data_5
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety 
 '2(C30 H22 Co N6), Bi2 I9, I' 
_chemical_formula_sum 
 'C60 H44 Bi2 Co2 I10 N12' 
_chemical_formula_weight          2737.89 
  
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' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Co'  'Co'   0.3494   0.9721 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'I'  'I'  -0.4742   1.8119 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Bi'  'Bi'  -4.1077  10.2566 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    'C 2/c' 
_symmetry_space_group_name_Hall   '-C 2yc' 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y, -z+1/2' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y, z-1/2' 
 '-x+1/2, -y+1/2, -z' 
 'x+1/2, -y+1/2, z-1/2' 
  
_cell_length_a                    28.0027(10) 
_cell_length_b                    12.4528(5) 
_cell_length_c                    20.7886(8) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  94.2130(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      7229.6(5) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(1) 
_cell_measurement_reflns_used     6282 
_cell_measurement_theta_min       2.359 
_cell_measurement_theta_max       26.329 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             orange 
_exptl_crystal_size_max           0.22 
_exptl_crystal_size_mid           0.14 
_exptl_crystal_size_min           0.06 
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     2.515 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              4952 
_exptl_absorpt_coefficient_mu     9.620 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.6214 
_exptl_absorpt_correction_T_max   1.0000 
_exptl_absorpt_process_details    '(SADABS, Bruker, 2001)' 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       150(1) 
_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 SMART APEX CCD diffractometer' 
_diffrn_measurement_method        'omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             36582 
_diffrn_reflns_av_R_equivalents   0.0352 
_diffrn_reflns_av_sigmaI/netI     0.0259 
_diffrn_reflns_limit_h_min        -34 
_diffrn_reflns_limit_h_max        34 
_diffrn_reflns_limit_k_min        -15 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -25 
_diffrn_reflns_limit_l_max        25 
_diffrn_reflns_theta_min          1.46 
_diffrn_reflns_theta_max          26.39 
_reflns_number_total              7406 
_reflns_number_gt                 6509 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'SMART NT V5.625 (Bruker, 1998)' 
_computing_cell_refinement        'SAINT+ NT V6.22 (Bruker, 2001)' 
_computing_data_reduction         'SAINT+ NT V6.22' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'SHELXTL V6.1 (Sheldrick, 2000)' 
_computing_publication_material   'SHELXTL V6.1' 
  
_refine_special_details 
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0297P)^2^+6.5789P] where P=(Fo^2^+2Fc^2^)/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          7406 
_refine_ls_number_parameters      390 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0306 
_refine_ls_R_factor_gt            0.0251 
_refine_ls_wR_factor_ref          0.0588 
_refine_ls_wR_factor_gt           0.0563 
_refine_ls_goodness_of_fit_ref    1.016 
_refine_ls_restrained_S_all       1.016 
_refine_ls_shift/su_max           0.002 
_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 
Bi1 Bi 0.430540(6) 0.249725(12) 0.211969(7) 0.02454(5) Uani 1 1 d . . . 
I1 I 0.381923(10) 0.04664(2) 0.179486(15) 0.03285(8) Uani 1 1 d . . . 
I2 I 0.345140(11) 0.32887(2) 0.272744(16) 0.03786(8) Uani 1 1 d . . . 
I3 I 0.407281(11) 0.35365(2) 0.083423(13) 0.03324(8) Uani 1 1 d . . . 
I4 I 0.473764(10) 0.15759(2) 0.347050(14) 0.03139(7) Uani 1 1 d . . . 
I5 I 0.5000 0.45347(3) 0.2500 0.02918(9) Uani 1 2 d S . . 
I6 I 0.2500 0.2500 0.5000 0.03629(11) Uani 1 2 d S . . 
Co1 Co 0.13158(2) 0.26754(4) 0.13129(3) 0.02518(13) Uani 1 1 d . . . 
C1 C 0.23991(17) 0.2469(4) 0.0979(2) 0.0383(11) Uani 1 1 d . . . 
H1 H 0.2437 0.3181 0.1139 0.046 Uiso 1 1 calc R . . 
C2 C 0.27956(18) 0.1940(5) 0.0773(2) 0.0463(13) Uani 1 1 d . . . 
H2 H 0.3100 0.2281 0.0798 0.056 Uiso 1 1 calc R . . 
C3 C 0.27425(18) 0.0927(5) 0.0536(2) 0.0495(14) Uani 1 1 d . . . 
H3 H 0.3010 0.0553 0.0392 0.059 Uiso 1 1 calc R . . 
C4 C 0.23014(19) 0.0449(4) 0.0504(2) 0.0428(12) Uani 1 1 d . . . 
H4 H 0.2260 -0.0255 0.0333 0.051 Uiso 1 1 calc R . . 
C5 C 0.19121(16) 0.1002(3) 0.0726(2) 0.0316(10) Uani 1 1 d . . . 
C6 C 0.14257(17) 0.0543(3) 0.0730(2) 0.0315(10) Uani 1 1 d . . . 
C7 C 0.1304(2) -0.0504(4) 0.0552(2) 0.0407(12) Uani 1 1 d . . . 
H7 H 0.1537 -0.0984 0.0408 0.049 Uiso 1 1 calc R . . 
C8 C 0.0839(2) -0.0827(4) 0.0592(2) 0.0501(14) Uani 1 1 d . . . 
H8 H 0.0751 -0.1542 0.0477 0.060 Uiso 1 1 calc R . . 
C9 C 0.04983(19) -0.0135(4) 0.0794(2) 0.0448(13) Uani 1 1 d . . . 
H9 H 0.0176 -0.0360 0.0818 0.054 Uiso 1 1 calc R . . 
C10 C 0.06414(17) 0.0915(4) 0.0965(2) 0.0329(10) Uani 1 1 d . . . 
C11 C 0.03310(16) 0.1753(4) 0.1209(2) 0.0363(11) Uani 1 1 d . . . 
C12 C -0.01604(18) 0.1683(5) 0.1221(3) 0.0517(15) Uani 1 1 d . . . 
H12 H -0.0325 0.1052 0.1073 0.062 Uiso 1 1 calc R . . 
C13 C -0.0411(2) 0.2543(5) 0.1449(3) 0.067(2) Uani 1 1 d . . . 
H13 H -0.0750 0.2513 0.1452 0.080 Uiso 1 1 calc R . . 
C14 C -0.0165(2) 0.3444(5) 0.1673(3) 0.0597(17) Uani 1 1 d . . . 
H14 H -0.0331 0.4039 0.1836 0.072 Uiso 1 1 calc R . . 
C15 C 0.03253(18) 0.3467(4) 0.1656(2) 0.0441(13) Uani 1 1 d . . . 
H15 H 0.0496 0.4084 0.1813 0.053 Uiso 1 1 calc R . . 
C16 C 0.08471(18) 0.4080(4) 0.0186(2) 0.0373(11) Uani 1 1 d . . . 
H16 H 0.0667 0.3451 0.0077 0.045 Uiso 1 1 calc R . . 
C17 C 0.07566(19) 0.4992(4) -0.0182(2) 0.0439(12) Uani 1 1 d . . . 
H17 H 0.0516 0.4999 -0.0529 0.053 Uiso 1 1 calc R . . 
C18 C 0.10298(19) 0.5898(4) -0.0025(2) 0.0443(12) Uani 1 1 d . . . 
H18 H 0.0986 0.6533 -0.0276 0.053 Uiso 1 1 calc R . . 
C19 C 0.13669(18) 0.5875(4) 0.0498(2) 0.0383(11) Uani 1 1 d . . . 
H19 H 0.1552 0.6494 0.0615 0.046 Uiso 1 1 calc R . . 
C20 C 0.14290(16) 0.4933(3) 0.0846(2) 0.0292(9) Uani 1 1 d . . . 
C21 C 0.17472(15) 0.4836(3) 0.1437(2) 0.0292(9) Uani 1 1 d . . . 
C22 C 0.20780(16) 0.5605(4) 0.1676(2) 0.0371(11) Uani 1 1 d . . . 
H22 H 0.2126 0.6248 0.1444 0.045 Uiso 1 1 calc R . . 
C23 C 0.23332(16) 0.5408(4) 0.2259(2) 0.0373(11) Uani 1 1 d . . . 
H23 H 0.2569 0.5906 0.2423 0.045 Uiso 1 1 calc R . . 
C24 C 0.22469(15) 0.4489(4) 0.2602(2) 0.0333(10) Uani 1 1 d . . . 
H24 H 0.2413 0.4363 0.3011 0.040 Uiso 1 1 calc R . . 
C25 C 0.19177(14) 0.3760(3) 0.2347(2) 0.0262(9) Uani 1 1 d . . . 
C26 C 0.17643(15) 0.2758(3) 0.2663(2) 0.0265(9) Uani 1 1 d . . . 
C27 C 0.18958(18) 0.2501(3) 0.3301(2) 0.0340(11) Uani 1 1 d . . . 
H27 H 0.2103 0.2960 0.3558 0.041 Uiso 1 1 calc R . . 
C28 C 0.17233(18) 0.1577(4) 0.3557(2) 0.0384(11) Uani 1 1 d . . . 
H28 H 0.1810 0.1389 0.3993 0.046 Uiso 1 1 calc R . . 
C29 C 0.14204(17) 0.0920(4) 0.3172(2) 0.0348(10) Uani 1 1 d . . . 
H29 H 0.1296 0.0276 0.3340 0.042 Uiso 1 1 calc R . . 
C30 C 0.13042(16) 0.1222(3) 0.2544(2) 0.0327(10) Uani 1 1 d . . . 
H30 H 0.1098 0.0773 0.2279 0.039 Uiso 1 1 calc R . . 
N1 N 0.19629(13) 0.2017(3) 0.09609(17) 0.0305(8) Uani 1 1 d . . . 
N2 N 0.10965(13) 0.1218(3) 0.09323(16) 0.0289(8) Uani 1 1 d . . . 
N3 N 0.05695(14) 0.2647(3) 0.14254(19) 0.0352(9) Uani 1 1 d . . . 
N4 N 0.11731(13) 0.4037(3) 0.06835(17) 0.0291(8) Uani 1 1 d . . . 
N5 N 0.16825(12) 0.3931(3) 0.17718(17) 0.0265(8) Uani 1 1 d . . . 
N6 N 0.14714(13) 0.2130(3) 0.22893(17) 0.0283(8) Uani 1 1 d . . . 
  
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Bi1 0.02502(9) 0.02278(9) 0.02626(9) 0.00156(6) 0.00475(6) 0.00079(6) 
I1 0.02802(15) 0.02633(15) 0.04524(18) -0.00138(12) 0.00969(12) -0.00295(11) 
I2 0.03345(17) 0.03251(16) 0.04937(19) 0.00023(14) 0.01493(13) 0.00700(13) 
I3 0.04407(18) 0.03042(15) 0.02495(15) 0.00155(12) 0.00063(12) -0.00016(13) 
I4 0.02847(15) 0.03364(16) 0.03270(16) 0.00944(12) 0.00664(12) 0.00220(12) 
I5 0.0358(2) 0.02229(19) 0.0293(2) 0.000 0.00176(16) 0.000 
I6 0.0461(3) 0.0283(2) 0.0340(2) 0.00228(17) -0.00004(19) -0.00464(18) 
Co1 0.0261(3) 0.0194(3) 0.0303(3) -0.0014(2) 0.0041(2) 0.0008(2) 
C1 0.031(3) 0.040(3) 0.044(3) -0.007(2) 0.005(2) 0.000(2) 
C2 0.028(3) 0.061(3) 0.050(3) -0.007(3) 0.004(2) 0.004(2) 
C3 0.036(3) 0.066(4) 0.047(3) -0.013(3) 0.009(2) 0.018(3) 
C4 0.054(3) 0.035(3) 0.040(3) -0.009(2) 0.005(2) 0.016(2) 
C5 0.039(3) 0.027(2) 0.028(2) 0.0002(18) -0.0020(19) 0.010(2) 
C6 0.050(3) 0.024(2) 0.020(2) 0.0007(17) 0.0006(19) 0.002(2) 
C7 0.067(4) 0.024(2) 0.032(3) -0.0024(19) 0.009(2) -0.004(2) 
C8 0.086(4) 0.030(3) 0.033(3) -0.006(2) 0.001(3) -0.020(3) 
C9 0.052(3) 0.046(3) 0.035(3) 0.009(2) -0.003(2) -0.027(3) 
C10 0.038(3) 0.034(2) 0.026(2) 0.0048(19) -0.0043(19) -0.010(2) 
C11 0.032(3) 0.042(3) 0.034(3) 0.016(2) -0.002(2) -0.006(2) 
C12 0.031(3) 0.069(4) 0.054(3) 0.037(3) 0.002(2) -0.008(3) 
C13 0.029(3) 0.090(5) 0.083(5) 0.058(4) 0.013(3) 0.014(3) 
C14 0.042(3) 0.060(4) 0.081(4) 0.040(3) 0.028(3) 0.022(3) 
C15 0.039(3) 0.042(3) 0.053(3) 0.012(2) 0.017(2) 0.015(2) 
C16 0.047(3) 0.036(3) 0.028(2) -0.003(2) 0.002(2) 0.003(2) 
C17 0.057(3) 0.048(3) 0.027(3) 0.003(2) 0.004(2) 0.011(3) 
C18 0.060(3) 0.038(3) 0.037(3) 0.012(2) 0.013(2) 0.012(3) 
C19 0.052(3) 0.024(2) 0.040(3) 0.005(2) 0.011(2) 0.001(2) 
C20 0.032(2) 0.024(2) 0.033(2) -0.0019(18) 0.0132(19) 0.0023(18) 
C21 0.028(2) 0.023(2) 0.038(3) -0.0031(19) 0.0113(19) 0.0010(18) 
C22 0.034(3) 0.028(2) 0.051(3) 0.000(2) 0.012(2) -0.003(2) 
C23 0.027(2) 0.032(2) 0.055(3) -0.005(2) 0.008(2) -0.006(2) 
C24 0.025(2) 0.037(3) 0.038(3) -0.007(2) 0.0044(19) 0.0010(19) 
C25 0.023(2) 0.024(2) 0.032(2) -0.0058(18) 0.0064(17) 0.0056(17) 
C26 0.025(2) 0.022(2) 0.033(2) -0.0044(18) 0.0067(18) 0.0055(17) 
C27 0.039(3) 0.030(2) 0.033(2) -0.0054(19) -0.002(2) 0.0036(19) 
C28 0.047(3) 0.038(3) 0.031(2) 0.007(2) 0.005(2) 0.008(2) 
C29 0.043(3) 0.031(2) 0.031(2) 0.007(2) 0.008(2) 0.002(2) 
C30 0.037(3) 0.026(2) 0.035(3) 0.0007(19) 0.004(2) -0.0024(19) 
N1 0.032(2) 0.0272(19) 0.033(2) -0.0010(16) 0.0026(16) 0.0039(16) 
N2 0.034(2) 0.0282(19) 0.0234(18) 0.0025(15) -0.0040(15) -0.0039(16) 
N3 0.029(2) 0.038(2) 0.040(2) 0.0106(18) 0.0084(17) 0.0069(17) 
N4 0.032(2) 0.0247(18) 0.031(2) -0.0004(15) 0.0066(16) 0.0029(15) 
N5 0.0259(19) 0.0212(17) 0.033(2) -0.0031(15) 0.0068(15) 0.0012(15) 
N6 0.029(2) 0.0253(18) 0.032(2) 0.0009(16) 0.0051(15) 0.0030(16) 
  
_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 
Bi1 I1 2.9275(3) . ? 
Bi1 I2 2.9547(3) . ? 
Bi1 I3 2.9974(3) . ? 
Bi1 I4 3.1887(3) . ? 
Bi1 I4 3.2383(3) 2_655 ? 
Bi1 I5 3.2588(3) . ? 
I4 Bi1 3.2382(3) 2_655 ? 
I5 Bi1 3.2589(3) 2_655 ? 
Co1 N2 2.056(3) . ? 
Co1 N5 2.066(3) . ? 
Co1 N3 2.120(4) . ? 
Co1 N6 2.154(4) . ? 
Co1 N4 2.161(4) . ? 
Co1 N1 2.165(4) . ? 
C1 N1 1.343(6) . ? 
C1 C2 1.385(7) . ? 
C1 H1 0.9500 . ? 
C2 C3 1.359(7) . ? 
C2 H2 0.9500 . ? 
C3 C4 1.369(7) . ? 
C3 H3 0.9500 . ? 
C4 C5 1.396(6) . ? 
C4 H4 0.9500 . ? 
C5 N1 1.359(5) . ? 
C5 C6 1.478(6) . ? 
C6 N2 1.338(6) . ? 
C6 C7 1.391(6) . ? 
C7 C8 1.371(7) . ? 
C7 H7 0.9500 . ? 
C8 C9 1.374(8) . ? 
C8 H8 0.9500 . ? 
C9 C10 1.406(6) . ? 
C9 H9 0.9500 . ? 
C10 N2 1.335(6) . ? 
C10 C11 1.471(7) . ? 
C11 N3 1.358(6) . ? 
C11 C12 1.381(7) . ? 
C12 C13 1.383(8) . ? 
C12 H12 0.9500 . ? 
C13 C14 1.379(9) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.377(7) . ? 
C14 H14 0.9500 . ? 
C15 N3 1.337(6) . ? 
C15 H15 0.9500 . ? 
C16 N4 1.330(6) . ? 
C16 C17 1.382(7) . ? 
C16 H16 0.9500 . ? 
C17 C18 1.389(7) . ? 
C17 H17 0.9500 . ? 
C18 C19 1.387(7) . ? 
C18 H18 0.9500 . ? 
C19 C20 1.382(6) . ? 
C19 H19 0.9500 . ? 
C20 N4 1.355(5) . ? 
C20 C21 1.468(6) . ? 
C21 N5 1.344(5) . ? 
C21 C22 1.398(6) . ? 
C22 C23 1.382(7) . ? 
C22 H22 0.9500 . ? 
C23 C24 1.379(6) . ? 
C23 H23 0.9500 . ? 
C24 C25 1.373(6) . ? 
C24 H24 0.9500 . ? 
C25 N5 1.339(5) . ? 
C25 C26 1.488(6) . ? 
C26 N6 1.339(5) . ? 
C26 C27 1.389(6) . ? 
C27 C28 1.370(6) . ? 
C27 H27 0.9500 . ? 
C28 C29 1.390(6) . ? 
C28 H28 0.9500 . ? 
C29 C30 1.376(6) . ? 
C29 H29 0.9500 . ? 
C30 N6 1.347(5) . ? 
C30 H30 0.9500 . ? 
  
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 
I1 Bi1 I2 90.545(10) . . ? 
I1 Bi1 I3 95.765(9) . . ? 
I2 Bi1 I3 96.172(10) . . ? 
I1 Bi1 I4 91.852(9) . . ? 
I2 Bi1 I4 90.587(9) . . ? 
I3 Bi1 I4 169.753(10) . . ? 
I1 Bi1 I4 89.445(8) . 2_655 ? 
I2 Bi1 I4 176.859(10) . 2_655 ? 
I3 Bi1 I4 86.954(9) . 2_655 ? 
I4 Bi1 I4 86.275(9) . 2_655 ? 
I1 Bi1 I5 171.010(9) . . ? 
I2 Bi1 I5 97.121(8) . . ? 
I3 Bi1 I5 88.100(8) . . ? 
I4 Bi1 I5 83.414(7) . . ? 
I4 Bi1 I5 82.643(7) 2_655 . ? 
Bi1 I4 Bi1 79.049(8) . 2_655 ? 
Bi1 I5 Bi1 77.741(10) . 2_655 ? 
N2 Co1 N5 166.06(14) . . ? 
N2 Co1 N3 76.04(15) . . ? 
N5 Co1 N3 114.98(14) . . ? 
N2 Co1 N6 96.79(13) . . ? 
N5 Co1 N6 75.19(14) . . ? 
N3 Co1 N6 91.35(14) . . ? 
N2 Co1 N4 115.03(14) . . ? 
N5 Co1 N4 75.46(14) . . ? 
N3 Co1 N4 86.56(14) . . ? 
N6 Co1 N4 146.45(13) . . ? 
N2 Co1 N1 76.67(14) . . ? 
N5 Co1 N1 92.44(14) . . ? 
N3 Co1 N1 152.55(15) . . ? 
N6 Co1 N1 94.75(14) . . ? 
N4 Co1 N1 102.38(13) . . ? 
N1 C1 C2 122.7(5) . . ? 
N1 C1 H1 118.7 . . ? 
C2 C1 H1 118.7 . . ? 
C3 C2 C1 119.0(5) . . ? 
C3 C2 H2 120.5 . . ? 
C1 C2 H2 120.5 . . ? 
C2 C3 C4 119.7(5) . . ? 
C2 C3 H3 120.1 . . ? 
C4 C3 H3 120.1 . . ? 
C3 C4 C5 119.5(5) . . ? 
C3 C4 H4 120.2 . . ? 
C5 C4 H4 120.2 . . ? 
N1 C5 C4 120.9(4) . . ? 
N1 C5 C6 115.5(4) . . ? 
C4 C5 C6 123.6(4) . . ? 
N2 C6 C7 120.7(4) . . ? 
N2 C6 C5 114.5(4) . . ? 
C7 C6 C5 124.7(4) . . ? 
C8 C7 C6 118.3(5) . . ? 
C8 C7 H7 120.8 . . ? 
C6 C7 H7 120.8 . . ? 
C7 C8 C9 121.2(5) . . ? 
C7 C8 H8 119.4 . . ? 
C9 C8 H8 119.4 . . ? 
C8 C9 C10 118.0(5) . . ? 
C8 C9 H9 121.0 . . ? 
C10 C9 H9 121.0 . . ? 
N2 C10 C9 120.3(5) . . ? 
N2 C10 C11 114.1(4) . . ? 
C9 C10 C11 125.6(4) . . ? 
N3 C11 C12 120.8(5) . . ? 
N3 C11 C10 114.0(4) . . ? 
C12 C11 C10 125.2(5) . . ? 
C11 C12 C13 119.3(6) . . ? 
C11 C12 H12 120.4 . . ? 
C13 C12 H12 120.4 . . ? 
C14 C13 C12 119.5(5) . . ? 
C14 C13 H13 120.2 . . ? 
C12 C13 H13 120.2 . . ? 
C15 C14 C13 118.8(6) . . ? 
C15 C14 H14 120.6 . . ? 
C13 C14 H14 120.6 . . ? 
N3 C15 C14 122.1(5) . . ? 
N3 C15 H15 119.0 . . ? 
C14 C15 H15 119.0 . . ? 
N4 C16 C17 123.4(5) . . ? 
N4 C16 H16 118.3 . . ? 
C17 C16 H16 118.3 . . ? 
C16 C17 C18 117.6(5) . . ? 
C16 C17 H17 121.2 . . ? 
C18 C17 H17 121.2 . . ? 
C19 C18 C17 119.9(5) . . ? 
C19 C18 H18 120.1 . . ? 
C17 C18 H18 120.1 . . ? 
C20 C19 C18 118.7(5) . . ? 
C20 C19 H19 120.7 . . ? 
C18 C19 H19 120.7 . . ? 
N4 C20 C19 121.6(4) . . ? 
N4 C20 C21 114.7(4) . . ? 
C19 C20 C21 123.5(4) . . ? 
N5 C21 C22 120.0(4) . . ? 
N5 C21 C20 113.9(4) . . ? 
C22 C21 C20 126.0(4) . . ? 
C23 C22 C21 118.5(4) . . ? 
C23 C22 H22 120.8 . . ? 
C21 C22 H22 120.8 . . ? 
C24 C23 C22 120.2(4) . . ? 
C24 C23 H23 119.9 . . ? 
C22 C23 H23 119.9 . . ? 
C25 C24 C23 119.1(4) . . ? 
C25 C24 H24 120.5 . . ? 
C23 C24 H24 120.5 . . ? 
N5 C25 C24 120.8(4) . . ? 
N5 C25 C26 112.9(4) . . ? 
C24 C25 C26 126.2(4) . . ? 
N6 C26 C27 121.8(4) . . ? 
N6 C26 C25 114.7(4) . . ? 
C27 C26 C25 123.4(4) . . ? 
C28 C27 C26 119.3(4) . . ? 
C28 C27 H27 120.4 . . ? 
C26 C27 H27 120.4 . . ? 
C27 C28 C29 119.2(4) . . ? 
C27 C28 H28 120.4 . . ? 
C29 C28 H28 120.4 . . ? 
C30 C29 C28 118.5(4) . . ? 
C30 C29 H29 120.7 . . ? 
C28 C29 H29 120.7 . . ? 
N6 C30 C29 122.5(4) . . ? 
N6 C30 H30 118.7 . . ? 
C29 C30 H30 118.7 . . ? 
C1 N1 C5 118.1(4) . . ? 
C1 N1 Co1 127.9(3) . . ? 
C5 N1 Co1 113.9(3) . . ? 
C10 N2 C6 121.4(4) . . ? 
C10 N2 Co1 119.2(3) . . ? 
C6 N2 Co1 118.8(3) . . ? 
C15 N3 C11 119.5(4) . . ? 
C15 N3 Co1 124.1(3) . . ? 
C11 N3 Co1 116.2(3) . . ? 
C16 N4 C20 118.8(4) . . ? 
C16 N4 Co1 126.0(3) . . ? 
C20 N4 Co1 115.1(3) . . ? 
C25 N5 C21 121.4(4) . . ? 
C25 N5 Co1 119.1(3) . . ? 
C21 N5 Co1 118.5(3) . . ? 
C26 N6 C30 118.6(4) . . ? 
C26 N6 Co1 115.8(3) . . ? 
C30 N6 Co1 125.6(3) . . ? 
  
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 
I1 Bi1 I4 Bi1 128.332(8) . . . 2_655 ? 
I2 Bi1 I4 Bi1 -141.104(8) . . . 2_655 ? 
I3 Bi1 I4 Bi1 -9.73(5) . . . 2_655 ? 
I4 Bi1 I4 Bi1 39.009(10) 2_655 . . 2_655 ? 
I5 Bi1 I4 Bi1 -44.004(6) . . . 2_655 ? 
I2 Bi1 I5 Bi1 133.679(9) . . . 2_655 ? 
I3 Bi1 I5 Bi1 -130.336(8) . . . 2_655 ? 
I4 Bi1 I5 Bi1 43.911(6) . . . 2_655 ? 
I4 Bi1 I5 Bi1 -43.164(6) 2_655 . . 2_655 ? 
N1 C1 C2 C3 0.8(8) . . . . ? 
C1 C2 C3 C4 0.0(8) . . . . ? 
C2 C3 C4 C5 -0.9(8) . . . . ? 
C3 C4 C5 N1 1.2(7) . . . . ? 
C3 C4 C5 C6 -178.1(5) . . . . ? 
N1 C5 C6 N2 3.6(5) . . . . ? 
C4 C5 C6 N2 -177.0(4) . . . . ? 
N1 C5 C6 C7 -175.4(4) . . . . ? 
C4 C5 C6 C7 4.0(7) . . . . ? 
N2 C6 C7 C8 -0.1(7) . . . . ? 
C5 C6 C7 C8 178.8(4) . . . . ? 
C6 C7 C8 C9 0.7(7) . . . . ? 
C7 C8 C9 C10 -0.5(7) . . . . ? 
C8 C9 C10 N2 -0.3(7) . . . . ? 
C8 C9 C10 C11 -178.2(4) . . . . ? 
N2 C10 C11 N3 -6.9(5) . . . . ? 
C9 C10 C11 N3 171.1(4) . . . . ? 
N2 C10 C11 C12 172.3(4) . . . . ? 
C9 C10 C11 C12 -9.7(7) . . . . ? 
N3 C11 C12 C13 0.7(7) . . . . ? 
C10 C11 C12 C13 -178.4(5) . . . . ? 
C11 C12 C13 C14 -1.3(8) . . . . ? 
C12 C13 C14 C15 0.7(8) . . . . ? 
C13 C14 C15 N3 0.5(8) . . . . ? 
N4 C16 C17 C18 1.3(7) . . . . ? 
C16 C17 C18 C19 -2.2(7) . . . . ? 
C17 C18 C19 C20 1.2(7) . . . . ? 
C18 C19 C20 N4 0.7(7) . . . . ? 
C18 C19 C20 C21 -175.1(4) . . . . ? 
N4 C20 C21 N5 -9.2(5) . . . . ? 
C19 C20 C21 N5 166.9(4) . . . . ? 
N4 C20 C21 C22 174.0(4) . . . . ? 
C19 C20 C21 C22 -9.9(7) . . . . ? 
N5 C21 C22 C23 0.1(6) . . . . ? 
C20 C21 C22 C23 176.8(4) . . . . ? 
C21 C22 C23 C24 -2.4(7) . . . . ? 
C22 C23 C24 C25 2.4(7) . . . . ? 
C23 C24 C25 N5 0.0(6) . . . . ? 
C23 C24 C25 C26 -176.9(4) . . . . ? 
N5 C25 C26 N6 8.8(5) . . . . ? 
C24 C25 C26 N6 -174.1(4) . . . . ? 
N5 C25 C26 C27 -168.8(4) . . . . ? 
C24 C25 C26 C27 8.3(7) . . . . ? 
N6 C26 C27 C28 0.3(7) . . . . ? 
C25 C26 C27 C28 177.7(4) . . . . ? 
C26 C27 C28 C29 -0.1(7) . . . . ? 
C27 C28 C29 C30 0.0(7) . . . . ? 
C28 C29 C30 N6 -0.2(7) . . . . ? 
C2 C1 N1 C5 -0.5(7) . . . . ? 
C2 C1 N1 Co1 175.9(4) . . . . ? 
C4 C5 N1 C1 -0.5(6) . . . . ? 
C6 C5 N1 C1 178.9(4) . . . . ? 
C4 C5 N1 Co1 -177.4(3) . . . . ? 
C6 C5 N1 Co1 2.0(5) . . . . ? 
N2 Co1 N1 C1 178.9(4) . . . . ? 
N5 Co1 N1 C1 -9.9(4) . . . . ? 
N3 Co1 N1 C1 172.6(4) . . . . ? 
N6 Co1 N1 C1 -85.2(4) . . . . ? 
N4 Co1 N1 C1 65.8(4) . . . . ? 
N2 Co1 N1 C5 -4.6(3) . . . . ? 
N5 Co1 N1 C5 166.6(3) . . . . ? 
N3 Co1 N1 C5 -10.9(5) . . . . ? 
N6 Co1 N1 C5 91.3(3) . . . . ? 
N4 Co1 N1 C5 -117.7(3) . . . . ? 
C9 C10 N2 C6 0.9(6) . . . . ? 
C11 C10 N2 C6 179.0(4) . . . . ? 
C9 C10 N2 Co1 -170.8(3) . . . . ? 
C11 C10 N2 Co1 7.3(5) . . . . ? 
C7 C6 N2 C10 -0.6(6) . . . . ? 
C5 C6 N2 C10 -179.7(4) . . . . ? 
C7 C6 N2 Co1 171.1(3) . . . . ? 
C5 C6 N2 Co1 -7.9(5) . . . . ? 
N5 Co1 N2 C10 139.5(5) . . . . ? 
N3 Co1 N2 C10 -4.2(3) . . . . ? 
N6 Co1 N2 C10 85.5(3) . . . . ? 
N4 Co1 N2 C10 -83.6(3) . . . . ? 
N1 Co1 N2 C10 178.8(3) . . . . ? 
N5 Co1 N2 C6 -32.5(8) . . . . ? 
N3 Co1 N2 C6 -176.1(3) . . . . ? 
N6 Co1 N2 C6 -86.4(3) . . . . ? 
N4 Co1 N2 C6 104.5(3) . . . . ? 
N1 Co1 N2 C6 6.9(3) . . . . ? 
C14 C15 N3 C11 -1.1(7) . . . . ? 
C14 C15 N3 Co1 174.7(4) . . . . ? 
C12 C11 N3 C15 0.4(7) . . . . ? 
C10 C11 N3 C15 179.7(4) . . . . ? 
C12 C11 N3 Co1 -175.7(3) . . . . ? 
C10 C11 N3 Co1 3.6(5) . . . . ? 
N2 Co1 N3 C15 -175.9(4) . . . . ? 
N5 Co1 N3 C15 13.2(4) . . . . ? 
N6 Co1 N3 C15 87.4(4) . . . . ? 
N4 Co1 N3 C15 -59.1(4) . . . . ? 
N1 Co1 N3 C15 -169.6(3) . . . . ? 
N2 Co1 N3 C11 0.0(3) . . . . ? 
N5 Co1 N3 C11 -170.9(3) . . . . ? 
N6 Co1 N3 C11 -96.6(3) . . . . ? 
N4 Co1 N3 C11 116.9(3) . . . . ? 
N1 Co1 N3 C11 6.4(5) . . . . ? 
C17 C16 N4 C20 0.6(7) . . . . ? 
C17 C16 N4 Co1 176.9(4) . . . . ? 
C19 C20 N4 C16 -1.6(6) . . . . ? 
C21 C20 N4 C16 174.5(4) . . . . ? 
C19 C20 N4 Co1 -178.3(3) . . . . ? 
C21 C20 N4 Co1 -2.1(5) . . . . ? 
N2 Co1 N4 C16 21.5(4) . . . . ? 
N5 Co1 N4 C16 -168.2(4) . . . . ? 
N3 Co1 N4 C16 -51.3(4) . . . . ? 
N6 Co1 N4 C16 -138.6(4) . . . . ? 
N1 Co1 N4 C16 102.4(4) . . . . ? 
N2 Co1 N4 C20 -162.1(3) . . . . ? 
N5 Co1 N4 C20 8.1(3) . . . . ? 
N3 Co1 N4 C20 125.1(3) . . . . ? 
N6 Co1 N4 C20 37.8(4) . . . . ? 
N1 Co1 N4 C20 -81.2(3) . . . . ? 
C24 C25 N5 C21 -2.4(6) . . . . ? 
C26 C25 N5 C21 175.0(4) . . . . ? 
C24 C25 N5 Co1 165.8(3) . . . . ? 
C26 C25 N5 Co1 -16.9(4) . . . . ? 
C22 C21 N5 C25 2.3(6) . . . . ? 
C20 C21 N5 C25 -174.8(4) . . . . ? 
C22 C21 N5 Co1 -165.9(3) . . . . ? 
C20 C21 N5 Co1 17.0(5) . . . . ? 
N2 Co1 N5 C25 -42.0(7) . . . . ? 
N3 Co1 N5 C25 98.6(3) . . . . ? 
N6 Co1 N5 C25 14.1(3) . . . . ? 
N4 Co1 N5 C25 177.6(3) . . . . ? 
N1 Co1 N5 C25 -80.2(3) . . . . ? 
N2 Co1 N5 C21 126.4(6) . . . . ? 
N3 Co1 N5 C21 -93.0(3) . . . . ? 
N6 Co1 N5 C21 -177.4(3) . . . . ? 
N4 Co1 N5 C21 -13.9(3) . . . . ? 
N1 Co1 N5 C21 88.3(3) . . . . ? 
C27 C26 N6 C30 -0.5(6) . . . . ? 
C25 C26 N6 C30 -178.1(4) . . . . ? 
C27 C26 N6 Co1 -179.8(3) . . . . ? 
C25 C26 N6 Co1 2.6(4) . . . . ? 
C29 C30 N6 C26 0.4(6) . . . . ? 
C29 C30 N6 Co1 179.7(3) . . . . ? 
N2 Co1 N6 C26 160.0(3) . . . . ? 
N5 Co1 N6 C26 -8.4(3) . . . . ? 
N3 Co1 N6 C26 -123.9(3) . . . . ? 
N4 Co1 N6 C26 -38.1(4) . . . . ? 
N1 Co1 N6 C26 82.9(3) . . . . ? 
N2 Co1 N6 C30 -19.3(4) . . . . ? 
N5 Co1 N6 C30 172.3(4) . . . . ? 
N3 Co1 N6 C30 56.8(4) . . . . ? 
N4 Co1 N6 C30 142.6(3) . . . . ? 
N1 Co1 N6 C30 -96.4(4) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              26.39 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.805 
_refine_diff_density_min   -0.500 
_refine_diff_density_rms    0.123