#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:49:38 +0300 (Wed, 05 May 2021) $
#$Revision: 264913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/25/7242527.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_7242527
loop_
_publ_author_name
'Levent, Emre'
'Sala, Oliver'
'Wilm, Lukas F. B.'
'Löwe, Pawel'
'Dielmann, Fabian'
_publ_section_title
;
 Heterobimetallic complexes composed of bismuth and lithium carboxylates
 as polyurethane catalysts -- alternatives to organotin compounds
;
_journal_issue                   7
_journal_name_full               'Green Chemistry'
_journal_page_first              2747
_journal_page_last               2755
_journal_paper_doi               10.1039/D1GC00446H
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C54 H96 Bi2 Li4 N2 O20'
_chemical_formula_sum            'C54 H96 Bi2 Li4 N2 O20'
_chemical_formula_weight         1539.04
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2017-08-17
_audit_creation_method
;
Olex2 1.2
(compiled 2013.11.15 svn.r2834 for OlexSys, GUI svn.r4720)
;
_audit_update_record
;
2021-01-20 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.0534(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.3571(3)
_cell_length_b                   14.0806(3)
_cell_length_c                   18.5930(3)
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.596
_cell_measurement_theta_min      2.312
_cell_volume                     3483.30(12)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            53862
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.606
_diffrn_reflns_theta_min         1.817
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.109
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.4248
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
? was used for absorption correction.
wR2(int) was 0.1197 before and 0.0592 after correction.
The Ratio of minimum to maximum transmission is 0.5695.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_description       block
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.53
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.013
_refine_diff_density_min         -2.429
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         9790
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0268
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0199P)²+2.7154P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0548
_refine_ls_wR_factor_ref         0.0562
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8863
_reflns_number_total             9790
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1gc00446h2.cif
_cod_data_source_block           p21n
_cod_depositor_comments
'Adding full bibliography for 7242526--7242531.cif.'
_cod_database_code               7242527
_shelxl_version_number           2013-4
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C8(H8A,H8B,H8C), C9(H9A,
 H9B,H9C), C10(H10A,H10B,H10C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C),
 C15(H15A,H15B,H15C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,
 H27B,H27C)
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.53252(2) 0.33885(2) 0.62417(2) 0.01042(3) Uani 1 1 d . . . . .
O1 O 0.58707(12) 0.19019(12) 0.64391(9) 0.0182(3) Uani 1 1 d . . . . .
O2 O 0.64481(14) 0.24912(13) 0.54632(9) 0.0217(4) Uani 1 1 d . . . . .
O3 O 0.47686(11) 0.37983(11) 0.48523(8) 0.0135(3) Uani 1 1 d . . . . .
O4 O 0.59178(12) 0.43562(11) 0.41799(8) 0.0159(3) Uani 1 1 d . . . . .
O5 O 0.33803(11) 0.52602(12) 0.41580(8) 0.0158(3) Uani 1 1 d . . . . .
O6 O 0.30214(12) 0.62817(13) 0.32765(8) 0.0175(3) Uani 1 1 d . . . . .
O7 O 0.48860(13) 0.68934(13) 0.25661(8) 0.0193(3) Uani 1 1 d . . . . .
O8 O 0.58079(14) 0.56199(12) 0.28224(9) 0.0213(4) Uani 1 1 d . . . . .
O9 O 0.62458(12) 0.74658(12) 0.39118(9) 0.0172(3) Uani 1 1 d . . . . .
O10 O 0.69335(12) 0.60777(11) 0.42437(8) 0.0149(3) Uani 1 1 d . . . . .
N1 N 0.79697(17) 0.45967(16) 0.31098(12) 0.0260(5) Uani 1 1 d . . . . .
C1 C 0.64275(17) 0.18320(17) 0.59109(12) 0.0153(4) Uani 1 1 d . . . . .
C2 C 0.70242(18) 0.09258(18) 0.58366(13) 0.0197(5) Uani 1 1 d . . . . .
C3 C 0.6379(3) 0.0308(2) 0.53009(18) 0.0392(7) Uani 1 1 d . . . . .
H3A H 0.6264 0.0643 0.4839 0.059 Uiso 1 1 calc GR . . . .
H3B H 0.5732 0.0178 0.5493 0.059 Uiso 1 1 calc GR . . . .
H3C H 0.6727 -0.0292 0.5228 0.059 Uiso 1 1 calc GR . . . .
C4 C 0.7207(2) 0.0413(2) 0.65562(15) 0.0345(7) Uani 1 1 d . . . . .
H4A H 0.7586 -0.0171 0.6490 0.052 Uiso 1 1 calc GR . . . .
H4B H 0.6561 0.0255 0.6738 0.052 Uiso 1 1 calc GR . . . .
H4C H 0.7592 0.0826 0.6904 0.052 Uiso 1 1 calc GR . . . .
C5 C 0.8021(2) 0.1172(2) 0.55343(16) 0.0320(6) Uani 1 1 d . . . . .
H5A H 0.7891 0.1553 0.5095 0.048 Uiso 1 1 calc GR . . . .
H5B H 0.8369 0.0586 0.5420 0.048 Uiso 1 1 calc GR . . . .
H5C H 0.8442 0.1536 0.5894 0.048 Uiso 1 1 calc GR . . . .
C6 C 0.52558(16) 0.37575(16) 0.43035(11) 0.0118(4) Uani 1 1 d . . . . .
C7 C 0.49996(19) 0.29672(17) 0.37510(12) 0.0179(4) Uani 1 1 d . . . . .
C8 C 0.5980(2) 0.2490(2) 0.35637(14) 0.0288(6) Uani 1 1 d . . . . .
H8A H 0.6328 0.2218 0.4002 0.043 Uiso 1 1 calc GR . . . .
H8B H 0.6413 0.2963 0.3360 0.043 Uiso 1 1 calc GR . . . .
H8C H 0.5823 0.1984 0.3209 0.043 Uiso 1 1 calc GR . . . .
C9 C 0.4484(2) 0.3435(2) 0.30732(14) 0.0293(6) Uani 1 1 d . . . . .
H9A H 0.4314 0.2949 0.2706 0.044 Uiso 1 1 calc GR . . . .
H9B H 0.4940 0.3901 0.2885 0.044 Uiso 1 1 calc GR . . . .
H9C H 0.3869 0.3755 0.3195 0.044 Uiso 1 1 calc GR . . . .
C10 C 0.4314(3) 0.2229(2) 0.40440(16) 0.0347(7) Uani 1 1 d . . . . .
H10A H 0.4648 0.1947 0.4484 0.052 Uiso 1 1 calc GR . . . .
H10B H 0.4167 0.1732 0.3681 0.052 Uiso 1 1 calc GR . . . .
H10C H 0.3686 0.2532 0.4156 0.052 Uiso 1 1 calc GR . . . .
C11 C 0.27478(16) 0.56803(16) 0.37308(11) 0.0126(4) Uani 1 1 d . . . . .
C12 C 0.16338(16) 0.54755(17) 0.37741(12) 0.0152(4) Uani 1 1 d . . . . .
C13 C 0.14551(19) 0.44168(18) 0.36141(14) 0.0232(5) Uani 1 1 d . . . . .
H13A H 0.1921 0.4037 0.3933 0.035 Uiso 1 1 calc GR . . . .
H13B H 0.1569 0.4286 0.3110 0.035 Uiso 1 1 calc GR . . . .
H13C H 0.0762 0.4251 0.3697 0.035 Uiso 1 1 calc GR . . . .
C14 C 0.13933(19) 0.5697(2) 0.45502(13) 0.0232(5) Uani 1 1 d . . . . .
H14A H 0.0681 0.5569 0.4599 0.035 Uiso 1 1 calc GR . . . .
H14B H 0.1537 0.6368 0.4658 0.035 Uiso 1 1 calc GR . . . .
H14C H 0.1808 0.5297 0.4889 0.035 Uiso 1 1 calc GR . . . .
C15 C 0.09834(18) 0.60857(19) 0.32379(13) 0.0218(5) Uani 1 1 d . . . . .
H15A H 0.0273 0.5936 0.3273 0.033 Uiso 1 1 calc GR . . . .
H15B H 0.1158 0.5954 0.2747 0.033 Uiso 1 1 calc GR . . . .
H15C H 0.1102 0.6759 0.3350 0.033 Uiso 1 1 calc GR . . . .
C16 C 0.54770(17) 0.62422(17) 0.23874(11) 0.0149(4) Uani 1 1 d . . . . .
C17 C 0.57450(18) 0.62206(18) 0.16028(11) 0.0178(4) Uani 1 1 d . . . . .
C18 C 0.6778(2) 0.5743(2) 0.15661(15) 0.0348(7) Uani 1 1 d . . . . .
H18A H 0.7293 0.6109 0.1854 0.052 Uiso 1 1 calc GR . . . .
H18B H 0.6943 0.5720 0.1063 0.052 Uiso 1 1 calc GR . . . .
H18C H 0.6756 0.5096 0.1758 0.052 Uiso 1 1 calc GR . . . .
C19 C 0.5776(4) 0.7217(2) 0.12950(18) 0.0534(11) Uani 1 1 d . . . . .
H19A H 0.5123 0.7524 0.1324 0.080 Uiso 1 1 calc GR . . . .
H19B H 0.5928 0.7185 0.0789 0.080 Uiso 1 1 calc GR . . . .
H19C H 0.6298 0.7586 0.1573 0.080 Uiso 1 1 calc GR . . . .
C20 C 0.4960(3) 0.5617(3) 0.11900(17) 0.0507(10) Uani 1 1 d . . . . .
H20A H 0.4975 0.4975 0.1395 0.076 Uiso 1 1 calc GR . . . .
H20B H 0.5100 0.5585 0.0682 0.076 Uiso 1 1 calc GR . . . .
H20C H 0.4294 0.5897 0.1225 0.076 Uiso 1 1 calc GR . . . .
C21 C 0.69978(16) 0.69506(16) 0.40979(11) 0.0126(4) Uani 1 1 d . . . . .
C22 C 0.80341(16) 0.74211(17) 0.41141(12) 0.0147(4) Uani 1 1 d . . . . .
C23 C 0.88466(18) 0.6795(2) 0.44921(15) 0.0246(5) Uani 1 1 d . . . . .
H23A H 0.9504 0.7097 0.4467 0.037 Uiso 1 1 calc GR . . . .
H23B H 0.8843 0.6175 0.4254 0.037 Uiso 1 1 calc GR . . . .
H23C H 0.8716 0.6712 0.4999 0.037 Uiso 1 1 calc GR . . . .
C24 C 0.8011(2) 0.83787(18) 0.44928(17) 0.0280(6) Uani 1 1 d . . . . .
H24A H 0.7867 0.8283 0.4996 0.042 Uiso 1 1 calc GR . . . .
H24B H 0.7486 0.8777 0.4246 0.042 Uiso 1 1 calc GR . . . .
H24C H 0.8665 0.8692 0.4481 0.042 Uiso 1 1 calc GR . . . .
C25 C 0.82506(19) 0.7557(2) 0.33212(13) 0.0247(5) Uani 1 1 d . . . . .
H25A H 0.8916 0.7845 0.3302 0.037 Uiso 1 1 calc GR . . . .
H25B H 0.7739 0.7974 0.3078 0.037 Uiso 1 1 calc GR . . . .
H25C H 0.8235 0.6939 0.3078 0.037 Uiso 1 1 calc GR . . . .
C26 C 0.85550(18) 0.44331(18) 0.27160(13) 0.0201(5) Uani 1 1 d . . . . .
C27 C 0.92877(19) 0.4215(2) 0.22071(14) 0.0264(6) Uani 1 1 d . . . . .
H27A H 0.8962 0.3856 0.1800 0.040 Uiso 1 1 calc GR . . . .
H27B H 0.9833 0.3834 0.2448 0.040 Uiso 1 1 calc GR . . . .
H27C H 0.9563 0.4807 0.2030 0.040 Uiso 1 1 calc GR . . . .
Li1 Li 0.3771(3) 0.4699(3) 0.5055(2) 0.0155(7) Uani 1 1 d . . . . .
Li2 Li 0.6687(3) 0.5027(3) 0.3543(2) 0.0180(8) Uani 1 1 d . . . . .
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'
Li Li -0.0003 0.0001 '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
_geom_angle_publ_flag
O1 Bi1 O2 54.68(6) . . ?
O1 Bi1 O3 114.67(6) . . ?
O1 Bi1 O5 119.62(5) . 3_666 ?
O1 Bi1 O6 80.85(6) . 3_666 ?
O1 Bi1 O7 75.25(6) . 3_666 ?
O1 Bi1 O9 79.64(6) . 3_666 ?
O1 Bi1 C1 27.67(6) . . ?
O1 Bi1 Li1 141.14(8) . . ?
O1 Bi1 Li2 144.14(8) . 3_666 ?
O2 Bi1 O3 71.52(5) . . ?
O2 Bi1 O5 76.61(5) . 3_666 ?
O2 Bi1 C1 27.06(6) . . ?
O2 Bi1 Li1 104.94(7) . . ?
O2 Bi1 Li2 151.44(7) . 3_666 ?
O3 Bi1 O5 73.48(5) . 3_666 ?
O3 Bi1 C1 93.70(6) . . ?
O3 Bi1 Li1 33.48(7) . . ?
O3 Bi1 Li2 79.92(7) . 3_666 ?
O5 Bi1 C1 97.54(6) 3_666 . ?
O5 Bi1 Li1 79.12(7) 3_666 . ?
O5 Bi1 Li2 95.58(7) 3_666 3_666 ?
O6 Bi1 O2 74.40(6) 3_666 . ?
O6 Bi1 O3 119.61(5) 3_666 . ?
O6 Bi1 O5 50.82(5) 3_666 3_666 ?
O6 Bi1 O9 156.85(5) 3_666 3_666 ?
O6 Bi1 C1 74.85(7) 3_666 . ?
O6 Bi1 Li1 129.24(8) 3_666 . ?
O6 Bi1 Li2 121.89(8) 3_666 3_666 ?
O7 Bi1 O2 126.85(6) 3_666 . ?
O7 Bi1 O3 156.79(5) 3_666 . ?
O7 Bi1 O5 121.38(6) 3_666 3_666 ?
O7 Bi1 O6 81.81(6) 3_666 3_666 ?
O7 Bi1 O9 81.28(6) 3_666 3_666 ?
O7 Bi1 C1 101.11(6) 3_666 . ?
O7 Bi1 Li1 126.55(8) 3_666 . ?
O7 Bi1 Li2 80.83(8) 3_666 3_666 ?
O9 Bi1 O2 103.76(6) 3_666 . ?
O9 Bi1 O3 80.17(5) 3_666 . ?
O9 Bi1 O5 152.11(5) 3_666 3_666 ?
O9 Bi1 C1 93.07(6) 3_666 . ?
O9 Bi1 Li1 73.82(8) 3_666 . ?
O9 Bi1 Li2 70.54(8) 3_666 3_666 ?
C1 Bi1 Li1 126.32(8) . . ?
C1 Bi1 Li2 163.14(8) . 3_666 ?
Li1 Bi1 Li2 46.53(9) . 3_666 ?
C1 O1 Bi1 98.52(14) . . ?
C1 O2 Bi1 86.59(13) . . ?
C6 O3 Bi1 130.57(13) . . ?
C6 O3 Li1 127.77(18) . . ?
Li1 O3 Bi1 95.29(12) . . ?
C6 O4 Li1 115.40(18) . 3_666 ?
C6 O4 Li2 151.69(19) . . ?
Li2 O4 Li1 91.32(18) . 3_666 ?
C11 O5 Bi1 84.61(13) . 3_666 ?
C11 O5 Li1 151.53(19) . . ?
Li1 O5 Bi1 113.83(14) . 3_666 ?
C11 O6 Bi1 101.15(13) . 3_666 ?
C16 O7 Bi1 105.03(14) . 3_666 ?
C16 O8 Li2 158.5(2) . . ?
C21 O9 Bi1 114.10(14) . 3_666 ?
C21 O10 Li1 135.80(18) . 3_666 ?
C21 O10 Li2 126.62(18) . . ?
Li2 O10 Li1 87.71(17) . 3_666 ?
C26 N1 Li2 163.1(2) . . ?
O1 C1 Bi1 53.81(11) . . ?
O1 C1 C2 118.5(2) . . ?
O2 C1 Bi1 66.35(12) . . ?
O2 C1 O1 120.0(2) . . ?
O2 C1 C2 121.5(2) . . ?
C2 C1 Bi1 171.91(16) . . ?
C1 C2 C3 105.5(2) . . ?
C1 C2 C4 111.3(2) . . ?
C1 C2 C5 108.9(2) . . ?
C3 C2 C5 110.4(2) . . ?
C4 C2 C3 109.9(2) . . ?
C4 C2 C5 110.7(2) . . ?
O3 C6 C7 118.4(2) . . ?
O3 C6 Li1 82.57(15) . 3_666 ?
O4 C6 O3 122.6(2) . . ?
O4 C6 C7 118.90(18) . . ?
O4 C6 Li1 40.21(13) . 3_666 ?
C7 C6 Li1 159.00(17) . 3_666 ?
C6 C7 C8 109.0(2) . . ?
C9 C7 C6 107.3(2) . . ?
C9 C7 C8 109.4(2) . . ?
C10 C7 C6 111.26(19) . . ?
C10 C7 C8 109.5(2) . . ?
C10 C7 C9 110.4(2) . . ?
O5 C11 O6 121.1(2) . . ?
O5 C11 C12 118.88(19) . . ?
O6 C11 C12 119.98(19) . . ?
C11 C12 C13 108.02(19) . . ?
C11 C12 C14 107.26(18) . . ?
C11 C12 C15 111.14(19) . . ?
C13 C12 C14 109.7(2) . . ?
C15 C12 C13 110.48(19) . . ?
C15 C12 C14 110.1(2) . . ?
O7 C16 C17 117.7(2) . . ?
O8 C16 O7 122.0(2) . . ?
O8 C16 C17 120.3(2) . . ?
C16 C17 C18 109.61(19) . . ?
C19 C17 C16 110.9(2) . . ?
C19 C17 C18 109.4(3) . . ?
C20 C17 C16 106.6(2) . . ?
C20 C17 C18 108.5(3) . . ?
C20 C17 C19 111.8(3) . . ?
O9 C21 O10 123.4(2) . . ?
O9 C21 C22 116.9(2) . . ?
O10 C21 C22 119.66(19) . . ?
C21 C22 C25 106.30(18) . . ?
C23 C22 C21 111.42(19) . . ?
C23 C22 C24 110.0(2) . . ?
C23 C22 C25 109.2(2) . . ?
C24 C22 C21 109.68(19) . . ?
C24 C22 C25 110.2(2) . . ?
N1 C26 C27 179.0(3) . . ?
O3 Li1 Bi1 51.23(10) . . ?
O3 Li1 O4 119.2(2) . 3_666 ?
O3 Li1 O10 98.22(18) . 3_666 ?
O3 Li1 C6 107.45(17) . 3_666 ?
O3 Li1 Li1 57.26(13) . 3_666 ?
O3 Li1 Li2 119.90(19) . 3_666 ?
O4 Li1 Bi1 79.69(12) 3_666 . ?
O4 Li1 O10 88.84(16) 3_666 3_666 ?
O4 Li1 C6 24.39(8) 3_666 3_666 ?
O4 Li1 Li1 74.44(16) 3_666 3_666 ?
O4 Li1 Li2 43.21(12) 3_666 3_666 ?
O5 Li1 Bi1 154.49(18) . . ?
O5 Li1 O3 104.45(19) . . ?
O5 Li1 O4 112.5(2) . 3_666 ?
O5 Li1 O10 134.4(2) . 3_666 ?
O5 Li1 C6 97.82(17) . 3_666 ?
O5 Li1 Li1 92.04(18) . 3_666 ?
O5 Li1 Li2 135.5(2) . 3_666 ?
O10 Li1 Bi1 65.12(11) 3_666 . ?
O10 Li1 C6 112.39(17) 3_666 3_666 ?
O10 Li1 Li1 133.2(2) 3_666 3_666 ?
O10 Li1 Li2 45.85(12) 3_666 3_666 ?
C6 Li1 Bi1 84.83(10) 3_666 . ?
C6 Li1 Li1 53.79(12) 3_666 3_666 ?
C6 Li1 Li2 67.35(13) 3_666 3_666 ?
Li1 Li1 Bi1 68.99(12) 3_666 . ?
Li2 Li1 Bi1 68.86(11) 3_666 . ?
Li2 Li1 Li1 108.43(19) 3_666 3_666 ?
O4 Li2 Bi1 77.52(13) . 3_666 ?
O4 Li2 O8 109.0(2) . . ?
O4 Li2 O10 91.68(17) . . ?
O4 Li2 N1 128.2(2) . . ?
O4 Li2 Li1 45.47(13) . 3_666 ?
O8 Li2 Bi1 51.22(11) . 3_666 ?
O8 Li2 O10 101.1(2) . . ?
O8 Li2 N1 109.9(2) . . ?
O8 Li2 Li1 115.56(19) . 3_666 ?
O10 Li2 Bi1 62.54(11) . 3_666 ?
O10 Li2 N1 112.6(2) . . ?
O10 Li2 Li1 46.44(12) . 3_666 ?
N1 Li2 Bi1 154.16(19) . 3_666 ?
N1 Li2 Li1 132.6(2) . 3_666 ?
Li1 Li2 Bi1 64.61(11) 3_666 3_666 ?
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 O1 2.2362(17) . ?
Bi1 O2 2.5146(17) . ?
Bi1 O3 2.6871(14) . ?
Bi1 O5 2.7183(16) 3_666 ?
Bi1 O6 2.3552(16) 3_666 ?
Bi1 O7 2.2938(16) 3_666 ?
Bi1 O9 2.4137(16) 3_666 ?
Bi1 C1 2.740(2) . ?
Bi1 Li1 3.432(4) . ?
Bi1 Li2 3.543(4) 3_666 ?
O1 C1 1.287(3) . ?
O2 C1 1.249(3) . ?
O3 C6 1.259(2) . ?
O3 Li1 1.901(4) . ?
O4 C6 1.258(3) . ?
O4 Li1 1.966(4) 3_666 ?
O4 Li2 1.888(4) . ?
O5 Bi1 2.7182(16) 3_666 ?
O5 C11 1.256(3) . ?
O5 Li1 1.877(4) . ?
O6 Bi1 2.3552(16) 3_666 ?
O6 C11 1.272(3) . ?
O7 Bi1 2.2938(16) 3_666 ?
O7 C16 1.273(3) . ?
O8 C16 1.247(3) . ?
O8 Li2 1.896(4) . ?
O9 Bi1 2.4137(16) 3_666 ?
O9 C21 1.262(3) . ?
O10 C21 1.263(3) . ?
O10 Li1 1.999(4) 3_666 ?
O10 Li2 1.980(4) . ?
N1 C26 1.141(3) . ?
N1 Li2 2.048(4) . ?
C1 C2 1.517(3) . ?
C2 C3 1.530(4) . ?
C2 C4 1.521(3) . ?
C2 C5 1.530(4) . ?
C6 C7 1.533(3) . ?
C6 Li1 2.751(5) 3_666 ?
C7 C8 1.539(4) . ?
C7 C9 1.531(4) . ?
C7 C10 1.517(4) . ?
C11 C12 1.525(3) . ?
C12 C13 1.535(3) . ?
C12 C14 1.538(3) . ?
C12 C15 1.528(3) . ?
C16 C17 1.533(3) . ?
C17 C18 1.542(4) . ?
C17 C19 1.518(4) . ?
C17 C20 1.507(4) . ?
C21 C22 1.532(3) . ?
C22 C23 1.521(3) . ?
C22 C24 1.523(3) . ?
C22 C25 1.539(3) . ?
C26 C27 1.453(3) . ?
Li1 O4 1.966(4) 3_666 ?
Li1 O10 1.999(4) 3_666 ?
Li1 C6 2.751(5) 3_666 ?
Li1 Li1 3.415(8) 3_666 ?
Li1 Li2 2.757(5) 3_666 ?
Li2 Bi1 3.543(4) 3_666 ?
Li2 Li1 2.757(5) 3_666 ?
