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#$Date: 2021-04-02 12:29:18 +0300 (Fri, 02 Apr 2021) $
#$Revision: 263551 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/14/1561466.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_1561466
loop_
_publ_author_name
'Huang, Ya-Jing'
'Zheng, Yue-Qing'
'Zhu, Hong-Lin'
'Wang, Jin-Jian'
_publ_section_title
;
 Hydrothermal synthesis of Bismuth(III) coordination polymer and its
 transformation to nano α-Bi2O3 for photocatalytic degradation
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              274
_journal_page_last               281
_journal_paper_doi               10.1016/j.jssc.2016.05.006
_journal_volume                  239
_journal_year                    2016
_chemical_formula_moiety         'C28 H14 Bi2 N4 O16,2(H2O)'
_chemical_formula_sum            'C28 H18 Bi2 N4 O18'
_chemical_formula_weight         1116.43
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 104.33(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.439(3)
_cell_length_b                   11.841(2)
_cell_length_c                   21.484(4)
_cell_measurement_reflns_used    29155
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.470
_cell_measurement_theta_min      3.07
_cell_volume                     3065.9(11)
_computing_cell_refinement       rapid-auto
_computing_data_collection       rapid-auto(rigaku,1998)
_computing_data_reduction        crystalstructure(rigaku/msc,2004)
_computing_molecular_graphics    ortepll(Johnson,1976)
_computing_publication_material  shelxl-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'rigaku r-axis rapid'
_diffrn_measurement_method       'ω scan'
_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  0.0723
_diffrn_reflns_av_sigmaI/netI    0.0587
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            29155
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.36
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count image
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.559
_exptl_absorpt_correction_T_max  0.024
_exptl_absorpt_correction_T_min  0.011
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ABSCOR(Higashi,1995)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.435
_exptl_crystal_size_mid          0.352
_exptl_crystal_size_min          0.324
_refine_diff_density_max         2.096
_refine_diff_density_min         -2.688
_refine_diff_density_rms         0.252
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6945
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0403
_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)+(0.0184P)²+35.5788P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0845
_refine_ls_wR_factor_ref         0.1064
_reflns_number_gt                5858
_reflns_number_total             7023
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2016-239-274.CIF
_cod_data_source_block           shx97
_cod_original_sg_symbol_Hall     '-p 2ybc'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1561466
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 -0.21065(2) 0.72176(3) 0.087944(15) 0.02754(10) Uani 1 1 d . . .
Bi2 Bi 0.02296(2) 0.56556(3) 0.248988(15) 0.02879(10) Uani 1 1 d . . .
O1 O -0.0073(5) 0.6650(6) 0.1425(3) 0.0386(16) Uani 1 1 d . . .
O2 O 0.1577(6) 0.6191(10) 0.1272(4) 0.078(3) Uani 1 1 d . . .
C1 C 0.0613(7) 0.6463(9) 0.1079(4) 0.039(2) Uani 1 1 d . . .
C2 C 0.0141(7) 0.6570(8) 0.0357(4) 0.0296(18) Uani 1 1 d . . .
C3 C 0.0780(7) 0.6399(9) -0.0071(4) 0.038(2) Uani 1 1 d . . .
H3A H 0.1532 0.6238 0.0074 0.046 Uiso 1 1 calc R . .
C4 C 0.0284(8) 0.6472(9) -0.0725(5) 0.043(2) Uani 1 1 d . . .
H4A H 0.0702 0.6358 -0.1023 0.052 Uiso 1 1 calc R . .
C5 C -0.0839(8) 0.6716(9) -0.0929(4) 0.040(2) Uani 1 1 d . . .
H5A H -0.1189 0.6777 -0.1363 0.048 Uiso 1 1 calc R . .
C6 C -0.1423(7) 0.6866(7) -0.0461(4) 0.0278(18) Uani 1 1 d . . .
C7 C -0.2660(7) 0.7114(8) -0.0633(4) 0.0308(19) Uani 1 1 d . . .
O3 O -0.3082(5) 0.7363(6) -0.0153(3) 0.0331(14) Uani 1 1 d . . .
O4 O -0.3186(5) 0.7068(7) -0.1194(3) 0.0482(18) Uani 1 1 d . . .
N1 N -0.0938(5) 0.6797(6) 0.0164(3) 0.0284(15) Uani 1 1 d . . .
O5 O -0.3659(5) 0.8783(6) 0.0902(4) 0.0473(18) Uani 1 1 d . . .
O6 O -0.5399(5) 0.9094(7) 0.0943(4) 0.059(2) Uani 1 1 d . . .
H6A H -0.5254 0.9746 0.0863 0.088 Uiso 1 1 calc R . .
C8 C -0.4574(7) 0.8442(9) 0.0918(4) 0.036(2) Uani 1 1 d . . .
C9 C -0.4830(7) 0.7209(8) 0.0930(5) 0.035(2) Uani 1 1 d . . .
C10 C -0.5811(7) 0.6770(10) 0.0994(5) 0.048(3) Uani 1 1 d . . .
H10A H -0.6384 0.7247 0.1035 0.058 Uiso 1 1 calc R . .
C11 C -0.5948(8) 0.5607(10) 0.0997(6) 0.053(3) Uani 1 1 d . . .
H11A H -0.6601 0.5293 0.1055 0.063 Uiso 1 1 calc R . .
C12 C -0.5092(8) 0.4923(10) 0.0911(5) 0.049(3) Uani 1 1 d . . .
H12A H -0.5177 0.4143 0.0887 0.059 Uiso 1 1 calc R . .
C13 C -0.4108(7) 0.5418(8) 0.0863(4) 0.037(2) Uani 1 1 d . . .
C14 C -0.3112(8) 0.4767(8) 0.0773(5) 0.036(2) Uani 1 1 d . . .
O7 O -0.2260(5) 0.5353(5) 0.0730(3) 0.0381(15) Uani 1 1 d . . .
O8 O -0.3170(7) 0.3737(6) 0.0732(4) 0.060(2) Uani 1 1 d . . .
N2 N -0.3988(6) 0.6552(6) 0.0872(4) 0.0310(16) Uani 1 1 d . . .
O9 O -0.1681(5) 0.6464(5) 0.2128(3) 0.0331(14) Uani 1 1 d . . .
O10 O -0.3336(4) 0.6709(6) 0.2338(3) 0.0365(15) Uani 1 1 d . . .
C15 C -0.2356(7) 0.6348(8) 0.2475(4) 0.033(2) Uani 1 1 d . . .
C16 C -0.1960(7) 0.5776(8) 0.3115(4) 0.0309(19) Uani 1 1 d . . .
C17 C -0.2642(7) 0.5518(9) 0.3514(5) 0.042(2) Uani 1 1 d . . .
H17A H -0.3389 0.5712 0.3397 0.050 Uiso 1 1 calc R . .
C18 C -0.2203(8) 0.4963(11) 0.4093(5) 0.051(3) Uani 1 1 d . . .
H18A H -0.2646 0.4794 0.4372 0.061 Uiso 1 1 calc R . .
C19 C -0.1093(8) 0.4671(9) 0.4241(5) 0.040(2) Uani 1 1 d . . .
H19A H -0.0781 0.4281 0.4619 0.048 Uiso 1 1 calc R . .
C20 C -0.0447(7) 0.4964(8) 0.3823(4) 0.0309(18) Uani 1 1 d . . .
C21 C 0.0747(7) 0.4639(8) 0.3932(4) 0.033(2) Uani 1 1 d . . .
O11 O 0.1241(5) 0.4977(7) 0.3515(3) 0.0510(19) Uani 1 1 d . . .
O12 O 0.1183(5) 0.4076(6) 0.4415(3) 0.0402(15) Uani 1 1 d . . .
N3 N -0.0876(6) 0.5499(6) 0.3272(3) 0.0299(16) Uani 1 1 d . . .
O13 O 0.0413(5) 0.7431(6) 0.2850(3) 0.0406(16) Uani 1 1 d . . .
O14 O 0.1270(6) 0.9063(6) 0.2871(4) 0.0515(19) Uani 1 1 d . . .
C22 C 0.1259(7) 0.8040(8) 0.2833(4) 0.0322(19) Uani 1 1 d . . .
C23 C 0.2282(7) 0.7437(7) 0.2755(4) 0.0311(19) Uani 1 1 d . . .
C24 C 0.3284(8) 0.7989(9) 0.2804(6) 0.047(3) Uani 1 1 d . . .
H24A H 0.3337 0.8767 0.2863 0.057 Uiso 1 1 calc R . .
C25 C 0.4208(8) 0.7360(10) 0.2762(6) 0.054(3) Uani 1 1 d . . .
H25A H 0.4890 0.7706 0.2794 0.064 Uiso 1 1 calc R . .
C26 C 0.4083(7) 0.6208(9) 0.2672(5) 0.043(2) Uani 1 1 d . . .
H26A H 0.4686 0.5768 0.2640 0.052 Uiso 1 1 calc R . .
C27 C 0.3074(7) 0.5714(8) 0.2632(5) 0.037(2) Uani 1 1 d . . .
C28 C 0.2829(7) 0.4482(9) 0.2526(5) 0.040(2) Uani 1 1 d . . .
O15 O 0.1885(5) 0.4110(6) 0.2402(4) 0.0459(17) Uani 1 1 d . . .
O16 O 0.3731(5) 0.3871(7) 0.2598(4) 0.058(2) Uani 1 1 d . . .
H16A H 0.3573 0.3201 0.2612 0.087 Uiso 1 1 calc R . .
N4 N 0.2181(5) 0.6339(7) 0.2677(3) 0.0300(16) Uani 1 1 d . . .
O17 O -0.5072(7) 1.1128(8) 0.0719(5) 0.077(3) Uani 1 1 d . . .
H171 H -0.5601 1.1558 0.0554 0.115 Uiso 1 1 d R . .
H172 H -0.4434 1.1408 0.0758 0.115 Uiso 1 1 d R . .
O18 O -0.3008(8) 0.1416(8) 0.0531(5) 0.085(3) Uani 1 1 d . . .
H181 H -0.2738 0.0917 0.0798 0.128 Uiso 1 1 d R . .
H182 H -0.2643 0.2001 0.0685 0.128 Uiso 1 1 d 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'
O O 0.0106 0.0060 '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
O7 Bi1 O3 85.9(2) . .
O7 Bi1 N1 75.4(2) . .
O3 Bi1 N1 69.6(2) . .
O7 Bi1 N2 68.6(2) . .
O3 Bi1 N2 74.9(2) . .
N1 Bi1 N2 130.5(2) . .
O7 Bi1 O1 81.3(2) . .
O3 Bi1 O1 133.61(19) . .
N1 Bi1 O1 64.0(2) . .
N2 Bi1 O1 137.4(2) . .
O7 Bi1 O12 145.0(2) . 2
O3 Bi1 O12 82.0(2) . 2
N1 Bi1 O12 69.6(2) . 2
N2 Bi1 O12 137.4(2) . 2
O1 Bi1 O12 83.7(2) . 2
O7 Bi1 O5 130.5(2) . .
O3 Bi1 O5 75.6(2) . .
N1 Bi1 O5 134.6(2) . .
N2 Bi1 O5 62.3(2) . .
O1 Bi1 O5 142.6(2) . .
O12 Bi1 O5 77.6(2) 2 .
O7 Bi1 O9 79.0(2) . .
O3 Bi1 O9 155.5(2) . .
N1 Bi1 O9 123.6(2) . .
N2 Bi1 O9 81.7(2) . .
O1 Bi1 O9 62.97(17) . .
O12 Bi1 O9 121.03(19) 2 .
O5 Bi1 O9 99.9(2) . .
O13 Bi2 O11 90.7(3) . .
O13 Bi2 N3 81.9(2) . .
O11 Bi2 N3 66.1(2) . .
O13 Bi2 N4 68.1(2) . .
O11 Bi2 N4 72.0(2) . .
N3 Bi2 N4 127.5(2) . .
O13 Bi2 O9 75.8(2) . .
O11 Bi2 O9 131.2(2) . .
N3 Bi2 O9 65.6(2) . .
N4 Bi2 O9 137.5(2) . .
O13 Bi2 O1 81.6(2) . .
O11 Bi2 O1 157.1(2) . .
N3 Bi2 O1 133.0(2) . .
N4 Bi2 O1 85.1(2) . .
O9 Bi2 O1 67.76(19) . .
O13 Bi2 O14 141.4(2) . 2_545
O11 Bi2 O14 101.8(3) . 2_545
N3 Bi2 O14 70.6(2) . 2_545
N4 Bi2 O14 150.5(2) . 2_545
O9 Bi2 O14 68.5(2) . 2_545
O1 Bi2 O14 97.6(2) . 2_545
C1 O1 Bi2 118.3(6) . .
C1 O1 Bi1 119.7(5) . .
Bi2 O1 Bi1 116.2(2) . .
O2 C1 O1 126.2(9) . .
O2 C1 C2 118.2(8) . .
O1 C1 C2 115.6(7) . .
N1 C2 C3 121.9(8) . .
N1 C2 C1 116.1(7) . .
C3 C2 C1 122.0(8) . .
C2 C3 C4 118.9(8) . .
C2 C3 H3A 120.6 . .
C4 C3 H3A 120.6 . .
C5 C4 C3 119.4(9) . .
C5 C4 H4A 120.3 . .
C3 C4 H4A 120.3 . .
C4 C5 C6 117.7(8) . .
C4 C5 H5A 121.1 . .
C6 C5 H5A 121.1 . .
N1 C6 C5 122.3(8) . .
N1 C6 C7 115.8(7) . .
C5 C6 C7 121.9(7) . .
O4 C7 O3 124.7(8) . .
O4 C7 C6 119.5(8) . .
O3 C7 C6 115.8(7) . .
C7 O3 Bi1 122.5(5) . .
C2 N1 C6 119.8(7) . .
C2 N1 Bi1 124.3(6) . .
C6 N1 Bi1 115.8(5) . .
C8 O5 Bi1 117.0(6) . .
C8 O6 H6A 109.5 . .
O5 C8 O6 124.1(10) . .
O5 C8 C9 121.9(8) . .
O6 C8 C9 114.0(8) . .
N2 C9 C10 122.0(9) . .
N2 C9 C8 113.1(8) . .
C10 C9 C8 124.9(9) . .
C9 C10 C11 119.4(9) . .
C9 C10 H10A 120.3 . .
C11 C10 H10A 120.3 . .
C12 C11 C10 118.7(9) . .
C12 C11 H11A 120.6 . .
C10 C11 H11A 120.6 . .
C13 C12 C11 119.0(10) . .
C13 C12 H12A 120.5 . .
C11 C12 H12A 120.5 . .
N2 C13 C12 121.1(9) . .
N2 C13 C14 114.6(8) . .
C12 C13 C14 124.2(9) . .
O8 C14 O7 124.5(9) . .
O8 C14 C13 118.8(9) . .
O7 C14 C13 116.7(8) . .
C14 O7 Bi1 124.4(5) . .
C9 N2 C13 119.6(8) . .
C9 N2 Bi1 125.3(6) . .
C13 N2 Bi1 114.8(5) . .
C15 O9 Bi2 119.7(6) . .
C15 O9 Bi1 128.0(5) . .
Bi2 O9 Bi1 111.5(2) . .
O10 C15 O9 125.1(9) . .
O10 C15 C16 116.6(8) . .
O9 C15 C16 118.3(7) . .
N3 C16 C17 121.4(8) . .
N3 C16 C15 114.9(8) . .
C17 C16 C15 123.7(8) . .
C16 C17 C18 119.6(8) . .
C16 C17 H17A 120.2 . .
C18 C17 H17A 120.2 . .
C19 C18 C17 118.1(9) . .
C19 C18 H18A 120.9 . .
C17 C18 H18A 120.9 . .
C18 C19 C20 119.6(9) . .
C18 C19 H19A 120.2 . .
C20 C19 H19A 120.2 . .
N3 C20 C19 121.6(8) . .
N3 C20 C21 115.1(7) . .
C19 C20 C21 123.1(8) . .
O12 C21 O11 124.8(8) . .
O12 C21 C20 118.8(8) . .
O11 C21 C20 116.4(8) . .
C21 O11 Bi2 121.3(5) . .
C21 O12 Bi1 112.1(6) . 2_545
C20 N3 C16 119.6(7) . .
C20 N3 Bi2 118.7(5) . .
C16 N3 Bi2 120.8(6) . .
C22 O13 Bi2 122.3(6) . .
C22 O14 Bi2 134.4(6) . 2
O14 C22 O13 123.7(9) . .
O14 C22 C23 119.1(8) . .
O13 C22 C23 117.2(8) . .
N4 C23 C24 122.1(9) . .
N4 C23 C22 115.4(8) . .
C24 C23 C22 122.4(8) . .
C23 C24 C25 118.9(10) . .
C23 C24 H24A 120.6 . .
C25 C24 H24A 120.6 . .
C26 C25 C24 118.2(9) . .
C26 C25 H25A 120.9 . .
C24 C25 H25A 120.9 . .
C27 C26 C25 120.0(9) . .
C27 C26 H26A 120.0 . .
C25 C26 H26A 120.0 . .
N4 C27 C26 121.1(9) . .
N4 C27 C28 113.7(8) . .
C26 C27 C28 125.1(8) . .
O15 C28 O16 125.1(10) . .
O15 C28 C27 122.3(8) . .
O16 C28 C27 112.6(8) . .
C28 O16 H16A 109.5 . .
C23 N4 C27 119.7(8) . .
C23 N4 Bi2 113.6(6) . .
C27 N4 Bi2 126.3(6) . .
H171 O17 H172 115.1 . .
H181 O18 H182 102.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 O7 2.233(7) .
Bi1 O3 2.257(6) .
Bi1 N1 2.414(7) .
Bi1 N2 2.466(7) .
Bi1 O1 2.599(6) .
Bi1 O12 2.630(7) 2
Bi1 O5 2.685(7) .
Bi1 O9 2.752(6) .
Bi2 O13 2.231(7) .
Bi2 O11 2.389(7) .
Bi2 N3 2.428(7) .
Bi2 N4 2.495(7) .
Bi2 O9 2.501(6) .
Bi2 O1 2.517(6) .
Bi2 O14 2.631(7) 2_545
O1 C1 1.283(10) .
O2 C1 1.211(11) .
C1 C2 1.522(12) .
C2 N1 1.331(10) .
C2 C3 1.371(12) .
C3 C4 1.391(13) .
C3 H3A 0.9300 .
C4 C5 1.388(13) .
C4 H4A 0.9300 .
C5 C6 1.389(12) .
C5 H5A 0.9300 .
C6 N1 1.332(10) .
C6 C7 1.519(11) .
C7 O4 1.223(10) .
C7 O3 1.300(11) .
O5 C8 1.216(11) .
O6 C8 1.297(11) .
O6 H6A 0.8200 .
C8 C9 1.497(14) .
C9 N2 1.335(11) .
C9 C10 1.364(13) .
C10 C11 1.388(16) .
C10 H10A 0.9300 .
C11 C12 1.385(15) .
C11 H11A 0.9300 .
C12 C13 1.383(12) .
C12 H12A 0.9300 .
C13 N2 1.351(12) .
C13 C14 1.512(12) .
C14 O8 1.223(11) .
C14 O7 1.289(11) .
O9 C15 1.260(11) .
O10 C15 1.256(10) .
C15 C16 1.503(13) .
C16 N3 1.347(10) .
C16 C17 1.381(13) .
C17 C18 1.393(14) .
C17 H17A 0.9300 .
C18 C19 1.382(13) .
C18 H18A 0.9300 .
C19 C20 1.390(12) .
C19 H19A 0.9300 .
C20 N3 1.333(11) .
C20 C21 1.494(11) .
C21 O12 1.240(10) .
C21 O11 1.269(11) .
O12 Bi1 2.630(7) 2_545
O13 C22 1.284(11) .
O14 C22 1.213(11) .
O14 Bi2 2.631(7) 2
C22 C23 1.504(12) .
C23 N4 1.312(11) .
C23 C24 1.389(12) .
C24 C25 1.390(15) .
C24 H24A 0.9300 .
C25 C26 1.381(15) .
C25 H25A 0.9300 .
C26 C27 1.368(12) .
C26 H26A 0.9300 .
C27 N4 1.358(11) .
C27 C28 1.496(14) .
C28 O15 1.220(11) .
C28 O16 1.312(11) .
O16 H16A 0.8200 .
O17 H171 0.8373 .
O17 H172 0.8454 .
O18 H181 0.8349 .
O18 H182 0.8493 .
