#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:59:06 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179498 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/95/4339557.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4339557
loop_
_publ_author_name
'Chai, Wen-Xiang'
'Wu, Li-Ming'
'Li, Jun-Qian'
'Chen, Ling'
_publ_section_title
;
 A series of new copper iodobismuthates: structural relationships, optical
 band gaps affected by dimensionality, and distinct thermal stabilities.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8698
_journal_page_last               8704
_journal_paper_doi               10.1021/ic700904d
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C16 H36 N, 0.5(C4 H6 Bi2 Cu2 I10 N2)'
_chemical_formula_sum            'C18 H39 Bi Cu I5 N2'
_chemical_formula_weight         1190.54
_chemical_name_common            'compound 1'
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.667(4)
_cell_angle_beta                 91.2050(10)
_cell_angle_gamma                117.254(2)
_cell_formula_units_Z            2
_cell_length_a                   12.035(5)
_cell_length_b                   12.357(5)
_cell_length_c                   13.231(5)
_cell_measurement_reflns_used    4177
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.0770
_cell_volume                     1610.7(11)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0446
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            12324
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    10.915
_exptl_absorpt_correction_T_max  0.1975
_exptl_absorpt_correction_T_min  0.1071
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.455
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.941
_refine_diff_density_min         -2.200
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         7244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0491P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0977
_reflns_number_gt                5734
_reflns_number_total             7244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700904d-file004.cif
_cod_data_source_block           1.CIF
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4339557
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Bi1 Bi 0.08379(2) 0.21765(2) 0.66323(2) 0.04100(9) Uani 1 1 d .
I1 I -0.01682(5) 0.32604(5) 0.84854(4) 0.05844(14) Uani 1 1 d .
I2 I 0.33015(5) 0.45635(6) 0.72475(5) 0.07693(18) Uani 1 1 d .
I3 I 0.17784(5) 0.09365(5) 0.78560(4) 0.05666(14) Uani 1 1 d .
I4 I -0.04638(5) 0.28486(5) 0.50789(4) 0.05881(14) Uani 1 1 d .
I5 I 0.17552(4) 0.07843(5) 0.45184(4) 0.04838(12) Uani 1 1 d .
Cu1 Cu 0.21014(10) -0.02809(12) 0.58886(9) 0.0713(3) Uani 1 1 d .
N1 N 0.3935(7) 0.0180(8) 0.6160(6) 0.072(2) Uani 1 1 d .
N11 N 0.1776(5) 0.3778(5) 0.2107(5) 0.0483(13) Uani 1 1 d .
C1 C 0.4956(8) 0.0491(8) 0.6386(7) 0.063(2) Uani 1 1 d .
C2 C 0.6316(8) 0.0938(10) 0.6711(8) 0.083(3) Uani 1 1 d .
H2A H 0.6823 0.1771 0.6650 0.125 Uiso 1 1 calc R
H2B H 0.6515 0.0298 0.6240 0.125 Uiso 1 1 calc R
H2C H 0.6500 0.1039 0.7457 0.125 Uiso 1 1 calc R
C11 C 0.1755(8) 0.2582(7) 0.2216(7) 0.060(2) Uani 1 1 d .
H11A H 0.2616 0.2835 0.2528 0.072 Uiso 1 1 calc R
H11B H 0.1225 0.2348 0.2733 0.072 Uiso 1 1 calc R
C12 C 0.1280(9) 0.1388(8) 0.1183(7) 0.069(2) Uani 1 1 d .
H12A H 0.1535 0.1660 0.0580 0.083 Uiso 1 1 calc R
H12B H 0.0353 0.0903 0.1035 0.083 Uiso 1 1 calc R
C13 C 0.1796(11) 0.0468(10) 0.1241(8) 0.085(3) Uani 1 1 d .
H13A H 0.1652 0.0329 0.1917 0.102 Uiso 1 1 calc R
H13B H 0.1274 -0.0382 0.0642 0.102 Uiso 1 1 calc R
C14 C 0.3070(11) 0.0841(12) 0.1201(10) 0.111(4) Uani 1 1 d .
H14A H 0.3276 0.1111 0.0598 0.166 Uiso 1 1 calc R
H14B H 0.3202 0.0106 0.1102 0.166 Uiso 1 1 calc R
H14C H 0.3609 0.1562 0.1875 0.166 Uiso 1 1 calc R
C21 C 0.2077(8) 0.4833(8) 0.3264(6) 0.066(2) Uani 1 1 d .
H21A H 0.2035 0.5568 0.3188 0.079 Uiso 1 1 calc R
H21B H 0.1415 0.4457 0.3645 0.079 Uiso 1 1 calc R
C22 C 0.3344(9) 0.5357(10) 0.3961(7) 0.084(3) Uani 1 1 d .
H22A H 0.4023 0.5740 0.3596 0.101 Uiso 1 1 calc R
H22B H 0.3393 0.4644 0.4076 0.101 Uiso 1 1 calc R
C23 C 0.3501(10) 0.6394(10) 0.5049(8) 0.090(3) Uani 1 1 d .
H23A H 0.3374 0.7060 0.4919 0.108 Uiso 1 1 calc R
H23B H 0.2848 0.5986 0.5424 0.108 Uiso 1 1 calc R
C24 C 0.4757(11) 0.7033(12) 0.5756(10) 0.140(6) Uani 1 1 d .
H24A H 0.4981 0.6375 0.5739 0.209 Uiso 1 1 calc R
H24B H 0.4733 0.7493 0.6495 0.209 Uiso 1 1 calc R
H24C H 0.5382 0.7650 0.5500 0.209 Uiso 1 1 calc R
C31 C 0.2776(7) 0.4302(7) 0.1456(7) 0.0582(19) Uani 1 1 d .
H31A H 0.3568 0.4407 0.1781 0.070 Uiso 1 1 calc R
H31B H 0.2502 0.3637 0.0715 0.070 Uiso 1 1 calc R
C32 C 0.3056(8) 0.5583(9) 0.1384(8) 0.072(2) Uani 1 1 d .
H32A H 0.2267 0.5518 0.1104 0.087 Uiso 1 1 calc R
H32B H 0.3420 0.6284 0.2111 0.087 Uiso 1 1 calc R
C33 C 0.3972(10) 0.5913(10) 0.0644(9) 0.088(3) Uani 1 1 d .
H33A H 0.4751 0.5964 0.0930 0.106 Uiso 1 1 calc R
H33B H 0.3603 0.5197 -0.0075 0.106 Uiso 1 1 calc R
C34 C 0.4308(10) 0.7175(10) 0.0516(9) 0.096(3) Uani 1 1 d .
H34A H 0.3624 0.7369 0.0642 0.144 Uiso 1 1 calc R
H34B H 0.4439 0.7089 -0.0214 0.144 Uiso 1 1 calc R
H34C H 0.5077 0.7880 0.1038 0.144 Uiso 1 1 calc R
C41 C 0.0495(7) 0.3443(8) 0.1514(6) 0.0551(18) Uani 1 1 d .
H41A H 0.0555 0.4249 0.1502 0.066 Uiso 1 1 calc R
H41B H 0.0330 0.2848 0.0760 0.066 Uiso 1 1 calc R
C42 C -0.0632(8) 0.2813(9) 0.2009(7) 0.067(2) Uani 1 1 d .
H42A H -0.0469 0.3391 0.2770 0.080 Uiso 1 1 calc R
H42B H -0.0727 0.1985 0.1994 0.080 Uiso 1 1 calc R
C43 C -0.1861(10) 0.2556(11) 0.1396(9) 0.089(3) Uani 1 1 d .
H43A H -0.1777 0.3397 0.1458 0.107 Uiso 1 1 calc R
H43B H -0.1977 0.2043 0.0625 0.107 Uiso 1 1 calc R
C44 C -0.3032(9) 0.1843(12) 0.1791(11) 0.105(4) Uani 1 1 d .
H44A H -0.3192 0.0963 0.1644 0.158 Uiso 1 1 calc R
H44B H -0.3751 0.1801 0.1416 0.158 Uiso 1 1 calc R
H44C H -0.2905 0.2306 0.2567 0.158 Uiso 1 1 calc R
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'
Cu Cu 0.3201 1.2651 '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'
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
I2 Bi1 I1 95.10(3) . .
I2 Bi1 I3 93.87(3) . .
I1 Bi1 I3 93.04(3) . .
I2 Bi1 I4 95.83(3) . .
I1 Bi1 I4 92.13(3) . .
I3 Bi1 I4 168.559(17) . .
I2 Bi1 I5 88.97(3) . .
I1 Bi1 I5 175.926(15) . .
I3 Bi1 I5 86.87(3) . .
I4 Bi1 I5 87.26(3) . .
I2 Bi1 I5 168.177(19) . 2_556
I1 Bi1 I5 96.70(3) . 2_556
I3 Bi1 I5 86.26(3) . 2_556
I4 Bi1 I5 83.01(3) . 2_556
I5 Bi1 I5 79.23(3) . 2_556
I2 Bi1 Bi1 129.03(2) . 2_556
I1 Bi1 Bi1 135.87(2) . 2_556
I3 Bi1 Bi1 85.53(3) . 2_556
I4 Bi1 Bi1 83.65(3) . 2_556
I5 Bi1 Bi1 40.059(16) . 2_556
I5 Bi1 Bi1 39.170(15) 2_556 2_556
Cu1 I3 Bi1 83.77(4) . .
Cu1 I4 Bi1 87.15(4) 2_556 .
Cu1 I5 Bi1 79.79(4) . .
Cu1 I5 Bi1 81.90(4) . 2_556
Bi1 I5 Bi1 100.77(3) . 2_556
N1 Cu1 I4 114.4(2) . 2_556
N1 Cu1 I3 103.9(2) . .
I4 Cu1 I3 115.27(5) 2_556 .
N1 Cu1 I5 109.1(2) . .
I4 Cu1 I5 105.48(5) 2_556 .
I3 Cu1 I5 108.48(5) . .
C1 N1 Cu1 174.9(8) . .
C41 N11 C31 108.2(5) . .
C41 N11 C11 112.3(6) . .
C31 N11 C11 109.0(5) . .
C41 N11 C21 107.3(6) . .
C31 N11 C21 111.3(6) . .
C11 N11 C21 108.8(6) . .
N1 C1 C2 178.4(10) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C12 C11 N11 115.8(6) . .
C12 C11 H11A 108.3 . .
N11 C11 H11A 108.3 . .
C12 C11 H11B 108.3 . .
N11 C11 H11B 108.3 . .
H11A C11 H11B 107.4 . .
C11 C12 C13 112.3(7) . .
C11 C12 H12A 109.1 . .
C13 C12 H12A 109.1 . .
C11 C12 H12B 109.1 . .
C13 C12 H12B 109.1 . .
H12A C12 H12B 107.9 . .
C14 C13 C12 119.4(9) . .
C14 C13 H13A 107.5 . .
C12 C13 H13A 107.5 . .
C14 C13 H13B 107.5 . .
C12 C13 H13B 107.5 . .
H13A C13 H13B 107.0 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C22 C21 N11 115.7(7) . .
C22 C21 H21A 108.4 . .
N11 C21 H21A 108.4 . .
C22 C21 H21B 108.4 . .
N11 C21 H21B 108.4 . .
H21A C21 H21B 107.4 . .
C21 C22 C23 109.0(8) . .
C21 C22 H22A 109.9 . .
C23 C22 H22A 109.9 . .
C21 C22 H22B 109.9 . .
C23 C22 H22B 109.9 . .
H22A C22 H22B 108.3 . .
C24 C23 C22 112.8(10) . .
C24 C23 H23A 109.0 . .
C22 C23 H23A 109.0 . .
C24 C23 H23B 109.0 . .
C22 C23 H23B 109.0 . .
H23A C23 H23B 107.8 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C32 C31 N11 116.8(6) . .
C32 C31 H31A 108.1 . .
N11 C31 H31A 108.1 . .
C32 C31 H31B 108.1 . .
N11 C31 H31B 108.1 . .
H31A C31 H31B 107.3 . .
C33 C32 C31 110.7(8) . .
C33 C32 H32A 109.5 . .
C31 C32 H32A 109.5 . .
C33 C32 H32B 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 108.1 . .
C34 C33 C32 114.7(9) . .
C34 C33 H33A 108.6 . .
C32 C33 H33A 108.6 . .
C34 C33 H33B 108.6 . .
C32 C33 H33B 108.6 . .
H33A C33 H33B 107.6 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C42 C41 N11 115.2(6) . .
C42 C41 H41A 108.5 . .
N11 C41 H41A 108.5 . .
C42 C41 H41B 108.5 . .
N11 C41 H41B 108.5 . .
H41A C41 H41B 107.5 . .
C41 C42 C43 111.9(7) . .
C41 C42 H42A 109.2 . .
C43 C42 H42A 109.2 . .
C41 C42 H42B 109.2 . .
C43 C42 H42B 109.2 . .
H42A C42 H42B 107.9 . .
C44 C43 C42 114.7(9) . .
C44 C43 H43A 108.6 . .
C42 C43 H43A 108.6 . .
C44 C43 H43B 108.6 . .
C42 C43 H43B 108.6 . .
H43A C43 H43B 107.6 . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 I2 2.9028(10) .
Bi1 I1 2.9448(9) .
Bi1 I3 3.0710(9) .
Bi1 I4 3.0940(9) .
Bi1 I5 3.2604(9) .
Bi1 I5 3.3221(11) 2_556
Bi1 Bi1 5.0710(16) 2_556
I3 Cu1 2.6706(15) .
I4 Cu1 2.6501(16) 2_556
I5 Cu1 2.6961(13) .
I5 Bi1 3.3221(11) 2_556
Cu1 N1 2.001(7) .
Cu1 I4 2.6501(16) 2_556
N1 C1 1.105(9) .
N11 C41 1.519(8) .
N11 C31 1.522(9) .
N11 C11 1.522(9) .
N11 C21 1.541(9) .
C1 C2 1.466(11) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C11 C12 1.485(11) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.546(12) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.392(15) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C21 C22 1.493(11) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.509(13) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.461(15) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C31 C32 1.497(11) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.496(12) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.493(13) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C41 C42 1.513(11) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 C43 1.514(12) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 C44 1.497(13) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
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_4
I2 Bi1 I3 Cu1 -95.90(4) . .
I1 Bi1 I3 Cu1 168.77(3) . .
I4 Bi1 I3 Cu1 52.02(9) . .
I5 Bi1 I3 Cu1 -7.15(3) . .
I5 Bi1 I3 Cu1 72.25(3) 2_556 .
Bi1 Bi1 I3 Cu1 32.98(3) 2_556 .
I2 Bi1 I4 Cu1 157.46(3) . 2_556
I1 Bi1 I4 Cu1 -107.19(4) . 2_556
I3 Bi1 I4 Cu1 9.63(9) . 2_556
I5 Bi1 I4 Cu1 68.78(3) . 2_556
I5 Bi1 I4 Cu1 -10.70(3) 2_556 2_556
Bi1 Bi1 I4 Cu1 28.74(3) 2_556 2_556
I2 Bi1 I5 Cu1 101.09(4) . .
I1 Bi1 I5 Cu1 -81.7(2) . .
I3 Bi1 I5 Cu1 7.16(3) . .
I4 Bi1 I5 Cu1 -163.03(3) . .
I5 Bi1 I5 Cu1 -79.63(4) 2_556 .
Bi1 Bi1 I5 Cu1 -79.63(4) 2_556 .
I2 Bi1 I5 Bi1 -179.284(17) . 2_556
I1 Bi1 I5 Bi1 -2.0(2) . 2_556
I3 Bi1 I5 Bi1 86.78(3) . 2_556
I4 Bi1 I5 Bi1 -83.40(3) . 2_556
I5 Bi1 I5 Bi1 0.0 2_556 2_556
Bi1 I3 Cu1 N1 125.1(2) . .
Bi1 I3 Cu1 I4 -108.85(5) . 2_556
Bi1 I3 Cu1 I5 9.12(3) . .
Bi1 I5 Cu1 N1 -121.3(2) . .
Bi1 I5 Cu1 N1 136.2(2) 2_556 .
Bi1 I5 Cu1 I4 115.35(4) . 2_556
Bi1 I5 Cu1 I4 12.79(3) 2_556 2_556
Bi1 I5 Cu1 I3 -8.67(3) . .
Bi1 I5 Cu1 I3 -111.23(4) 2_556 .
I4 Cu1 N1 C1 -131(9) 2_556 .
I3 Cu1 N1 C1 -4(9) . .
I5 Cu1 N1 C1 111(9) . .
Cu1 N1 C1 C2 -24(44) . .
C41 N11 C11 C12 52.1(9) . .
C31 N11 C11 C12 -67.7(8) . .
C21 N11 C11 C12 170.8(7) . .
N11 C11 C12 C13 155.8(7) . .
C11 C12 C13 C14 -73.1(12) . .
C41 N11 C21 C22 -176.5(7) . .
C31 N11 C21 C22 -58.4(9) . .
C11 N11 C21 C22 61.7(9) . .
N11 C21 C22 C23 178.7(8) . .
C21 C22 C23 C24 -175.8(9) . .
C41 N11 C31 C32 65.2(8) . .
C11 N11 C31 C32 -172.4(7) . .
C21 N11 C31 C32 -52.5(9) . .
N11 C31 C32 C33 -175.2(7) . .
C31 C32 C33 C34 179.8(9) . .
C31 N11 C41 C42 175.8(7) . .
C11 N11 C41 C42 55.5(9) . .
C21 N11 C41 C42 -64.0(8) . .
N11 C41 C42 C43 178.0(7) . .
C41 C42 C43 C44 175.7(9) . .
