#------------------------------------------------------------------------------
#$Date: 2019-11-24 00:54:18 +0200 (Sun, 24 Nov 2019) $
#$Revision: 235859 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/98/4349817.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_4349817
loop_
_publ_author_name
'Wang, Dao-Hua'
'Zhao, Li-Ming'
'Lin, Xiao-Yan'
'Wang, Yu-Kang'
'Zhang, Wen-Ting'
'Song, Kai-Yue'
'Li, Hao-Hong'
'Chen, Zhi-Rong'
_publ_section_title
;
 Iodoargentate/iodobismuthate-based materials hybridized with
 lanthanide-containing metalloviologens: thermochromic behaviors and
 photocurrent responses
;
_journal_issue                   5
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              1162
_journal_paper_doi               10.1039/C7QI00755H
_journal_volume                  5
_journal_year                    2018
_chemical_formula_moiety         'C28 H50 Er N8 O8, Bi2 I9'
_chemical_formula_sum            'C28 H50 Bi2 Er I9 N8 O8'
_chemical_formula_weight         2354.08
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-12-15 deposited with the CCDC.
2018-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 93.060(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2935(14)
_cell_length_b                   31.479(3)
_cell_length_c                   13.6059(14)
_cell_measurement_reflns_used    5821
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.14
_cell_measurement_theta_min      1.63
_cell_volume                     5685.5(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean None
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0534
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18710
_diffrn_reflns_theta_full        25.14
_diffrn_reflns_theta_max         25.14
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_number         None
_exptl_absorpt_coefficient_mu    12.568
_exptl_absorpt_correction_T_max  25.14
_exptl_absorpt_correction_T_min  1.63
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.750
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4196
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.691
_refine_diff_density_min         -4.199
_refine_diff_density_rms         0.230
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         9875
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0588P)²+76.9314P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1238
_refine_ls_wR_factor_ref         0.1313
_reflns_number_gt                7890
_reflns_number_total             10164
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7qi00755h2.cif
_cod_data_source_block           p2(1)(n)
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'None' was changed
to 'none' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P
_cod_database_code               4349817
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.28469(4) 0.149784(15) 0.48782(3) 0.03092(13) Uani 1 1 d .
Bi2 Bi 0.00203(4) 0.126284(16) 0.59006(3) 0.03204(13) Uani 1 1 d .
Rr1 Er -0.32689(4) 0.09797(2) 0.05836(4) 0.03742(16) Uani 1 1 d .
I1 I 0.46108(8) 0.09139(3) 0.47440(7) 0.0486(2) Uani 1 1 d .
I2 I 0.12334(7) 0.07976(3) 0.41148(6) 0.0431(2) Uani 1 1 d .
I3 I -0.08283(8) 0.04714(3) 0.66622(7) 0.0458(2) Uani 1 1 d .
I4 I 0.22487(7) 0.11017(4) 0.69717(7) 0.0558(3) Uani 1 1 d .
I5 I 0.32036(8) 0.17950(3) 0.28706(7) 0.0519(3) Uani 1 1 d .
I6 I 0.09652(8) 0.20993(3) 0.49461(8) 0.0504(3) Uani 1 1 d .
I7 I -0.18304(8) 0.14154(4) 0.46851(8) 0.0609(3) Uani 1 1 d .
I8 I -0.04713(9) 0.17694(4) 0.76087(8) 0.0626(3) Uani 1 1 d .
I9 I 0.40006(9) 0.21894(4) 0.58683(10) 0.0752(4) Uani 1 1 d .
O1 O -0.4687(6) 0.0570(3) 0.1231(6) 0.036(2) Uani 1 1 d .
O2 O -0.4810(8) 0.1381(3) 0.0067(7) 0.051(3) Uani 1 1 d .
O3 O -0.3633(8) 0.1436(4) 0.1922(8) 0.057(3) Uani 1 1 d .
O4 O -0.1691(8) 0.1351(4) 0.1066(8) 0.057(3) Uani 1 1 d .
O5 O -0.2633(7) 0.0543(3) 0.1967(7) 0.043(2) Uani 1 1 d .
O6 O -0.1913(6) 0.0548(3) -0.0094(6) 0.036(2) Uani 1 1 d .
O7 O -0.2893(10) 0.1412(5) 0.9211(10) 0.080(4) Uani 1 1 d .
O8 O 0.6057(6) 0.0545(3) 0.9219(6) 0.036(2) Uani 1 1 d .
N1 N -0.5667(7) 0.0589(3) 0.1017(7) 0.031(2) Uani 1 1 d .
N2 N -0.5977(10) 0.1891(4) -0.0167(9) 0.050(3) Uani 1 1 d .
N3 N -0.3664(9) 0.1989(4) 0.2965(8) 0.040(3) Uani 1 1 d .
N4 N -0.0159(12) 0.1654(4) 0.1205(15) 0.078(5) Uani 1 1 d .
N5 N -0.2543(8) 0.0278(3) 0.3511(7) 0.030(2) Uani 1 1 d .
N6 N -1.0904(7) 0.0560(3) 0.0089(7) 0.031(2) Uani 1 1 d .
N7 N -0.3273(10) 0.1776(4) 0.7815(9) 0.047(3) Uani 1 1 d .
N8 N 0.5817(8) 0.0349(3) 0.7631(6) 0.031(2) Uani 1 1 d .
C1 C -0.6065(10) 0.0466(5) 0.0142(9) 0.042(3) Uani 1 1 d .
H1 H -0.5635 0.0379 -0.0337 0.051 Uiso 1 1 calc R
C2 C -0.7072(9) 0.0461(5) -0.0076(9) 0.039(3) Uani 1 1 d .
H2 H -0.7322 0.0369 -0.0691 0.047 Uiso 1 1 calc R
C3 C -0.7738(8) 0.0597(4) 0.0628(8) 0.024(2) Uani 1 1 d .
C4 C -0.8836(8) 0.0586(4) 0.0423(8) 0.025(2) Uani 1 1 d .
C5 C -0.9298(10) 0.0690(5) -0.0474(9) 0.037(3) Uani 1 1 d .
H5 H -0.8902 0.0762 -0.0991 0.044 Uiso 1 1 calc R
C6 C -1.0332(9) 0.0690(5) -0.0627(9) 0.035(3) Uani 1 1 d .
H6 H -1.0628 0.0781 -0.1225 0.042 Uiso 1 1 calc R
C7 C -1.0491(10) 0.0453(5) 0.0975(9) 0.039(3) Uani 1 1 d .
H7 H -1.0903 0.0366 0.1469 0.046 Uiso 1 1 calc R
C8 C -0.9473(9) 0.0469(5) 0.1158(9) 0.040(3) Uani 1 1 d .
H8 H -0.9200 0.0401 0.1781 0.048 Uiso 1 1 calc R
C9 C -0.7311(9) 0.0726(4) 0.1506(9) 0.034(3) Uani 1 1 d .
H9 H -0.7726 0.0818 0.1992 0.041 Uiso 1 1 calc R
C10 C -0.6274(9) 0.0727(4) 0.1700(9) 0.033(3) Uani 1 1 d .
H10 H -0.6003 0.0823 0.2304 0.040 Uiso 1 1 calc R
C11 C -0.5258(12) 0.1691(5) 0.0338(11) 0.053(4) Uani 1 1 d .
H11 H -0.5073 0.1797 0.0961 0.063 Uiso 1 1 calc R
C12 C -0.626(4) 0.1760(12) -0.108(3) 0.26(3) Uani 1 1 d .
H12A H -0.5680 0.1646 -0.1391 0.388 Uiso 1 1 calc R
H12B H -0.6521 0.1996 -0.1462 0.388 Uiso 1 1 calc R
H12C H -0.6762 0.1544 -0.1051 0.388 Uiso 1 1 calc R
C13 C -0.6501(14) 0.2257(6) 0.0195(14) 0.069(5) Uani 1 1 d .
H13A H -0.7192 0.2185 0.0281 0.104 Uiso 1 1 calc R
H13B H -0.6470 0.2485 -0.0271 0.104 Uiso 1 1 calc R
H13C H -0.6188 0.2345 0.0814 0.104 Uiso 1 1 calc R
C14 C -0.3873(10) 0.1597(5) 0.2683(11) 0.045(3) Uani 1 1 d .
H14 H -0.4236 0.1430 0.3103 0.054 Uiso 1 1 calc R
C15 C -0.4001(14) 0.2164(6) 0.3872(11) 0.062(5) Uani 1 1 d .
H15A H -0.4545 0.1995 0.4096 0.093 Uiso 1 1 calc R
H15B H -0.4229 0.2450 0.3761 0.093 Uiso 1 1 calc R
H15C H -0.3454 0.2163 0.4362 0.093 Uiso 1 1 calc R
C16 C -0.307(2) 0.2253(6) 0.2358(16) 0.096(8) Uani 1 1 d .
H16A H -0.2395 0.2141 0.2353 0.144 Uiso 1 1 calc R
H16B H -0.3044 0.2536 0.2617 0.144 Uiso 1 1 calc R
H16C H -0.3361 0.2257 0.1698 0.144 Uiso 1 1 calc R
C17 C -0.1023(17) 0.1527(7) 0.0721(14) 0.074(6) Uani 1 1 d .
H17 H -0.1090 0.1585 0.0050 0.089 Uiso 1 1 calc R
C18 C 0.0653(18) 0.1820(8) 0.0648(17) 0.091(7) Uani 1 1 d .
H18A H 0.1196 0.1619 0.0660 0.137 Uiso 1 1 calc R
H18B H 0.0888 0.2083 0.0936 0.137 Uiso 1 1 calc R
H18C H 0.0412 0.1869 -0.0020 0.137 Uiso 1 1 calc R
C19 C -0.007(2) 0.1670(11) 0.223(2) 0.129(11) Uani 1 1 d .
H19A H -0.0030 0.1961 0.2436 0.193 Uiso 1 1 calc R
H19B H 0.0524 0.1521 0.2458 0.193 Uiso 1 1 calc R
H19C H -0.0653 0.1540 0.2490 0.193 Uiso 1 1 calc R
C20 C -0.2998(10) 0.0466(4) 0.2784(9) 0.035(3) Uani 1 1 d .
H20 H -0.3656 0.0555 0.2864 0.042 Uiso 1 1 calc R
C21 C -0.1446(12) 0.0169(8) 0.3484(13) 0.080(7) Uani 1 1 d .
H21A H -0.1338 0.0001 0.2910 0.120 Uiso 1 1 calc R
H21B H -0.1240 0.0011 0.4063 0.120 Uiso 1 1 calc R
H21C H -0.1057 0.0426 0.3462 0.120 Uiso 1 1 calc R
C22 C -0.3005(11) 0.0188(6) 0.4428(10) 0.053(4) Uani 1 1 d .
H22A H -0.3699 0.0274 0.4378 0.079 Uiso 1 1 calc R
H22B H -0.2658 0.0341 0.4953 0.079 Uiso 1 1 calc R
H22C H -0.2966 -0.0111 0.4560 0.079 Uiso 1 1 calc R
C23 C -0.2972(13) 0.1746(7) 0.8717(13) 0.067(5) Uani 1 1 d .
H23 H -0.2794 0.1998 0.9040 0.080 Uiso 1 1 calc R
C24 C -0.353(2) 0.1394(7) 0.7235(17) 0.104(8) Uani 1 1 d .
H24A H -0.3228 0.1150 0.7550 0.156 Uiso 1 1 calc R
H24B H -0.3293 0.1424 0.6586 0.156 Uiso 1 1 calc R
H24C H -0.4253 0.1359 0.7191 0.156 Uiso 1 1 calc R
C25 C -0.3244(18) 0.2172(7) 0.7272(17) 0.096(7) Uani 1 1 d .
H25A H -0.3524 0.2396 0.7652 0.143 Uiso 1 1 calc R
H25B H -0.3630 0.2143 0.6659 0.143 Uiso 1 1 calc R
H25C H -0.2559 0.2240 0.7145 0.143 Uiso 1 1 calc R
C26 C 0.6371(10) 0.0407(4) 0.8420(8) 0.031(3) Uani 1 1 d .
H26 H 0.7053 0.0342 0.8402 0.037 Uiso 1 1 calc R
C27 C 0.4769(10) 0.0456(6) 0.7564(10) 0.054(4) Uani 1 1 d .
H27A H 0.4374 0.0201 0.7547 0.081 Uiso 1 1 calc R
H27B H 0.4621 0.0617 0.6975 0.081 Uiso 1 1 calc R
H27C H 0.4610 0.0623 0.8127 0.081 Uiso 1 1 calc R
C28 C 0.6236(14) 0.0194(6) 0.6732(11) 0.068(5) Uani 1 1 d .
H28A H 0.6956 0.0175 0.6826 0.103 Uiso 1 1 calc R
H28B H 0.6066 0.0387 0.6203 0.103 Uiso 1 1 calc R
H28C H 0.5964 -0.0081 0.6574 0.103 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'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
I9 Bi1 I5 94.80(4) . .
I9 Bi1 I1 95.24(4) . .
I5 Bi1 I1 88.46(3) . .
I9 Bi1 I6 86.39(4) . .
I5 Bi1 I6 90.21(3) . .
I1 Bi1 I6 177.97(3) . .
I9 Bi1 I2 167.89(3) . .
I5 Bi1 I2 93.20(3) . .
I1 Bi1 I2 94.06(3) . .
I6 Bi1 I2 84.49(3) . .
I9 Bi1 I4 91.64(4) . .
I5 Bi1 I4 173.34(3) . .
I1 Bi1 I4 92.69(3) . .
I6 Bi1 I4 88.46(3) . .
I2 Bi1 I4 80.18(3) . .
I8 Bi2 I7 98.21(4) . .
I8 Bi2 I3 94.34(3) . .
I7 Bi2 I3 90.65(3) . .
I8 Bi2 I6 89.03(3) . .
I7 Bi2 I6 88.40(3) . .
I3 Bi2 I6 176.59(3) . .
I8 Bi2 I4 88.05(4) . .
I7 Bi2 I4 172.01(3) . .
I3 Bi2 I4 93.83(3) . .
I6 Bi2 I4 86.73(3) . .
I8 Bi2 I2 163.56(3) . .
I7 Bi2 I2 94.88(3) . .
I3 Bi2 I2 95.41(3) . .
I6 Bi2 I2 81.41(3) . .
I4 Bi2 I2 78.13(3) . .
O7 Rr1 O3 108.3(5) 1_554 .
O7 Rr1 O8 78.9(4) 1_554 1_454
O3 Rr1 O8 146.8(3) . 1_454
O7 Rr1 O5 147.7(4) 1_554 .
O3 Rr1 O5 80.0(4) . .
O8 Rr1 O5 111.6(3) 1_454 .
O7 Rr1 O4 74.2(4) 1_554 .
O3 Rr1 O4 73.4(4) . .
O8 Rr1 O4 138.0(3) 1_454 .
O5 Rr1 O4 78.9(3) . .
O7 Rr1 O6 80.4(4) 1_554 .
O3 Rr1 O6 142.7(3) . .
O8 Rr1 O6 69.7(3) 1_454 .
O5 Rr1 O6 75.5(3) . .
O4 Rr1 O6 74.5(3) . .
O7 Rr1 O2 72.0(4) 1_554 .
O3 Rr1 O2 73.3(4) . .
O8 Rr1 O2 78.8(3) 1_454 .
O5 Rr1 O2 138.8(3) . .
O4 Rr1 O2 121.0(4) . .
O6 Rr1 O2 141.5(3) . .
O7 Rr1 O1 140.2(4) 1_554 .
O3 Rr1 O1 81.6(4) . .
O8 Rr1 O1 74.0(3) 1_454 .
O5 Rr1 O1 70.9(3) . .
O4 Rr1 O1 143.6(3) . .
O6 Rr1 O1 115.4(3) . .
O2 Rr1 O1 74.5(3) . .
Bi1 I2 Bi2 78.64(2) . .
Bi1 I4 Bi2 78.93(2) . .
Bi1 I6 Bi2 81.22(3) . .
N1 O1 Rr1 131.1(7) . .
C11 O2 Rr1 137.4(11) . .
C14 O3 Rr1 167.7(11) . .
C17 O4 Rr1 140.7(12) . .
C20 O5 Rr1 130.8(8) . .
N6 O6 Rr1 130.7(7) 1_655 .
C23 O7 Rr1 152.4(14) . 1_556
C26 O8 Rr1 136.4(8) . 1_656
O1 N1 C10 119.1(10) . .
O1 N1 C1 121.5(10) . .
C10 N1 C1 119.3(11) . .
C11 N2 C12 119.6(17) . .
C11 N2 C13 123.8(14) . .
C12 N2 C13 116.5(18) . .
C14 N3 C16 119.2(14) . .
C14 N3 C15 122.4(13) . .
C16 N3 C15 118.4(14) . .
C17 N4 C19 121(2) . .
C17 N4 C18 119(2) . .
C19 N4 C18 119.0(18) . .
C20 N5 C22 123.6(11) . .
C20 N5 C21 120.5(11) . .
C22 N5 C21 115.7(11) . .
C6 N6 C7 120.9(11) . .
C6 N6 O6 118.2(10) . 1_455
C7 N6 O6 120.9(10) . 1_455
C23 N7 C25 122.6(16) . .
C23 N7 C24 120.6(16) . .
C25 N7 C24 116.2(16) . .
C26 N8 C27 122.2(11) . .
C26 N8 C28 121.5(12) . .
C27 N8 C28 116.2(11) . .
N1 C1 C2 122.5(12) . .
C1 C2 C3 119.9(12) . .
C9 C3 C2 116.2(11) . .
C9 C3 C4 122.5(10) . .
C2 C3 C4 121.2(10) . .
C5 C4 C8 116.1(11) . .
C5 C4 C3 123.6(10) . .
C8 C4 C3 120.3(10) . .
C4 C5 C6 121.9(11) . .
N6 C6 C5 119.5(11) . .
N6 C7 C8 120.6(11) . .
C7 C8 C4 120.9(11) . .
C3 C9 C10 122.1(11) . .
N1 C10 C9 119.8(11) . .
O2 C11 N2 125.8(15) . .
O3 C14 N3 125.5(15) . .
O4 C17 N4 126(2) . .
O5 C20 N5 125.7(12) . .
O7 C23 N7 126.4(19) . .
O8 C26 N8 124.6(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 I9 2.9470(12) .
Bi1 I5 2.9495(10) .
Bi1 I1 2.9926(11) .
Bi1 I6 3.1426(11) .
Bi1 I2 3.2094(10) .
Bi1 I4 3.2470(11) .
Bi2 I8 2.9210(11) .
Bi2 I7 2.9298(11) .
Bi2 I3 2.9457(11) .
Bi2 I6 3.2207(11) .
Bi2 I4 3.2705(11) .
Bi2 I2 3.3268(10) .
Rr1 O7 2.384(11) 1_554
Rr1 O3 2.389(9) .
Rr1 O8 2.439(8) 1_454
Rr1 O5 2.445(9) .
Rr1 O4 2.460(10) .
Rr1 O6 2.474(8) .
Rr1 O2 2.476(10) .
Rr1 O1 2.484(8) .
O1 N1 1.320(13) .
O2 C11 1.213(18) .
O3 C14 1.211(17) .
O4 C17 1.17(2) .
O5 C20 1.259(14) .
O6 N6 1.352(12) 1_655
O7 C23 1.25(2) .
O7 Rr1 2.384(11) 1_556
O8 C26 1.262(14) .
O8 Rr1 2.439(8) 1_656
N1 C10 1.335(16) .
N1 C1 1.335(16) .
N2 C11 1.309(19) .
N2 C12 1.35(3) .
N2 C13 1.445(19) .
N3 C14 1.316(18) .
N3 C16 1.44(2) .
N3 C15 1.445(18) .
N4 C17 1.35(2) .
N4 C19 1.39(3) .
N4 C18 1.45(3) .
N5 C20 1.277(16) .
N5 C22 1.449(16) .
N5 C21 1.501(18) .
N6 C6 1.331(15) .
N6 C7 1.340(16) .
N6 O6 1.352(12) 1_455
N7 C23 1.27(2) .
N7 C25 1.45(2) .
N7 C24 1.47(2) .
N8 C26 1.282(15) .
N8 C27 1.432(17) .
N8 C28 1.455(18) .
C1 C2 1.355(18) .
C2 C3 1.405(16) .
C3 C9 1.357(17) .
C3 C4 1.472(15) .
C4 C5 1.376(16) .
C4 C8 1.393(16) .
C5 C6 1.379(18) .
C7 C8 1.364(18) .
C9 C10 1.390(17) .
