.7970 0.0484 0.059 Uiso 1 1 calc R . . 
C2S C -0.1101(13) 0.7870(10) 0.1393(9) 0.057(4) Uani 1 1 d U . . 
H2S1 H -0.1606 0.7842 0.1223 0.068 Uiso 1 1 calc R . . 
H2S2 H -0.0974 0.7451 0.1630 0.068 Uiso 1 1 calc R . . 
C3S C -0.1301(13) 0.8382(10) 0.1792(9) 0.057(4) Uani 1 1 d U . . 
H3S1 H -0.1449 0.8798 0.1558 0.069 Uiso 1 1 calc R . . 
H3S2 H -0.0787 0.8422 0.1948 0.069 Uiso 1 1 calc R . . 
C4S C -0.2069(13) 0.8274(10) 0.2354(9) 0.056(4) Uani 1 1 d U . . 
H4S1 H -0.2041 0.7808 0.2505 0.067 Uiso 1 1 calc R . . 
H4S2 H -0.2622 0.8409 0.2229 0.067 Uiso 1 1 calc R . . 
C1T C 0.1650(10) 0.7235(8) 0.4227(7) 0.034(3) Uani 1 1 d U . . 
H1T1 H 0.1100 0.7057 0.4362 0.041 Uiso 1 1 calc R . . 
H1T2 H 0.1938 0.7181 0.4575 0.041 Uiso 1 1 calc R . . 
C2T C 0.1483(10) 0.7951(8) 0.4029(7) 0.033(3) Uani 1 1 d U . . 
H2T1 H 0.2036 0.8127 0.3901 0.040 Uiso 1 1 calc R . . 
H2T2 H 0.1212 0.8000 0.3673 0.040 Uiso 1 1 calc R . . 
C3T C 0.0922(11) 0.8348(8) 0.4515(7) 0.038(3) Uani 1 1 d U . . 
H3T1 H 0.1224 0.8350 0.4849 0.046 Uiso 1 1 calc R . . 
H3T2 H 0.0396 0.8144 0.4681 0.046 Uiso 1 1 calc R . . 
C4T C 0.0683(10) 0.9044(8) 0.4271(8) 0.038(3) Uani 1 1 d U . . 
H4T1 H 0.1138 0.9161 0.3924 0.046 Uiso 1 1 calc R . . 
H4T2 H 0.0660 0.9336 0.4591 0.046 Uiso 1 1 calc R . . 
B1U B 0.7122(12) 0.8233(10) 0.9839(9) 0.037(3) Uani 1 1 d U . . 
C1U C 0.7100(10) 0.9000(8) 0.9973(7) 0.035(3) Uani 1 1 d U . . 
C2U C 0.6550(10) 0.9536(8) 0.9784(7) 0.034(3) Uani 1 1 d U . . 
H2U H 0.6210 0.9480 0.9507 0.041 Uiso 1 1 calc R . . 
C3U C 0.6497(10) 1.0145(8) 0.9996(7) 0.036(3) Uani 1 1 d U . . 
H3U H 0.6113 1.0492 0.9862 0.043 Uiso 1 1 calc R . . 
C4U C 0.6970(10) 1.0261(9) 1.0386(8) 0.039(3) Uani 1 1 d U . . 
H4U H 0.6908 1.0675 1.0537 0.047 Uiso 1 1 calc R . . 
C5U C 0.7560(10) 0.9742(8) 1.0560(7) 0.038(3) Uani 1 1 d U . . 
H5U H 0.7927 0.9814 1.0814 0.045 Uiso 1 1 calc R . . 
C6U C 0.7606(10) 0.9139(8) 1.0368(7) 0.037(3) Uani 1 1 d U . . 
H6U H 0.7994 0.8797 1.0505 0.045 Uiso 1 1 calc R . . 
C7U C 0.6914(10) 0.7816(8) 1.0492(7) 0.037(3) Uani 1 1 d U . . 
C8U C 0.6345(10) 0.8109(9) 1.0977(7) 0.039(3) Uani 1 1 d U . . 
H8U H 0.6106 0.8550 1.0922 0.047 Uiso 1 1 calc R . . 
C9U C 0.6124(11) 0.7749(9) 1.1549(8) 0.043(3) Uani 1 1 d U . . 
H9U H 0.5718 0.7953 1.1864 0.051 Uiso 1 1 calc R . . 
C10U C 0.6474(12) 0.7125(9) 1.1661(8) 0.048(3) Uani 1 1 d U . . 
H10U H 0.6316 0.6891 1.2044 0.057 Uiso 1 1 calc R . . 
C11U C 0.7061(12) 0.6844(10) 1.1202(8) 0.049(3) Uani 1 1 d U . . 
H11U H 0.7334 0.6416 1.1276 0.059 Uiso 1 1 calc R . . 
C12U C 0.7270(11) 0.7180(9) 1.0620(8) 0.044(3) Uani 1 1 d U . . 
H12U H 0.7664 0.6964 1.0308 0.053 Uiso 1 1 calc R . . 
C13U C 0.8044(12) 0.7972(9) 0.9424(8) 0.046(3) Uani 1 1 d U . . 
C14U C 0.8721(11) 0.8354(10) 0.9208(8) 0.049(3) Uani 1 1 d U . . 
H14U H 0.8645 0.8789 0.9315 0.059 Uiso 1 1 calc R . . 
C15U C 0.9489(13) 0.8120(11) 0.8848(9) 0.058(4) Uani 1 1 d U . . 
H15U H 0.9927 0.8391 0.8711 0.069 Uiso 1 1 calc R . . 
C16U C 0.9602(15) 0.7509(11) 0.8699(10) 0.068(4) Uani 1 1 d U . . 
H16U H 1.0143 0.7340 0.8477 0.081 Uiso 1 1 calc R . . 
C17U C 0.8955(14) 0.7104(11) 0.8856(9) 0.063(4) Uani 1 1 d U . . 
H17U H 0.9047 0.6679 0.8723 0.076 Uiso 1 1 calc R . . 
C18U C 0.8159(13) 0.7341(10) 0.9218(9) 0.056(4) Uani 1 1 d U . . 
H18U H 0.7708 0.7078 0.9321 0.067 Uiso 1 1 calc R . . 
C19U C 0.6340(10) 0.8209(8) 0.9451(7) 0.036(3) Uani 1 1 d U . . 
C20U C 0.6534(12) 0.8136(9) 0.8838(8) 0.045(3) Uani 1 1 d U . . 
H20U H 0.7114 0.8084 0.8631 0.054 Uiso 1 1 calc R . . 
C21U C 0.5904(13) 0.8136(10) 0.8523(9) 0.056(4) Uani 1 1 d U . . 
H21U H 0.6060 0.8055 0.8107 0.067 Uiso 1 1 calc R . . 
C22U C 0.5039(13) 0.8251(10) 0.8791(9) 0.053(3) Uani 1 1 d U . . 
H22U H 0.4604 0.8275 0.8565 0.064 Uiso 1 1 calc R . . 
C23U C 0.4855(12) 0.8328(9) 0.9413(8) 0.046(3) Uani 1 1 d U . . 
H23U H 0.4279 0.8390 0.9624 0.055 Uiso 1 1 calc R . . 
C24U C 0.5514(11) 0.8315(8) 0.9726(8) 0.039(3) Uani 1 1 d U . . 
H24U H 0.5373 0.8382 1.0145 0.047 Uiso 1 1 calc R . . 
B1V B 0.6808(12) 0.3029(10) 0.3920(9) 0.058(4) Uani 0.526(8) 1 d PDU A 1 
C1V C 0.7703(12) 0.3361(10) 0.3945(13) 0.036(5) Uani 0.526(8) 1 d PDU A 1 
C2V C 0.8355(14) 0.2981(9) 0.4186(13) 0.035(5) Uani 0.526(8) 1 d PDU A 1 
H2V H 0.8286 0.2548 0.4351 0.042 Uiso 0.526(8) 1 calc PR A 1 
C3V C 0.9105(12) 0.3230(10) 0.4187(13) 0.036(5) Uani 0.526(8) 1 d PDU A 1 
H3V H 0.9552 0.2964 0.4340 0.044 Uiso 0.526(8) 1 calc PR A 1 
C4V C 0.9197(12) 0.3869(10) 0.3963(13) 0.037(5) Uani 0.526(8) 1 d PDU A 1 
H4V H 0.9662 0.4066 0.4022 0.044 Uiso 0.526(8) 1 calc PR A 1 
C5V C 0.8608(13) 0.4213(9) 0.3655(12) 0.031(4) Uani 0.526(8) 1 d PDU A 1 
H5V H 0.8739 0.4600 0.3409 0.037 Uiso 0.526(8) 1 calc PR A 1 
C6V C 0.7817(12) 0.3996(10) 0.3700(13) 0.037(5) Uani 0.526(8) 1 d PDU A 1 
H6V H 0.7364 0.4277 0.3567 0.044 Uiso 0.526(8) 1 calc PR A 1 
C7V C 0.6845(7) 0.2986(6) 0.3172(5) 0.055(3) Uani 0.526(8) 1 d PGDU A 1 
C8V C 0.7609(8) 0.2664(7) 0.2874(6) 0.055(4) Uani 0.526(8) 1 d PGDU A 1 
H8V H 0.7982 0.2402 0.3101 0.066 Uiso 0.526(8) 1 calc PR A 1 
C9V C 0.7825(10) 0.2725(9) 0.2245(6) 0.059(4) Uani 0.526(8) 1 d PGDU A 1 
H9V H 0.8347 0.2505 0.2041 0.071 Uiso 0.526(8) 1 calc PR A 1 
C10V C 0.7278(12) 0.3108(9) 0.1914(5) 0.059(4) Uani 0.526(8) 1 d PGDU A 1 
H10V H 0.7426 0.3149 0.1484 0.071 Uiso 0.526(8) 1 calc PR A 1 
C11V C 0.6515(11) 0.3430(8) 0.2212(5) 0.057(4) Uani 0.526(8) 1 d PGDU A 1 
H11V H 0.6141 0.3691 0.1985 0.068 Uiso 0.526(8) 1 calc PR A 1 
C12V C 0.6298(9) 0.3369(7) 0.2841(5) 0.056(4) Uani 0.526(8) 1 d PGDU A 1 
H12V H 0.5776 0.3589 0.3045 0.067 Uiso 0.526(8) 1 calc PR A 1 
C13V C 0.6645(8) 0.2256(6) 0.4256(5) 0.058(4) Uani 0.526(8) 1 d PGDU A 1 
C14V C 0.6653(11) 0.2290(8) 0.4863(5) 0.060(4) Uani 0.526(8) 1 d PGDU A 1 
H14V H 0.6586 0.2701 0.5022 0.071 Uiso 0.526(8) 1 calc PR A 1 
C15V C 0.6760(13) 0.1721(9) 0.5238(6) 0.060(4) Uani 0.526(8) 1 d PGDU A 1 
H15V H 0.6766 0.1743 0.5653 0.071 Uiso 0.526(8) 1 calc PR A 1 
C16V C 0.6858(14) 0.1119(8) 0.5006(8) 0.063(4) Uani 0.526(8) 1 d PGDU A 1 
H16V H 0.6931 0.0730 0.5262 0.076 Uiso 0.526(8) 1 calc PR A 1 
C17V C 0.6850(13) 0.1086(6) 0.4399(8) 0.062(4) Uani 0.526(8) 1 d PGDU A 1 
H17V H 0.6918 0.0675 0.4240 0.074 Uiso 0.526(8) 1 calc PR A 1 
C18V C 0.6744(10) 0.1655(6) 0.4024(7) 0.057(4) Uani 0.526(8) 1 d PGDU A 1 
H18V H 0.6738 0.1632 0.3609 0.068 Uiso 0.526(8) 1 calc PR A 1 
C19V C 0.5897(9) 0.3467(6) 0.4285(5) 0.068(4) Uani 0.526(8) 1 d PGDU A 1 
C20V C 0.5131(8) 0.3329(7) 0.4179(6) 0.067(4) Uani 0.526(8) 1 d PGDU A 1 
H20V H 0.5086 0.2908 0.4077 0.081 Uiso 0.526(8) 1 calc PR A 1 
C21V C 0.4430(9) 0.3807(9) 0.4223(7) 0.071(5) Uani 0.526(8) 1 d PGDU A 1 
H21V H 0.3907 0.3713 0.4151 0.085 Uiso 0.526(8) 1 calc PR A 1 
C22V C 0.4496(12) 0.4424(8) 0.4373(8) 0.076(5) Uani 0.526(8) 1 d PGDU A 1 
H22V H 0.4017 0.4751 0.4403 0.091 Uiso 0.526(8) 1 calc PR A 1 
C23V C 0.5262(14) 0.4561(7) 0.4478(8) 0.075(5) Uani 0.526(8) 1 d PGDU A 1 
H23V H 0.5307 0.4982 0.4581 0.090 Uiso 0.526(8) 1 calc PR A 1 
C24V C 0.5962(12) 0.4083(6) 0.4435(6) 0.071(4) Uani 0.526(8) 1 d PGDU A 1 
H24V H 0.6486 0.4177 0.4507 0.085 Uiso 0.526(8) 1 calc PR A 1 
B1W B 0.6156(11) 0.2609(9) 0.3728(8) 0.056(3) Uani 0.474(8) 1 d PDU A 2 
C1W C 0.600(2) 0.3372(13) 0.396(2) 0.062(4) Uani 0.474(8) 1 d PDU A 2 
C2W C 0.660(2) 0.3654(14) 0.413(2) 0.066(4) Uani 0.474(8) 1 d PDU A 2 
H2W H 0.7125 0.3395 0.4169 0.079 Uiso 0.474(8) 1 calc PR A 2 
C3W C 0.650(2) 0.4295(15) 0.423(2) 0.070(5) Uani 0.474(8) 1 d PDU A 2 
H3W H 0.6905 0.4467 0.4392 0.084 Uiso 0.474(8) 1 calc PR A 2 
C4W C 0.581(2) 0.4671(14) 0.412(2) 0.073(5) Uani 0.474(8) 1 d PDU A 2 
H4W H 0.5768 0.5123 0.4162 0.088 Uiso 0.474(8) 1 calc PR A 2 
C5W C 0.520(2) 0.4472(14) 0.395(2) 0.073(5) Uani 0.474(8) 1 d PDU A 2 
H5W H 0.4719 0.4765 0.3877 0.088 Uiso 0.474(8) 1 calc PR A 2 
C6W C 0.5264(19) 0.3803(14) 0.386(2) 0.068(4) Uani 0.474(8) 1 d PDU A 2 
H6W H 0.4812 0.3640 0.3746 0.081 Uiso 0.474(8) 1 calc PR A 2 
C7W C 0.5267(15) 0.2374(16) 0.3600(13) 0.048(4) Uani 0.474(8) 1 d PDU A 2 
C8W C 0.4489(16) 0.2438(16) 0.3973(13) 0.050(5) Uani 0.474(8) 1 d PDU A 2 
H8W H 0.4419 0.2657 0.4329 0.060 Uiso 0.474(8) 1 calc PR A 2 
C9W C 0.3802(15) 0.2201(16) 0.3861(13) 0.042(5) Uani 0.474(8) 1 d PDU A 2 
H9W H 0.3253 0.2291 0.4111 0.050 Uiso 0.474(8) 1 calc PR A 2 
C10W C 0.3915(16) 0.1845(15) 0.3397(13) 0.038(5) Uani 0.474(8) 1 d PDU A 2 
H10W H 0.3429 0.1688 0.3324 0.046 Uiso 0.474(8) 1 calc PR A 2 
C11W C 0.4616(17) 0.1697(16) 0.3046(13) 0.044(5) Uani 0.474(8) 1 d PDU A 2 
H11W H 0.4665 0.1402 0.2747 0.053 Uiso 0.474(8) 1 calc PR A 2 
C12W C 0.5329(16) 0.1983(16) 0.3108(13) 0.047(5) Uani 0.474(8) 1 d PDU A 2 
H12W H 0.5851 0.1915 0.2822 0.056 Uiso 0.474(8) 1 calc PR A 2 
C13W C 0.6900(18) 0.273(2) 0.3087(11) 0.056(3) Uani 0.474(8) 1 d PDU A 2 
C14W C 0.7704(17) 0.2408(19) 0.2975(12) 0.056(4) Uani 0.474(8) 1 d PDU A 2 
H14W H 0.7898 0.2134 0.3294 0.067 Uiso 0.474(8) 1 calc PR A 2 
C15W C 0.8244(17) 0.2462(19) 0.2426(13) 0.058(4) Uani 0.474(8) 1 d PDU A 2 
H15W H 0.8836 0.2312 0.2383 0.070 Uiso 0.474(8) 1 calc PR A 2 
C16W C 0.7922(19) 0.273(2) 0.1953(12) 0.060(4) Uani 0.474(8) 1 d PDU A 2 
H16W H 0.8283 0.2707 0.1563 0.072 Uiso 0.474(8) 1 calc PR A 2 
C17W C 0.717(2) 0.301(2) 0.1983(12) 0.059(4) Uani 0.474(8) 1 d PDU A 2 
H17W H 0.6963 0.3178 0.1626 0.070 Uiso 0.474(8) 1 calc PR A 2 
C18W C 0.6637(18) 0.3080(18) 0.2567(12) 0.057(4) Uani 0.474(8) 1 d PDU A 2 
H18W H 0.6110 0.3357 0.2611 0.069 Uiso 0.474(8) 1 calc PR A 2 
C19W C 0.650(3) 0.2004(12) 0.4210(13) 0.057(4) Uani 0.474(8) 1 d PDU A 2 
C20W C 0.661(3) 0.1360(12) 0.4134(13) 0.059(4) Uani 0.474(8) 1 d PDU A 2 
H20W H 0.6535 0.1229 0.3763 0.071 Uiso 0.474(8) 1 calc PR A 2 
C21W C 0.681(3) 0.0890(13) 0.4568(15) 0.064(4) Uani 0.474(8) 1 d PDU A 2 
H21W H 0.7024 0.0457 0.4472 0.076 Uiso 0.474(8) 1 calc PR A 2 
C22W C 0.669(3) 0.1059(16) 0.5129(14) 0.063(4) Uiso 0.474(8) 1 d PDU A 2 
H22W H 0.6627 0.0727 0.5453 0.075 Uiso 0.474(8) 1 calc PR A 2 
C23W C 0.667(3) 0.1639(17) 0.5256(13) 0.062(4) Uani 0.474(8) 1 d PDU A 2 
H23W H 0.6712 0.1728 0.5649 0.074 Uiso 0.474(8) 1 calc PR A 2 
C24W C 0.658(3) 0.2150(14) 0.4798(13) 0.059(4) Uani 0.474(8) 1 d PDU A 2 
H24W H 0.6565 0.2589 0.4880 0.071 Uiso 0.474(8) 1 calc PR A 2 
P2 P 0.0560(2) 0.7345(2) 0.09011(19) 0.0298(9) Uani 1 1 d U . . 
P3 P 0.2317(3) 0.6774(2) 0.36106(19) 0.0322(9) Uani 1 1 d U . . 
P4 P -0.0530(3) 0.6475(2) 0.37065(19) 0.0333(10) Uani 1 1 d U . . 
P5 P 0.1513(2) 0.90229(19) 0.17955(19) 0.0297(9) Uani 1 1 d U . . 
P1A P 0.2204(3) 0.5108(2) 0.1751(2) 0.0342(10) Uani 1 1 d U . . 
P1B P 0.3964(2) 0.6474(2) 0.13683(18) 0.0305(9) Uani 1 1 d U . . 
P6A P -0.0338(3) 0.9193(2) 0.4024(2) 0.0352(10) Uani 1 1 d U . . 
P6B P -0.1977(3) 0.8761(2) 0.2944(2) 0.0376(10) Uani 1 1 d U . . 
Cl1X Cl 0.9443(5) 0.6977(4) 0.7245(4) 0.109(2) Uani 1 1 d DU . . 
Cl2X Cl 0.8217(6) 0.7993(5) 0.7002(4) 0.123(3) Uani 1 1 d DU . . 
C1X C 0.8657(17) 0.7583(13) 0.7571(9) 0.116(8) Uani 1 1 d DU . . 
H1X1 H 0.8217 0.7384 0.7882 0.139 Uiso 1 1 calc R . . 
H1X2 H 0.8915 0.7883 0.7765 0.139 Uiso 1 1 calc R . . 
Cl3X Cl 0.4395(4) 0.9332(4) 0.1360(3) 0.0888(19) Uani 1 1 d DU . . 
Cl4X Cl 0.5073(11) 0.9700(9) 0.2236(7) 0.245(7) Uani 1 1 d DU . . 
C2X C 0.495(2) 0.9932(12) 0.1487(11) 0.114(10) Uani 1 1 d DU . . 
H2X1 H 0.4621 1.0368 0.1452 0.137 Uiso 1 1 calc R . . 
H2X2 H 0.5510 0.9929 0.1203 0.137 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 
C1P C2P 1.3900 . ? 
C1P C6P 1.3900 . ? 
C1P P6B 1.815(10) . ? 
C2P C3P 1.3900 . ? 
C2P H2P 0.9500 . ? 
C3P C4P 1.3900 . ? 
C3P H3P 0.9500 . ? 
C4P C5P 1.3900 . ? 
C4P H4P 0.9500 . ? 
C5P C6P 1.3900 . ? 
C5P H5P 0.9500 . ? 
C6P H6P 0.9500 . ? 
Au1 P1A 2.366(4) . ? 
Au1 P1B 2.377(4) . ? 
Au1 Au3 2.7890(9) . ? 
Au1 Au2 2.8501(8) . ? 
Au2 P2 2.330(4) . ? 
Au2 Au3 2.5917(8) . ? 
Au2 Au5 2.8788(9) . ? 
Au2 Au4 3.2101(9) . ? 
Au3 P3 2.317(4) . ? 
Au3 Au4 2.8391(8) . ? 
Au3 Au5 3.0643(9) . ? 
Au4 P4 2.304(4) . ? 
Au4 Au5 2.5755(8) . ? 
Au4 Au6 2.8004(9) . ? 
Au5 P5 2.316(4) . ? 
Au5 Au6 2.8035(9) . ? 
Au6 P6A 2.360(5) . ? 
Au6 P6B 2.369(4) . ? 
C1A C2A 1.34(3) . ? 
C1A C6A 1.37(2) . ? 
C1A P1A 1.836(18) . ? 
C2A C3A 1.34(3) . ? 
C2A H2A 0.9500 . ? 
C3A C4A 1.38(3) . ? 
C3A H3A 0.9500 . ? 
C4A C5A 1.33(3) . ? 
C4A H4A 0.9500 . ? 
C5A C6A 1.36(2) . ? 
C5A H5A 0.9500 . ? 
C6A H6A 0.9500 . ? 
C1B C2B 1.34(2) . ? 
C1B C6B 1.36(3) . ? 
C1B P1A 1.824(19) . ? 
C2B C3B 1.36(2) . ? 
C2B H2B 0.9500 . ? 
C3B C4B 1.33(3) . ? 
C3B H3B 0.9500 . ? 
C4B C5B 1.31(3) . ? 
C4B H4B 0.9500 . ? 
C5B C6B 1.43(3) . ? 
C5B H5B 0.9500 . ? 
C6B H6B 0.9500 . ? 
C1C C2C 1.37(2) . ? 
C1C C6C 1.38(2) . ? 
C1C P1B 1.837(16) . ? 
C2C C3C 1.36(2) . ? 
C2C H2C 0.9500 . ? 
C3C C4C 1.37(3) . ? 
C3C H3C 0.9500 . ? 
C4C C5C 1.42(3) . ? 
C4C H4C 0.9500 . ? 
C5C C6C 1.39(2) . ? 
C5C H5C 0.9500 . ? 
C6C H6C 0.9500 . ? 
C1D C6D 1.39(2) . ? 
C1D C2D 1.39(2) . ? 
C1D P1B 1.810(17) . ? 
C2D C3D 1.38(2) . ? 
C2D H2D 0.9500 . ? 
C3D C4D 1.34(3) . ? 
C3D H3D 0.9500 . ? 
C4D C5D 1.37(3) . ? 
C4D H4D 0.9500 . ? 
C5D C6D 1.38(2) . ? 
C5D H5D 0.9500 . ? 
C6D H6D 0.9500 . ? 
C1E C6E 1.35(3) . ? 
C1E C2E 1.36(3) . ? 
C1E P2 1.82(2) . ? 
C2E C3E 1.41(3) . ? 
C2E H2E 0.9500 . ? 
C3E C4E 1.34(3) . ? 
C3E H3E 0.9500 . ? 
C4E C5E 1.34(3) . ? 
C4E H4E 0.9500 . ? 
C5E C6E 1.39(3) . ? 
C5E H5E 0.9500 . ? 
C6E H6E 0.9500 . ? 
C1F C6F 1.40(2) . ? 
C1F C2F 1.40(2) . ? 
C1F P2 1.804(16) . ? 
C2F C3F 1.39(2) . ? 
C2F H2F 0.9500 . ? 
C3F C4F 1.35(2) . ? 
C3F H3F 0.9500 . ? 
C4F C5F 1.41(2) . ? 
C4F H4F 0.9500 . ? 
C5F C6F 1.39(2) . ? 
C5F H5F 0.9500 . ? 
C6F H6F 0.9500 . ? 
C1G C6G 1.37(3) . ? 
C1G C2G 1.43(3) . ? 
C1G P3 1.830(19) . ? 
C2G C3G 1.41(3) . ? 
C2G H2G 0.9500 . ? 
C3G C4G 1.41(3) . ? 
C3G H3G 0.9500 . ? 
C4G C5G 1.32(3) . ? 
C4G H4G 0.9500 . ? 
C5G C6G 1.37(3) . ? 
C5G H5G 0.9500 . ? 
C6G H6G 0.9500 . ? 
C1H C2H 1.3900 . ? 
C1H C6H 1.3900 . ? 
C1H P3 1.809(11) . ? 
C2H C3H 1.3900 . ? 
C2H H2H 0.9500 . ? 
C3H C4H 1.3900 . ? 
C3H H3H 0.9500 . ? 
C4H C5H 1.3900 . ? 
C4H H4H 0.9500 . ? 
C5H C6H 1.3900 . ? 
C5H H5H 0.9500 . ? 
C6H H6H 0.9500 . ? 
C1I C2I 1.38(2) . ? 
C1I C6I 1.40(2) . ? 
C1I P4 1.808(16) . ? 
C2I C3I 1.40(2) . ? 
C2I H2I 0.9500 . ? 
C3I C4I 1.38(3) . ? 
C3I H3I 0.9500 . ? 
C4I C5I 1.36(3) . ? 
C4I H4I 0.9500 . ? 
C5I C6I 1.41(2) . ? 
C5I H5I 0.9500 . ? 
C6I H6I 0.9500 . ? 
C1J C2J 1.36(2) . ? 
C1J C6J 1.42(2) . ? 
C1J P4 1.802(18) . ? 
C2J C3J 1.36(2) . ? 
C2J H2J 0.9500 . ? 
C3J C4J 1.33(2) . ? 
C3J H3J 0.9500 . ? 
C4J C5J 1.27(2) . ? 
C4J H4J 0.9500 . ? 
C5J C6J 1.43(2) . ? 
C5J H5J 0.9500 . ? 
C6J H6J 0.9500 . ? 
C1K C6K 1.35(2) . ? 
C1K C2K 1.38(2) . ? 
C1K P5 1.832(17) . ? 
C2K C3K 1.42(2) . ? 
C2K H2K 0.9500 . ? 
C3K C4K 1.40(2) . ? 
C3K H3K 0.9500 . ? 
C4K C5K 1.39(2) . ? 
C4K H4K 0.9500 . ? 
C5K C6K 1.39(2) . ? 
C5K H5K 0.9500 . ? 
C6K H6K 0.9500 . ? 
C1L C2L 1.39(2) . ? 
C1L C6L 1.39(2) . ? 
C1L P5 1.804(17) . ? 
C2L C3L 1.38(2) . ? 
C2L H2L 0.9500 . ? 
C3L C4L 1.39(3) . ? 
C3L H3L 0.9500 . ? 
C4L C5L 1.38(3) . ? 
C4L H4L 0.9500 . ? 
C5L C6L 1.41(2) . ? 
C5L H5L 0.9500 . ? 
C6L H6L 0.9500 . ? 
C1M C6M 1.35(2) . ? 
C1M C2M 1.39(2) . ? 
C1M P6A 1.823(17) . ? 
C2M C3M 1.38(2) . ? 
C2M H2M 0.9500 . ? 
C3M C4M 1.39(3) . ? 
C3M H3M 0.9500 . ? 
C4M C5M 1.41(3) . ? 
C4M H4M 0.9500 . ? 
C5M C6M 1.37(2) . ? 
C5M H5M 0.9500 . ? 
C6M H6M 0.9500 . ? 
C1N C6N 1.34(2) . ? 
C1N C2N 1.44(2) . ? 
C1N P6A 1.797(18) . ? 
C2N C3N 1.37(2) . ? 
C2N H2N 0.9500 . ? 
C3N C4N 1.39(2) . ? 
C3N H3N 0.9500 . ? 
C4N C5N 1.37(3) . ? 
C4N H4N 0.9500 . ? 
C5N C6N 1.37(2) . ? 
C5N H5N 0.9500 . ? 
C6N H6N 0.9500 . ? 
C1O C6O 1.39(2) . ? 
C1O C2O 1.40(2) . ? 
C1O P6B 1.809(18) . ? 
C2O C3O 1.38(2) . ? 
C2O H2O 0.9500 . ? 
C3O C4O 1.35(2) . ? 
C3O H3O 0.9500 . ? 
C4O C5O 1.34(2) . ? 
C4O H4O 0.9500 . ? 
C5O C6O 1.42(2) . ? 
C5O H5O 0.9500 . ? 
C6O H6O 0.9500 . ? 
C1Q C2Q 1.51(3) . ? 
C1Q P1A 1.851(18) . ? 
C1Q H1Q1 0.9900 . ? 
C1Q H1Q2 0.9900 . ? 
C2Q C3Q 1.52(2) . ? 
C2Q H2Q1 0.9900 . ? 
C2Q H2Q2 0.9900 . ? 
C3Q C4Q 1.55(2) . ? 
C3Q H3Q1 0.9900 . ? 
C3Q H3Q2 0.9900 . ? 
C4Q P4 1.837(18) . ? 
C4Q H4Q1 0.9900 . ? 
C4Q H4Q2 0.9900 . ? 
C1R C2R 1.58(2) . ? 
C1R P1B 1.797(17) . ? 
C1R H1R1 0.9900 . ? 
C1R H1R2 0.9900 . ? 
C2R C3R 1.46(2) . ? 
C2R H2R1 0.9900 . ? 
C2R H2R2 0.9900 . ? 
C3R C4R 1.55(2) . ? 
C3R H3R1 0.9900 . ? 
C3R H3R2 0.9900 . ? 
C4R P5 1.819(17) . ? 
C4R H4R1 0.9900 . ? 
C4R H4R2 0.9900 . ? 
C1S C2S 1.52(3) . ? 
C1S P2 1.815(19) . ? 
C1S H1S1 0.9900 . ? 
C1S H1S2 0.9900 . ? 
C2S C3S 1.43(3) . ? 
C2S H2S1 0.9900 . ? 
C2S H2S2 0.9900 . ? 
C3S C4S 1.60(3) . ? 
C3S H3S1 0.9900 . ? 
C3S H3S2 0.9900 . ? 
C4S P6B 1.81(2) . ? 
C4S H4S1 0.9900 . ? 
C4S H4S2 0.9900 . ? 
C1T C2T 1.51(2) . ? 
C1T P3 1.840(16) . ? 
C1T H1T1 0.9900 . ? 
C1T H1T2 0.9900 . ? 
C2T C3T 1.51(2) . ? 
C2T H2T1 0.9900 . ? 
C2T H2T2 0.9900 . ? 
C3T C4T 1.52(2) . ? 
C3T H3T1 0.9900 . ? 
C3T H3T2 0.9900 . ? 
C4T P6A 1.833(16) . ? 
C4T H4T1 0.9900 . ? 
C4T H4T2 0.9900 . ? 
B1U C7U 1.62(2) . ? 
B1U C13U 1.64(3) . ? 
B1U C1U 1.66(3) . ? 
B1U C19U 1.70(2) . ? 
C1U C2U 1.41(2) . ? 
C1U C6U 1.42(2) . ? 
C2U C3U 1.39(2) . ? 
C2U H2U 0.9500 . ? 
C3U C4U 1.35(2) . ? 
C3U H3U 0.9500 . ? 
C4U C5U 1.42(2) . ? 
C4U H4U 0.9500 . ? 
C5U C6U 1.36(2) . ? 
C5U H5U 0.9500 . ? 
C6U H6U 0.9500 . ? 
C7U C12U 1.39(2) . ? 
C7U C8U 1.41(2) . ? 
C8U C9U 1.43(2) . ? 
C8U H8U 0.9500 . ? 
C9U C10U 1.36(3) . ? 
C9U H9U 0.9500 . ? 
C10U C11U 1.37(3) . ? 
C10U H10U 0.9500 . ? 
C11U C12U 1.42(2) . ? 
C11U H11U 0.9500 . ? 
C12U H12U 0.9500 . ? 
C13U C14U 1.42(3) . ? 
C13U C18U 1.42(3) . ? 
C14U C15U 1.39(3) . ? 
C14U H14U 0.9500 . ? 
C15U C16U 1.33(3) . ? 
C15U H15U 0.9500 . ? 
C16U C17U 1.40(3) . ? 
C16U H16U 0.9500 . ? 
C17U C18U 1.42(3) . ? 
C17U H17U 0.9500 . ? 
C18U H18U 0.9500 . ? 
C19U C24U 1.34(2) . ? 
C19U C20U 1.38(2) . ? 
C20U C21U 1.37(3) . ? 
C20U H20U 0.9500 . ? 
C21U C22U 1.40(3) . ? 
C21U H21U 0.9500 . ? 
C22U C23U 1.40(3) . ? 
C22U H22U 0.9500 . ? 
C23U C24U 1.40(2) . ? 
C23U H23U 0.9500 . ? 
C24U H24U 0.9500 . ? 
B1V C7V 1.696(17) . ? 
B1V C1V 1.711(17) . ? 
B1V C19V 1.715(17) . ? 
B1V C13V 1.733(17) . ? 
C1V C2V 1.394(12) . ? 
C1V C6V 1.399(13) . ? 
C2V C3V 1.390(12) . ? 
C2V H2V 0.9500 . ? 
C3V C4V 1.387(13) . ? 
C3V H3V 0.9500 . ? 
C4V C5V 1.374(13) . ? 
C4V H4V 0.9500 . ? 
C5V C6V 1.401(13) . ? 
C5V H5V 0.9500 . ? 
C6V H6V 0.9500 . ? 
C7V C8V 1.3900 . ? 
C7V C12V 1.3900 . ? 
C8V C9V 1.3900 . ? 
C8V H8V 0.9500 . ? 
C9V C10V 1.3900 . ? 
C9V H9V 0.9500 . ? 
C10V C11V 1.3900 . ? 
C10V H10V 0.9500 . ? 
C11V C12V 1.3900 . ? 
C11V H11V 0.9500 . ? 
C12V H12V 0.9500 . ? 
C13V C14V 1.3900 . ? 
C13V C18V 1.3901 . ? 
C14V C15V 1.3900 . ? 
C14V H14V 0.9500 . ? 
C15V C16V 1.3899 . ? 
C15V H15V 0.9500 . ? 
C16V C17V 1.3900 . ? 
C16V H16V 0.9500 . ? 
C17V C18V 1.3900 . ? 
C17V H17V 0.9500 . ? 
C18V H18V 0.9500 . ? 
C19V C20V 1.3900 . ? 
C19V C24V 1.3900 . ? 
C20V C21V 1.3900 . ? 
C20V H20V 0.9500 . ? 
C21V C22V 1.3900 . ? 
C21V H21V 0.9500 . ? 
C22V C23V 1.3899 . ? 
C22V H22V 0.9500 . ? 
C23V C24V 1.3900 . ? 
C23V H23V 0.9500 . ? 
C24V H24V 0.9500 . ? 
B1W C7W 1.68(2) . ? 
B1W C19W 1.69(2) . ? 
B1W C13W 1.69(2) . ? 
B1W C1W 1.70(2) . ? 
C1W C2W 1.35(2) . ? 
C1W C6W 1.42(2) . ? 
C2W C3W 1.37(2) . ? 
C2W H2W 0.9500 . ? 
C3W C4W 1.32(2) . ? 
C3W H3W 0.9500 . ? 
C4W C5W 1.27(3) . ? 
C4W H4W 0.9500 . ? 
C5W C6W 1.41(3) . ? 
C5W H5W 0.9500 . ? 
C6W H6W 0.9500 . ? 
C7W C8W 1.36(2) . ? 
C7W C12W 1.43(2) . ? 
C8W C9W 1.37(2) . ? 
C8W H8W 0.9500 . ? 
C9W C10W 1.32(2) . ? 
C9W H9W 0.9500 . ? 
C10W C11W 1.26(2) . ? 
C10W H10W 0.9500 . ? 
C11W C12W 1.42(2) . ? 
C11W H11W 0.9500 . ? 
C12W H12W 0.9500 . ? 
C13W C14W 1.36(2) . ? 
C13W C18W 1.43(2) . ? 
C14W C15W 1.36(2) . ? 
C14W H14W 0.9500 . ? 
C15W C16W 1.32(2) . ? 
C15W H15W 0.9500 . ? 
C16W C17W 1.27(3) . ? 
C16W H16W 0.9500 . ? 
C17W C18W 1.42(3) . ? 
C17W H17W 0.9500 . ? 
C18W H18W 0.9500 . ? 
C19W C20W 1.35(2) . ? 
C19W C24W 1.44(2) . ? 
C20W C21W 1.36(2) . ? 
C20W H20W 0.9500 . ? 
C21W C22W 1.33(2) . ? 
C21W H21W 0.9500 . ? 
C22W C23W 1.27(3) . ? 
C22W H22W 0.9500 . ? 
C23W C24W 1.42(3) . ? 
C23W H23W 0.9500 . ? 
C24W H24W 0.9500 . ? 
Cl1X C1X 1.759(17) . ? 
Cl2X C1X 1.696(17) . ? 
C1X H1X1 0.9900 . ? 
C1X H1X2 0.9900 . ? 
Cl3X C2X 1.728(17) . ? 
Cl4X C2X 1.759(17) . ? 
C2X H2X1 0.9900 . ? 
C2X H2X2 0.9900 . ? 
 
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 
C2P C1P C6P 120.0 . . ? 
C2P C1P P6B 119.2(8) . . ? 
C6P C1P P6B 120.8(8) . . ? 
C1P C2P C3P 120.0 . . ? 
C1P C2P H2P 120.0 . . ? 
C3P C2P H2P 120.0 . . ? 
C4P C3P C2P 120.0 . . ? 
C4P C3P H3P 120.0 . . ? 
C2P C3P H3P 120.0 . . ? 
C3P C4P C5P 120.0 . . ? 
C3P C4P H4P 120.0 . . ? 
C5P C4P H4P 120.0 . . ? 
C6P C5P C4P 120.0 . . ? 
C6P C5P H5P 120.0 . . ? 
C4P C5P H5P 120.0 . . ? 
C5P C6P C1P 120.0 . . ? 
C5P C6P H6P 120.0 . . ? 
C1P C6P H6P 120.0 . . ? 
P1A Au1 P1B 125.27(15) . . ? 
P1A Au1 Au3 120.46(11) . . ? 
P1B Au1 Au3 107.60(11) . . ? 
P1A Au1 Au2 110.16(10) . . ? 
P1B Au1 Au2 118.59(11) . . ? 
Au3 Au1 Au2 54.71(2) . . ? 
P2 Au2 Au3 176.82(10) . . ? 
P2 Au2 Au1 119.50(11) . . ? 
Au3 Au2 Au1 61.45(2) . . ? 
P2 Au2 Au5 109.89(11) . . ? 
Au3 Au2 Au5 67.90(2) . . ? 
Au1 Au2 Au5 123.65(3) . . ? 
P2 Au2 Au4 123.17(10) . . ? 
Au3 Au2 Au4 57.42(2) . . ? 
Au1 Au2 Au4 112.67(2) . . ? 
Au5 Au2 Au4 49.680(18) . . ? 
P3 Au3 Au2 175.65(11) . . ? 
P3 Au3 Au1 120.06(11) . . ? 
Au2 Au3 Au1 63.85(2) . . ? 
P3 Au3 Au4 103.35(10) . . ? 
Au2 Au3 Au4 72.31(2) . . ? 
Au1 Au3 Au4 127.50(3) . . ? 
P3 Au3 Au5 116.72(11) . . ? 
Au2 Au3 Au5 60.51(2) . . ? 
Au1 Au3 Au5 119.19(3) . . ? 
Au4 Au3 Au5 51.560(18) . . ? 
P4 Au4 Au5 175.40(11) . . ? 
P4 Au4 Au6 120.78(12) . . ? 
Au5 Au4 Au6 62.70(2) . . ? 
P4 Au4 Au3 106.79(11) . . ? 
Au5 Au4 Au3 68.73(2) . . ? 
Au6 Au4 Au3 125.18(3) . . ? 
P4 Au4 Au2 119.82(12) . . ? 
Au5 Au4 Au2 58.46(2) . . ? 
Au6 Au4 Au2 114.89(2) . . ? 
Au3 Au4 Au2 50.278(18) . . ? 
P5 Au5 Au4 176.32(11) . . ? 
P5 Au5 Au6 120.29(11) . . ? 
Au4 Au5 Au6 62.58(2) . . ? 
P5 Au5 Au2 104.50(11) . . ? 
Au4 Au5 Au2 71.86(2) . . ? 
Au6 Au5 Au2 126.34(3) . . ? 
P5 Au5 Au3 118.65(10) . . ? 
Au4 Au5 Au3 59.71(2) . . ? 
Au6 Au5 Au3 117.05(2) . . ? 
Au2 Au5 Au3 51.592(19) . . ? 
P6A Au6 P6B 127.08(16) . . ? 
P6A Au6 Au4 121.39(11) . . ? 
P6B Au6 Au4 106.09(12) . . ? 
P6A Au6 Au5 109.48(10) . . ? 
P6B Au6 Au5 116.70(11) . . ? 
Au4 Au6 Au5 54.72(2) . . ? 
C2A C1A C6A 119.4(18) . . ? 
C2A C1A P1A 123.4(15) . . ? 
C6A C1A P1A 117.2(14) . . ? 
C1A C2A C3A 121(2) . . ? 
C1A C2A H2A 119.5 . . ? 
C3A C2A H2A 119.5 . . ? 
C2A C3A C4A 117(2) . . ? 
C2A C3A H3A 121.4 . . ? 
C4A C3A H3A 121.4 . . ? 
C5A C4A C3A 125(2) . . ? 
C5A C4A H4A 117.6 . . ? 
C3A C4A H4A 117.6 . . ? 
C4A C5A C6A 116(2) . . ? 
C4A C5A H5A 122.2 . . ? 
C6A C5A H5A 122.2 . . ? 
C5A C6A C1A 122.1(19) . . ? 
C5A C6A H6A 118.9 . . ? 
C1A C6A H6A 118.9 . . ? 
C2B C1B C6B 116.6(19) . . ? 
C2B C1B P1A 122.7(15) . . ? 
C6B C1B P1A 120.3(16) . . ? 
C1B C2B C3B 124.2(18) . . ? 
C1B C2B H2B 117.9 . . ? 
C3B C2B H2B 117.9 . . ? 
C4B C3B C2B 118.0(18) . . ? 
C4B C3B H3B 121.0 . . ? 
C2B C3B H3B 121.0 . . ? 
C5B C4B C3B 121(2) . . ? 
C5B C4B H4B 119.7 . . ? 
C3B C4B H4B 119.7 . . ? 
C4B C5B C6B 120(2) . . ? 
C4B C5B H5B 120.0 . . ? 
C6B C5B H5B 120.0 . . ? 
C1B C6B C5B 119(2) . . ? 
C1B C6B H6B 120.6 . . ? 
C5B C6B H6B 120.6 . . ? 
C2C C1C C6C 119.7(15) . . ? 
C2C C1C P1B 118.1(13) . . ? 
C6C C1C P1B 122.3(13) . . ? 
C3C C2C C1C 120.5(18) . . ? 
C3C C2C H2C 119.8 . . ? 
C1C C2C H2C 119.8 . . ? 
C2C C3C C4C 121.4(18) . . ? 
C2C C3C H3C 119.3 . . ? 
C4C C3C H3C 119.3 . . ? 
C3C C4C C5C 119.1(17) . . ? 
C3C C4C H4C 120.4 . . ? 
C5C C4C H4C 120.4 . . ? 
C6C C5C C4C 118.5(18) . . ? 
C6C C5C H5C 120.7 . . ? 
C4C C5C H5C 120.7 . . ? 
C1C C6C C5C 120.6(17) . . ? 
C1C C6C H6C 119.7 . . ? 
C5C C6C H6C 119.7 . . ? 
C6D C1D C2D 116.9(16) . . ? 
C6D C1D P1B 119.2(13) . . ? 
C2D C1D P1B 123.9(13) . . ? 
C3D C2D C1D 121.9(16) . . ? 
C3D C2D H2D 119.0 . . ? 
C1D C2D H2D 119.0 . . ? 
C4D C3D C2D 119.4(17) . . ? 
C4D C3D H3D 120.3 . . ? 
C2D C3D H3D 120.3 . . ? 
C3D C4D C5D 121.6(18) . . ? 
C3D C4D H4D 119.2 . . ? 
C5D C4D H4D 119.2 . . ? 
C4D C5D C6D 119.1(18) . . ? 
C4D C5D H5D 120.4 . . ? 
C6D C5D H5D 120.4 . . ? 
C5D C6D C1D 121.0(17) . . ? 
C5D C6D H6D 119.5 . . ? 
C1D C6D H6D 119.5 . . ? 
C6E C1E C2E 119(2) . . ? 
C6E C1E P2 123.2(16) . . ? 
C2E C1E P2 118.0(15) . . ? 
C1E C2E C3E 123(2) . . ? 
C1E C2E H2E 118.7 . . ? 
C3E C2E H2E 118.7 . . ? 
C4E C3E C2E 116(2) . . ? 
C4E C3E H3E 122.1 . . ? 
C2E C3E H3E 122.1 . . ? 
C3E C4E C5E 123(2) . . ? 
C3E C4E H4E 118.4 . . ? 
C5E C4E H4E 118.4 . . ? 
C4E C5E C6E 120(2) . . ? 
C4E C5E H5E 119.9 . . ? 
C6E C5E H5E 119.9 . . ? 
C1E C6E C5E 119(2) . . ? 
C1E C6E H6E 120.4 . . ? 
C5E C6E H6E 120.4 . . ? 
C6F C1F C2F 118.5(15) . . ? 
C6F C1F P2 122.7(13) . . ? 
C2F C1F P2 118.8(12) . . ? 
C3F C2F C1F 119.6(15) . . ? 
C3F C2F H2F 120.2 . . ? 
C1F C2F H2F 120.2 . . ? 
C4F C3F C2F 121.9(16) . . ? 
C4F C3F H3F 119.0 . . ? 
C2F C3F H3F 119.0 . . ? 
C3F C4F C5F 119.8(17) . . ? 
C3F C4F H4F 120.1 . . ? 
C5F C4F H4F 120.1 . . ? 
C6F C5F C4F 118.8(17) . . ? 
C6F C5F H5F 120.6 . . ? 
C4F C5F H5F 120.6 . . ? 
C5F C6F C1F 121.4(17) . . ? 
C5F C6F H6F 119.3 . . ? 
C1F C6F H6F 119.3 . . ? 
C6G C1G C2G 119.5(18) . . ? 
C6G C1G P3 119.2(15) . . ? 
C2G C1G P3 121.2(15) . . ? 
C3G C2G C1G 116(2) . . ? 
C3G C2G H2G 122.1 . . ? 
C1G C2G H2G 122.1 . . ? 
C4G C3G C2G 120(2) . . ? 
C4G C3G H3G 120.0 . . ? 
C2G C3G H3G 120.0 . . ? 
C5G C4G C3G 123(2) . . ? 
C5G C4G H4G 118.3 . . ? 
C3G C4G H4G 118.3 . . ? 
C4G C5G C6G 117(2) . . ? 
C4G C5G H5G 121.3 . . ? 
C6G C5G H5G 121.3 . . ? 
C1G C6G C5G 124(2) . . ? 
C1G C6G H6G 118.1 . . ? 
C5G C6G H6G 118.1 . . ? 
C2H C1H C6H 120.0 . . ? 
C2H C1H P3 121.7(8) . . ? 
C6H C1H P3 118.2(8) . . ? 
C1H C2H C3H 120.0 . . ? 
C1H C2H H2H 120.0 . . ? 
C3H C2H H2H 120.0 . . ? 
C4H C3H C2H 120.0 . . ? 
C4H C3H H3H 120.0 . . ? 
C2H C3H H3H 120.0 . . ? 
C5H C4H C3H 120.0 . . ? 
C5H C4H H4H 120.0 . . ? 
C3H C4H H4H 120.0 . . ? 
C4H C5H C6H 120.0 . . ? 
C4H C5H H5H 120.0 . . ? 
C6H C5H H5H 120.0 . . ? 
C5H C6H C1H 120.0 . . ? 
C5H C6H H6H 120.0 . . ? 
C1H C6H H6H 120.0 . . ? 
C2I C1I C6I 120.1(16) . . ? 
C2I C1I P4 123.4(13) . . ? 
C6I C1I P4 116.6(13) . . ? 
C1I C2I C3I 120.5(16) . . ? 
C1I C2I H2I 119.7 . . ? 
C3I C2I H2I 119.7 . . ? 
C4I C3I C2I 118.5(17) . . ? 
C4I C3I H3I 120.7 . . ? 
C2I C3I H3I 120.7 . . ? 
C5I C4I C3I 121.9(17) . . ? 
C5I C4I H4I 119.1 . . ? 
C3I C4I H4I 119.1 . . ? 
C4I C5I C6I 120.0(18) . . ? 
C4I C5I H5I 120.0 . . ? 
C6I C5I H5I 120.0 . . ? 
C1I C6I C5I 118.8(17) . . ? 
C1I C6I H6I 120.6 . . ? 
C5I C6I H6I 120.6 . . ? 
C2J C1J C6J 114.5(15) . . ? 
C2J C1J P4 121.2(14) . . ? 
C6J C1J P4 124.0(15) . . ? 
C1J C2J C3J 123.2(16) . . ? 
C1J C2J H2J 118.4 . . ? 
C3J C2J H2J 118.4 . . ? 
C4J C3J C2J 118.8(18) . . ? 
C4J C3J H3J 120.6 . . ? 
C2J C3J H3J 120.6 . . ? 
C5J C4J C3J 123.9(19) . . ? 
C5J C4J H4J 118.0 . . ? 
C3J C4J H4J 118.0 . . ? 
C4J C5J C6J 117.7(19) . . ? 
C4J C5J H5J 121.2 . . ? 
C6J C5J H5J 121.2 . . ? 
C1J C6J C5J 120.0(17) . . ? 
C1J C6J H6J 120.0 . . ? 
C5J C6J H6J 120.0 . . ? 
C6K C1K C2K 121.8(16) . . ? 
C6K C1K P5 122.2(13) . . ? 
C2K C1K P5 116.0(13) . . ? 
C1K C2K C3K 119.4(16) . . ? 
C1K C2K H2K 120.3 . . ? 
C3K C2K H2K 120.3 . . ? 
C4K C3K C2K 118.8(16) . . ? 
C4K C3K H3K 120.6 . . ? 
C2K C3K H3K 120.6 . . ? 
C5K C4K C3K 119.3(16) . . ? 
C5K C4K H4K 120.4 . . ? 
C3K C4K H4K 120.4 . . ? 
C6K C5K C4K 121.1(17) . . ? 
C6K C5K H5K 119.5 . . ? 
C4K C5K H5K 119.5 . . ? 
C1K C6K C5K 119.6(17) . . ? 
C1K C6K H6K 120.2 . . ? 
C5K C6K H6K 120.2 . . ? 
C2L C1L C6L 120.0(16) . . ? 
C2L C1L P5 121.6(13) . . ? 
C6L C1L P5 118.2(12) . . ? 
C3L C2L C1L 120.8(17) . . ? 
C3L C2L H2L 119.6 . . ? 
C1L C2L H2L 119.6 . . ? 
C2L C3L C4L 119.7(18) . . ? 
C2L C3L H3L 120.1 . . ? 
C4L C3L H3L 120.1 . . ? 
C5L C4L C3L 120.2(18) . . ? 
C5L C4L H4L 119.9 . . ? 
C3L C4L H4L 119.9 . . ? 
C4L C5L C6L 120.0(18) . . ? 
C4L C5L H5L 120.0 . . ? 
C6L C5L H5L 120.0 . . ? 
C1L C6L C5L 119.1(16) . . ? 
C1L C6L H6L 120.4 . . ? 
C5L C6L H6L 120.4 . . ? 
C6M C1M C2M 118.9(16) . . ? 
C6M C1M P6A 123.9(13) . . ? 
C2M C1M P6A 117.1(13) . . ? 
C3M C2M C1M 120.4(18) . . ? 
C3M C2M H2M 119.8 . . ? 
C1M C2M H2M 119.8 . . ? 
C2M C3M C4M 120.8(19) . . ? 
C2M C3M H3M 119.6 . . ? 
C4M C3M H3M 119.6 . . ? 
C3M C4M C5M 117.5(18) . . ? 
C3M C4M H4M 121.3 . . ? 
C5M C4M H4M 121.3 . . ? 
C6M C5M C4M 120.4(19) . . ? 
C6M C5M H5M 119.8 . . ? 
C4M C5M H5M 119.8 . . ? 
C1M C6M C5M 121.9(18) . . ? 
C1M C6M H6M 119.0 . . ? 
C5M C6M H6M 119.0 . . ? 
C6N C1N C2N 117.2(17) . . ? 
C6N C1N P6A 120.9(14) . . ? 
C2N C1N P6A 121.6(13) . . ? 
C3N C2N C1N 119.9(17) . . ? 
C3N C2N H2N 120.0 . . ? 
C1N C2N H2N 120.0 . . ? 
C2N C3N C4N 120.1(18) . . ? 
C2N C3N H3N 120.0 . . ? 
C4N C3N H3N 120.0 . . ? 
C5N C4N C3N 119.9(18) . . ? 
C5N C4N H4N 120.1 . . ? 
C3N C4N H4N 120.1 . . ? 
C4N C5N C6N 119.7(18) . . ? 
C4N C5N H5N 120.2 . . ? 
C6N C5N H5N 120.2 . . ? 
C1N C6N C5N 123.2(18) . . ? 
C1N C6N H6N 118.4 . . ? 
C5N C6N H6N 118.4 . . ? 
C6O C1O C2O 117.4(16) . . ? 
C6O C1O P6B 118.5(13) . . ? 
C2O C1O P6B 124.0(14) . . ? 
C3O C2O C1O 120.9(17) . . ? 
C3O C2O H2O 119.6 . . ? 
C1O C2O H2O 119.6 . . ? 
C4O C3O C2O 120.8(17) . . ? 
C4O C3O H3O 119.6 . . ? 
C2O C3O H3O 119.6 . . ? 
C5O C4O C3O 120.8(18) . . ? 
C5O C4O H4O 119.6 . . ? 
C3O C4O H4O 119.6 . . ? 
C4O C5O C6O 120.0(17) . . ? 
C4O C5O H5O 120.0 . . ? 
C6O C5O H5O 120.0 . . ? 
C1O C6O C5O 120.1(16) . . ? 
C1O C6O H6O 120.0 . . ? 
C5O C6O H6O 120.0 . . ? 
C2Q C1Q P1A 114.5(13) . . ? 
C2Q C1Q H1Q1 108.6 . . ? 
P1A C1Q H1Q1 108.6 . . ? 
C2Q C1Q H1Q2 108.6 . . ? 
P1A C1Q H1Q2 108.6 . . ? 
H1Q1 C1Q H1Q2 107.6 . . ? 
C1Q C2Q C3Q 111.4(15) . . ? 
C1Q C2Q H2Q1 109.3 . . ? 
C3Q C2Q H2Q1 109.3 . . ? 
C1Q C2Q H2Q2 109.3 . . ? 
C3Q C2Q H2Q2 109.3 . . ? 
H2Q1 C2Q H2Q2 108.0 . . ? 
C2Q C3Q C4Q 115.7(14) . . ? 
C2Q C3Q H3Q1 108.4 . . ? 
C4Q C3Q H3Q1 108.4 . . ? 
C2Q C3Q H3Q2 108.4 . . ? 
C4Q C3Q H3Q2 108.4 . . ? 
H3Q1 C3Q H3Q2 107.4 . . ? 
C3Q C4Q P4 109.6(11) . . ? 
C3Q C4Q H4Q1 109.8 . . ? 
P4 C4Q H4Q1 109.8 . . ? 
C3Q C4Q H4Q2 109.8 . . ? 
P4 C4Q H4Q2 109.8 . . ? 
H4Q1 C4Q H4Q2 108.2 . . ? 
C2R C1R P1B 115.3(11) . . ? 
C2R C1R H1R1 108.5 . . ? 
P1B C1R H1R1 108.5 . . ? 
C2R C1R H1R2 108.5 . . ? 
P1B C1R H1R2 108.5 . . ? 
H1R1 C1R H1R2 107.5 . . ? 
C3R C2R C1R 111.8(14) . . ? 
C3R C2R H2R1 109.3 . . ? 
C1R C2R H2R1 109.3 . . ? 
C3R C2R H2R2 109.3 . . ? 
C1R C2R H2R2 109.3 . . ? 
H2R1 C2R H2R2 107.9 . . ? 
C2R C3R C4R 113.1(14) . . ? 
C2R C3R H3R1 108.9 . . ? 
C4R C3R H3R1 108.9 . . ? 
C2R C3R H3R2 108.9 . . ? 
C4R C3R H3R2 108.9 . . ? 
H3R1 C3R H3R2 107.8 . . ? 
C3R C4R P5 108.7(11) . . ? 
C3R C4R H4R1 109.9 . . ? 
P5 C4R H4R1 109.9 . . ? 
C3R C4R H4R2 109.9 . . ? 
P5 C4R H4R2 109.9 . . ? 
H4R1 C4R H4R2 108.3 . . ? 
C2S C1S P2 113.0(13) . . ? 
C2S C1S H1S1 109.0 . . ? 
P2 C1S H1S1 109.0 . . ? 
C2S C1S H1S2 109.0 . . ? 
P2 C1S H1S2 109.0 . . ? 
H1S1 C1S H1S2 107.8 . . ? 
C3S C2S C1S 113.1(17) . . ? 
C3S C2S H2S1 108.9 . . ? 
C1S C2S H2S1 108.9 . . ? 
C3S C2S H2S2 108.9 . . ? 
C1S C2S H2S2 108.9 . . ? 
H2S1 C2S H2S2 107.8 . . ? 
C2S C3S C4S 113.9(17) . . ? 
C2S C3S H3S1 108.8 . . ? 
C4S C3S H3S1 108.8 . . ? 
C2S C3S H3S2 108.8 . . ? 
C4S C3S H3S2 108.8 . . ? 
H3S1 C3S H3S2 107.7 . . ? 
C3S C4S P6B 108.0(14) . . ? 
C3S C4S H4S1 110.1 . . ? 
P6B C4S H4S1 110.1 . . ? 
C3S C4S H4S2 110.1 . . ? 
P6B C4S H4S2 110.1 . . ? 
H4S1 C4S H4S2 108.4 . . ? 
C2T C1T P3 111.9(11) . . ? 
C2T C1T H1T1 109.2 . . ? 
P3 C1T H1T1 109.2 . . ? 
C2T C1T H1T2 109.2 . . ? 
P3 C1T H1T2 109.2 . . ? 
H1T1 C1T H1T2 107.9 . . ? 
C3T C2T C1T 114.0(13) . . ? 
C3T C2T H2T1 108.8 . . ? 
C1T C2T H2T1 108.8 . . ? 
C3T C2T H2T2 108.8 . . ? 
C1T C2T H2T2 108.8 . . ? 
H2T1 C2T H2T2 107.7 . . ? 
C2T C3T C4T 111.8(14) . . ? 
C2T C3T H3T1 109.2 . . ? 
C4T C3T H3T1 109.2 . . ? 
C2T C3T H3T2 109.2 . . ? 
C4T C3T H3T2 109.2 . . ? 
H3T1 C3T H3T2 107.9 . . ? 
C3T C4T P6A 114.7(12) . . ? 
C3T C4T H4T1 108.6 . . ? 
P6A C4T H4T1 108.6 . . ? 
C3T C4T H4T2 108.6 . . ? 
P6A C4T H4T2 108.6 . . ? 
H4T1 C4T H4T2 107.6 . . ? 
C7U B1U C13U 112.9(14) . . ? 
C7U B1U C1U 107.2(14) . . ? 
C13U B1U C1U 110.2(14) . . ? 
C7U B1U C19U 109.8(13) . . ? 
C13U B1U C19U 109.1(15) . . ? 
C1U B1U C19U 107.4(13) . . ? 
C2U C1U C6U 115.0(16) . . ? 
C2U C1U B1U 126.0(14) . . ? 
C6U C1U B1U 118.6(14) . . ? 
C3U C2U C1U 121.3(15) . . ? 
C3U C2U H2U 119.3 . . ? 
C1U C2U H2U 119.3 . . ? 
C4U C3U C2U 122.5(16) . . ? 
C4U C3U H3U 118.8 . . ? 
C2U C3U H3U 118.8 . . ? 
C3U C4U C5U 117.6(17) . . ? 
C3U C4U H4U 121.2 . . ? 
C5U C4U H4U 121.2 . . ? 
C6U C5U C4U 120.5(16) . . ? 
C6U C5U H5U 119.7 . . ? 
C4U C5U H5U 119.7 . . ? 
C5U C6U C1U 123.0(16) . . ? 
C5U C6U H6U 118.5 . . ? 
C1U C6U H6U 118.5 . . ? 
C12U C7U C8U 116.0(16) . . ? 
C12U C7U B1U 124.9(16) . . ? 
C8U C7U B1U 119.1(15) . . ? 
C7U C8U C9U 120.6(16) . . ? 
C7U C8U H8U 119.7 . . ? 
C9U C8U H8U 119.7 . . ? 
C10U C9U C8U 122.2(18) . . ? 
C10U C9U H9U 118.9 . . ? 
C8U C9U H9U 118.9 . . ? 
C9U C10U C11U 117.8(17) . . ? 
C9U C10U H10U 121.1 . . ? 
C11U C10U H10U 121.1 . . ? 
C10U C11U C12U 121.4(18) . . ? 
C10U C11U H11U 119.3 . . ? 
C12U C11U H11U 119.3 . . ? 
C7U C12U C11U 121.9(18) . . ? 
C7U C12U H12U 119.0 . . ? 
C11U C12U H12U 119.0 . . ? 
C14U C13U C18U 116.8(18) . . ? 
C14U C13U B1U 124.5(17) . . ? 
C18U C13U B1U 118.5(16) . . ? 
C15U C14U C13U 123(2) . . ? 
C15U C14U H14U 118.5 . . ? 
C13U C14U H14U 118.5 . . ? 
C16U C15U C14U 119(2) . . ? 
C16U C15U H15U 120.6 . . ? 
C14U C15U H15U 120.6 . . ? 
C15U C16U C17U 123(2) . . ? 
C15U C16U H16U 118.7 . . ? 
C17U C16U H16U 118.7 . . ? 
C16U C17U C18U 119(2) . . ? 
C16U C17U H17U 120.5 . . ? 
C18U C17U H17U 120.5 . . ? 
C13U C18U C17U 119.4(19) . . ? 
C13U C18U H18U 120.3 . . ? 
C17U C18U H18U 120.3 . . ? 
C24U C19U C20U 118.3(16) . . ? 
C24U C19U B1U 120.6(15) . . ? 
C20U C19U B1U 120.9(15) . . ? 
C21U C20U C19U 120.9(18) . . ? 
C21U C20U H20U 119.6 . . ? 
C19U C20U H20U 119.6 . . ? 
C20U C21U C22U 122(2) . . ? 
C20U C21U H21U 118.8 . . ? 
C22U C21U H21U 118.8 . . ? 
C21U C22U C23U 115.7(18) . . ? 
C21U C22U H22U 122.1 . . ? 
C23U C22U H22U 122.1 . . ? 
C22U C23U C24U 120.5(18) . . ? 
C22U C23U H23U 119.7 . . ? 
C24U C23U H23U 119.7 . . ? 
C19U C24U C23U 122.0(17) . . ? 
C19U C24U H24U 119.0 . . ? 
C23U C24U H24U 119.0 . . ? 
C7V B1V C1V 105.1(14) . . ? 
C7V B1V C19V 113.9(11) . . ? 
C1V B1V C19V 112.1(15) . . ? 
C7V B1V C13V 105.0(9) . . ? 
C1V B1V C13V 121.2(14) . . ? 
C19V B1V C13V 99.7(8) . . ? 
C2V C1V C6V 118.9(8) . . ? 
C2V C1V B1V 119.6(14) . . ? 
C6V C1V B1V 121.3(14) . . ? 
C3V C2V C1V 120.8(8) . . ? 
C3V C2V H2V 119.6 . . ? 
C1V C2V H2V 119.6 . . ? 
C4V C3V C2V 119.7(8) . . ? 
C4V C3V H3V 120.1 . . ? 
C2V C3V H3V 120.1 . . ? 
C5V C4V C3V 119.3(9) . . ? 
C5V C4V H4V 120.4 . . ? 
C3V C4V H4V 120.4 . . ? 
C4V C5V C6V 120.4(9) . . ? 
C4V C5V H5V 119.8 . . ? 
C6V C5V H5V 119.8 . . ? 
C1V C6V C5V 119.1(9) . . ? 
C1V C6V H6V 120.5 . . ? 
C5V C6V H6V 120.5 . . ? 
C8V C7V C12V 120.0 . . ? 
C8V C7V B1V 113.2(6) . . ? 
C12V C7V B1V 124.6(6) . . ? 
C7V C8V C9V 120.0 . . ? 
C7V C8V H8V 120.0 . . ? 
C9V C8V H8V 120.0 . . ? 
C8V C9V C10V 120.0 . . ? 
C8V C9V H9V 120.0 . . ? 
C10V C9V H9V 120.0 . . ? 
C9V C10V C11V 120.0 . . ? 
C9V C10V H10V 120.0 . . ? 
C11V C10V H10V 120.0 . . ? 
C12V C11V C10V 120.0 . . ? 
C12V C11V H11V 120.0 . . ? 
C10V C11V H11V 120.0 . . ? 
C11V C12V C7V 120.0 . . ? 
C11V C12V H12V 120.0 . . ? 
C7V C12V H12V 120.0 . . ? 
C14V C13V C18V 120.0 . . ? 
C14V C13V B1V 104.6(6) . . ? 
C18V C13V B1V 132.7(5) . . ? 
C15V C14V C13V 120.0 . . ? 
C15V C14V H14V 120.0 . . ? 
C13V C14V H14V 120.0 . . ? 
C16V C15V C14V 120.0 . . ? 
C16V C15V H15V 120.0 . . ? 
C14V C15V H15V 120.0 . . ? 
C15V C16V C17V 120.0 . . ? 
C15V C16V H16V 120.0 . . ? 
C17V C16V H16V 120.0 . . ? 
C16V C17V C18V 120.0 . . ? 
C16V C17V H17V 120.0 . . ? 
C18V C17V H17V 120.0 . . ? 
C17V C18V C13V 120.0 . . ? 
C17V C18V H18V 120.0 . . ? 
C13V C18V H18V 120.0 . . ? 
C20V C19V C24V 120.0 . . ? 
C20V C19V B1V 116.6(6) . . ? 
C24V C19V B1V 117.4(6) . . ? 
C19V C20V C21V 120.0 . . ? 
C19V C20V H20V 120.0 . . ? 
C21V C20V H20V 120.0 . . ? 
C22V C21V C20V 120.0 . . ? 
C22V C21V H21V 120.0 . . ? 
C20V C21V H21V 120.0 . . ? 
C23V C22V C21V 120.0 . . ? 
C23V C22V H22V 120.0 . . ? 
C21V C22V H22V 120.0 . . ? 
C22V C23V C24V 120.0 . . ? 
C22V C23V H23V 120.0 . . ? 
C24V C23V H23V 120.0 . . ? 
C23V C24V C19V 120.0 . . ? 
C23V C24V H24V 120.0 . . ? 
C19V C24V H24V 120.0 . . ? 
C7W B1W C19W 104(2) . . ? 
C7W B1W C13W 113.1(19) . . ? 
C19W B1W C13W 112.1(19) . . ? 
C7W B1W C1W 113.1(14) . . ? 
C19W B1W C1W 116.4(16) . . ? 
C13W B1W C1W 99(2) . . ? 
C2W C1W C6W 115.0(17) . . ? 
C2W C1W B1W 124.2(18) . . ? 
C6W C1W B1W 119.7(18) . . ? 
C1W C2W C3W 122.7(17) . . ? 
C1W C2W H2W 118.7 . . ? 
C3W C2W H2W 118.7 . . ? 
C4W C3W C2W 118.8(19) . . ? 
C4W C3W H3W 120.6 . . ? 
C2W C3W H3W 120.6 . . ? 
C5W C4W C3W 125(2) . . ? 
C5W C4W H4W 117.7 . . ? 
C3W C4W H4W 117.7 . . ? 
C4W C5W C6W 118.4(19) . . ? 
C4W C5W H5W 120.8 . . ? 
C6W C5W H5W 120.8 . . ? 
C5W C6W C1W 120.2(18) . . ? 
C5W C6W H6W 119.9 . . ? 
C1W C6W H6W 119.9 . . ? 
C8W C7W C12W 114.3(16) . . ? 
C8W C7W B1W 125.7(17) . . ? 
C12W C7W B1W 119.3(16) . . ? 
C7W C8W C9W 122.9(17) . . ? 
C7W C8W H8W 118.6 . . ? 
C9W C8W H8W 118.6 . . ? 
C10W C9W C8W 118.7(18) . . ? 
C10W C9W H9W 120.7 . . ? 
C8W C9W H9W 120.7 . . ? 
C11W C10W C9W 125(2) . . ? 
C11W C10W H10W 117.4 . . ? 
C9W C10W H10W 117.4 . . ? 
C10W C11W C12W 118.2(19) . . ? 
C10W C11W H11W 120.9 . . ? 
C12W C11W H11W 120.9 . . ? 
C11W C12W C7W 120.3(18) . . ? 
C11W C12W H12W 119.9 . . ? 
C7W C12W H12W 119.9 . . ? 
C14W C13W C18W 114.5(16) . . ? 
C14W C13W B1W 125.3(18) . . ? 
C18W C13W B1W 118.9(17) . . ? 
C13W C14W C15W 123.1(18) . . ? 
C13W C14W H14W 118.5 . . ? 
C15W C14W H14W 118.5 . . ? 
C16W C15W C14W 118.0(19) . . ? 
C16W C15W H15W 121.0 . . ? 
C14W C15W H15W 121.0 . . ? 
C17W C16W C15W 125(2) . . ? 
C17W C16W H16W 117.5 . . ? 
C15W C16W H16W 117.5 . . ? 
C16W C17W C18W 118(2) . . ? 
C16W C17W H17W 121.0 . . ? 
C18W C17W H17W 121.0 . . ? 
C17W C18W C13W 119.7(18) . . ? 
C17W C18W H18W 120.2 . . ? 
C13W C18W H18W 120.2 . . ? 
C20W C19W C24W 114.3(16) . . ? 
C20W C19W B1W 125.7(18) . . ? 
C24W C19W B1W 119.2(17) . . ? 
C19W C20W C21W 122.9(18) . . ? 
C19W C20W H20W 118.5 . . ? 
C21W C20W H20W 118.5 . . ? 
C22W C21W C20W 118(2) . . ? 
C22W C21W H21W 121.2 . . ? 
C20W C21W H21W 121.2 . . ? 
C23W C22W C21W 124(2) . . ? 
C23W C22W H22W 118.2 . . ? 
C21W C22W H22W 118.2 . . ? 
C22W C23W C24W 118(2) . . ? 
C22W C23W H23W 120.8 . . ? 
C24W C23W H23W 120.8 . . ? 
C23W C24W C19W 119.8(18) . . ? 
C23W C24W H24W 120.1 . . ? 
C19W C24W H24W 120.1 . . ? 
C1F P2 C1E 106.8(9) . . ? 
C1F P2 C1S 105.7(8) . . ? 
C1E P2 C1S 98.5(9) . . ? 
C1F P2 Au2 111.0(5) . . ? 
C1E P2 Au2 112.5(6) . . ? 
C1S P2 Au2 121.0(7) . . ? 
C1H P3 C1G 106.4(8) . . ? 
C1H P3 C1T 105.5(7) . . ? 
C1G P3 C1T 102.8(8) . . ? 
C1H P3 Au3 112.6(4) . . ? 
C1G P3 Au3 114.1(6) . . ? 
C1T P3 Au3 114.5(5) . . ? 
C1J P4 C1I 104.9(9) . . ? 
C1J P4 C4Q 107.7(9) . . ? 
C1I P4 C4Q 103.2(8) . . ? 
C1J P4 Au4 112.3(6) . . ? 
C1I P4 Au4 112.0(5) . . ? 
C4Q P4 Au4 115.8(6) . . ? 
C1L P5 C4R 103.9(8) . . ? 
C1L P5 C1K 106.1(8) . . ? 
C4R P5 C1K 105.7(8) . . ? 
C1L P5 Au5 114.8(5) . . ? 
C4R P5 Au5 113.7(6) . . ? 
C1K P5 Au5 111.8(5) . . ? 
C1B P1A C1A 106.1(9) . . ? 
C1B P1A C1Q 103.1(8) . . ? 
C1A P1A C1Q 102.0(8) . . ? 
C1B P1A Au1 112.4(6) . . ? 
C1A P1A Au1 108.0(6) . . ? 
C1Q P1A Au1 123.5(7) . . ? 
C1R P1B C1D 103.1(8) . . ? 
C1R P1B C1C 101.3(7) . . ? 
C1D P1B C1C 105.2(7) . . ? 
C1R P1B Au1 122.4(6) . . ? 
C1D P1B Au1 114.7(5) . . ? 
C1C P1B Au1 108.2(5) . . ? 
C1N P6A C1M 104.1(8) . . ? 
C1N P6A C4T 105.1(8) . . ? 
C1M P6A C4T 102.3(7) . . ? 
C1N P6A Au6 110.4(6) . . ? 
C1M P6A Au6 108.9(5) . . ? 
C4T P6A Au6 124.2(6) . . ? 
C1O P6B C4S 105.3(9) . . ? 
C1O P6B C1P 106.4(7) . . ? 
C4S P6B C1P 101.6(8) . . ? 
C1O P6B Au6 112.5(6) . . ? 
C4S P6B Au6 118.6(7) . . ? 
C1P P6B Au6 111.2(5) . . ? 
Cl2X C1X Cl1X 107.0(12) . . ? 
Cl2X C1X H1X1 110.3 . . ? 
Cl1X C1X H1X1 110.3 . . ? 
Cl2X C1X H1X2 110.3 . . ? 
Cl1X C1X H1X2 110.3 . . ? 
H1X1 C1X H1X2 108.6 . . ? 
Cl3X C2X Cl4X 101.6(11) . . ? 
Cl3X C2X H2X1 111.4 . . ? 
Cl4X C2X H2X1 111.4 . . ? 
Cl3X C2X H2X2 111.4 . . ? 
Cl4X C2X H2X2 111.4 . . ? 
H2X1 C2X H2X2 109.3 . . ? 
 
_diffrn_measured_fraction_theta_max    0.980 
_diffrn_reflns_theta_full              25.03 
_diffrn_measured_fraction_theta_full   0.980 
_refine_diff_density_max    9.000 
_refine_diff_density_min   -3.470 
_refine_diff_density_rms    0.442 
