#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:43:21 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179074 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/36/4303665.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_4303665
loop_
_publ_author_name
'Xiaodi Kou'
'Xiaoyu Wang'
'Daniel Mendoza-Espinosa'
'Lev N. Zakharov'
'Arnold L. Rheingold'
'William H. Watson'
'Kimberly A. Brien'
'L. Kasun Jayarathna'
'Tracy A. Hanna'
_publ_section_title
;
Bismuth Aryloxides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11002
_journal_page_last               11016
_journal_paper_doi               10.1021/ic901134t
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C90 H90 Bi4 Li2 O12'
_chemical_formula_weight         2213.42
_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           SHELXLTL
_cell_angle_alpha                109.9310(10)
_cell_angle_beta                 104.1920(10)
_cell_angle_gamma                101.7880(10)
_cell_formula_units_Z            1
_cell_length_a                   12.6805(9)
_cell_length_b                   13.1859(9)
_cell_length_c                   14.0822(10)
_cell_measurement_reflns_used    7533
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     2036.2(2)
_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      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'CCD area detector Bruker Apex'
_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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0331
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20850
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    8.677
_exptl_absorpt_correction_T_max  0.2757
_exptl_absorpt_correction_T_min  0.2203
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.206
_refine_diff_density_min         -0.956
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         9083
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0247
_refine_ls_R_factor_gt           0.0208
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0461
_refine_ls_wR_factor_ref         0.0472
_reflns_number_gt                8093
_reflns_number_total             9083
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901134t_si_001_09.cif
_cod_data_source_block           tcu104
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4303665
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.014894(9) 0.116659(8) 0.456002(8) 0.01099(3) Uani 1 1 d . . .
Bi2 Bi -0.224476(9) -0.146861(8) 0.278608(8) 0.01246(3) Uani 1 1 d . . .
O1 O -0.10786(16) 0.15725(16) 0.55008(15) 0.0152(4) Uani 1 1 d . . .
O2 O 0.11211(16) 0.02436(16) 0.35284(15) 0.0150(4) Uani 1 1 d . . .
O3 O -0.14799(16) 0.03423(16) 0.28775(15) 0.0152(4) Uani 1 1 d . . .
O4 O -0.10754(17) -0.21183(17) 0.20817(15) 0.0181(5) Uani 1 1 d . . .
O5 O -0.21319(17) -0.24899(16) 0.37747(15) 0.0185(5) Uani 1 1 d . . .
O6 O -0.07338(16) -0.06072(15) 0.40953(14) 0.0122(4) Uani 1 1 d . . .
C11 C -0.2220(2) 0.1306(2) 0.5016(2) 0.0139(6) Uani 1 1 d . . .
C12 C -0.2951(3) 0.0198(2) 0.4681(2) 0.0163(6) Uani 1 1 d . . .
H12A H -0.2633 -0.0365 0.4786 0.020 Uiso 1 1 calc R . .
C13 C -0.4134(3) -0.0093(2) 0.4195(2) 0.0180(6) Uani 1 1 d . . .
H13A H -0.4613 -0.0847 0.3970 0.022 Uiso 1 1 calc R . .
C14 C -0.4609(3) 0.0723(3) 0.4043(2) 0.0211(7) Uani 1 1 d . . .
H14A H -0.5413 0.0533 0.3708 0.025 Uiso 1 1 calc R . .
C15 C -0.3893(3) 0.1819(2) 0.4385(2) 0.0198(7) Uani 1 1 d . . .
H15A H -0.4223 0.2377 0.4288 0.024 Uiso 1 1 calc R . .
C16 C -0.2708(3) 0.2135(2) 0.4868(2) 0.0169(6) Uani 1 1 d . . .
C17 C -0.1993(3) 0.3357(3) 0.5267(3) 0.0246(7) Uani 1 1 d . . .
H17A H -0.1188 0.3456 0.5656 0.029 Uiso 1 1 calc R . .
H17B H -0.2005 0.3553 0.4646 0.029 Uiso 1 1 calc R . .
C18 C -0.2430(3) 0.4145(3) 0.6001(3) 0.0302(8) Uani 1 1 d . . .
H18A H -0.2377 0.4089 0.6665 0.036 Uiso 1 1 calc R . .
C19 C -0.2877(3) 0.4901(3) 0.5826(3) 0.0330(8) Uani 1 1 d . . .
H19A H -0.2951 0.4993 0.5175 0.040 Uiso 1 1 calc R . .
H19B H -0.3129 0.5360 0.6350 0.040 Uiso 1 1 calc R . .
C21 C 0.1928(2) 0.0778(2) 0.3239(2) 0.0132(6) Uani 1 1 d . . .
C22 C 0.2681(2) 0.1872(2) 0.3920(2) 0.0161(6) Uani 1 1 d . . .
H22A H 0.2633 0.2246 0.4608 0.019 Uiso 1 1 calc R . .
C23 C 0.3497(3) 0.2421(3) 0.3607(2) 0.0202(7) Uani 1 1 d . . .
H23A H 0.3996 0.3167 0.4078 0.024 Uiso 1 1 calc R . .
C24 C 0.3586(3) 0.1888(3) 0.2613(2) 0.0211(7) Uani 1 1 d . . .
H24A H 0.4141 0.2262 0.2393 0.025 Uiso 1 1 calc R . .
C25 C 0.2855(3) 0.0799(3) 0.1941(2) 0.0197(7) Uani 1 1 d . . .
H25A H 0.2923 0.0428 0.1261 0.024 Uiso 1 1 calc R . .
C26 C 0.2029(2) 0.0236(2) 0.2230(2) 0.0149(6) Uani 1 1 d . . .
C27 C 0.1226(3) -0.0941(3) 0.1461(2) 0.0207(7) Uani 1 1 d . . .
H27A H 0.0439 -0.0965 0.1453 0.025 Uiso 1 1 calc R . .
H27B H 0.1236 -0.1066 0.0730 0.025 Uiso 1 1 calc R . .
C28 C 0.1483(3) -0.1909(3) 0.1699(3) 0.0247(7) Uani 1 1 d . . .
H28A H 0.1011 -0.2656 0.1201 0.030 Uiso 1 1 calc R . .
C29 C 0.2304(3) -0.1814(3) 0.2537(3) 0.0261(7) Uani 1 1 d . . .
H29A H 0.2797 -0.1083 0.3055 0.031 Uiso 1 1 calc R . .
H29B H 0.2404 -0.2476 0.2622 0.031 Uiso 1 1 calc R . .
C31 C -0.2109(2) 0.0730(2) 0.2218(2) 0.0152(6) Uani 1 1 d . . .
C32 C -0.3282(3) 0.0538(2) 0.2076(2) 0.0184(6) Uani 1 1 d . . .
H32A H -0.3616 0.0184 0.2463 0.022 Uiso 1 1 calc R . .
C33 C -0.3946(3) 0.0867(3) 0.1371(2) 0.0233(7) Uani 1 1 d . . .
H33A H -0.4740 0.0729 0.1269 0.028 Uiso 1 1 calc R . .
C34 C -0.3462(3) 0.1394(3) 0.0818(2) 0.0246(7) Uani 1 1 d . . .
H34A H -0.3923 0.1598 0.0317 0.029 Uiso 1 1 calc R . .
C35 C -0.2305(3) 0.1621(3) 0.0997(2) 0.0226(7) Uani 1 1 d . . .
H35A H -0.1968 0.2015 0.0637 0.027 Uiso 1 1 calc R . .
C36 C -0.1612(3) 0.1289(2) 0.1691(2) 0.0177(6) Uani 1 1 d . . .
C37 C -0.0341(3) 0.1576(3) 0.1883(2) 0.0199(7) Uani 1 1 d . . .
H37A H -0.0092 0.0928 0.1938 0.024 Uiso 1 1 calc R . .
H37B H -0.0201 0.1674 0.1253 0.024 Uiso 1 1 calc R . .
C38 C 0.0378(3) 0.2632(3) 0.2879(2) 0.0220(7) Uani 1 1 d . . .
H38A H 0.1169 0.2905 0.2978 0.026 Uiso 1 1 calc R . .
C39 C 0.0022(3) 0.3216(3) 0.3624(3) 0.0275(8) Uani 1 1 d . . .
H39A H -0.0761 0.2978 0.3561 0.033 Uiso 1 1 calc R . .
H39B H 0.0547 0.3875 0.4226 0.033 Uiso 1 1 calc R . .
C41 C -0.1334(2) -0.2998(3) 0.1100(2) 0.0184(6) Uani 1 1 d . . .
C42 C -0.1194(3) -0.4025(3) 0.1090(3) 0.0261(7) Uani 1 1 d . . .
H42A H -0.0997 -0.4122 0.1743 0.031 Uiso 1 1 calc R . .
C43 C -0.1343(3) -0.4902(3) 0.0132(3) 0.0402(10) Uani 1 1 d . . .
H43A H -0.1247 -0.5601 0.0123 0.048 Uiso 1 1 calc R . .
C44 C -0.1632(4) -0.4749(3) -0.0809(3) 0.0464(11) Uani 1 1 d . . .
H44A H -0.1721 -0.5344 -0.1467 0.056 Uiso 1 1 calc R . .
C45 C -0.1792(3) -0.3745(3) -0.0809(3) 0.0371(9) Uani 1 1 d . . .
H45A H -0.1997 -0.3661 -0.1467 0.044 Uiso 1 1 calc R . .
C46 C -0.1659(3) -0.2852(3) 0.0142(2) 0.0232(7) Uani 1 1 d . . .
C47 C -0.1903(3) -0.1786(3) 0.0141(3) 0.0264(7) Uani 1 1 d . . .
H47A H -0.1737 -0.1653 -0.0465 0.032 Uiso 1 1 calc R . .
H47B H -0.1379 -0.1136 0.0815 0.032 Uiso 1 1 calc R . .
C48 C -0.3116(3) -0.1821(3) 0.0045(2) 0.0263(8) Uani 1 1 d . . .
H48A H -0.3300 -0.1144 0.0103 0.032 Uiso 1 1 calc R . .
C49 C -0.3942(3) -0.2705(3) -0.0113(3) 0.0357(9) Uani 1 1 d . . .
H49A H -0.3794 -0.3399 -0.0176 0.043 Uiso 1 1 calc R . .
H49B H -0.4688 -0.2652 -0.0164 0.043 Uiso 1 1 calc R . .
C51 C -0.2616(2) -0.3631(2) 0.3449(2) 0.0145(6) Uani 1 1 d . . .
C52 C -0.1936(3) -0.4334(3) 0.3327(2) 0.0214(7) Uani 1 1 d . . .
H52A H -0.1139 -0.4013 0.3483 0.026 Uiso 1 1 calc R . .
C53 C -0.2401(3) -0.5498(3) 0.2982(3) 0.0281(8) Uani 1 1 d . . .
H53A H -0.1929 -0.5973 0.2888 0.034 Uiso 1 1 calc R . .
C54 C -0.3557(3) -0.5961(3) 0.2775(3) 0.0320(8) Uani 1 1 d . . .
H54A H -0.3882 -0.6757 0.2544 0.038 Uiso 1 1 calc R . .
C55 C -0.4239(3) -0.5265(3) 0.2903(3) 0.0267(7) Uani 1 1 d . . .
H55A H -0.5032 -0.5593 0.2763 0.032 Uiso 1 1 calc R . .
C56 C -0.3797(3) -0.4100(2) 0.3231(2) 0.0186(6) Uani 1 1 d . . .
C57 C -0.4577(3) -0.3378(3) 0.3318(3) 0.0242(7) Uani 1 1 d . . .
H57A H -0.5161 -0.3675 0.3596 0.029 Uiso 1 1 calc R . .
H57B H -0.4121 -0.2593 0.3848 0.029 Uiso 1 1 calc R . .
C58 C -0.5177(3) -0.3342(3) 0.2279(3) 0.0333(9) Uani 1 1 d . . .
H58A H -0.5665 -0.2882 0.2300 0.040 Uiso 1 1 calc R . .
C59 C -0.5094(3) -0.3884(3) 0.1344(3) 0.0457(11) Uani 1 1 d . . .
H59A H -0.4617 -0.4355 0.1283 0.055 Uiso 1 1 calc R . .
H59B H -0.5511 -0.3806 0.0728 0.055 Uiso 1 1 calc R . .
Li1 Li 0.0475(4) -0.1292(4) 0.3260(4) 0.0189(11) Uiso 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'
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'
Li Li -0.0003 0.0001 '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
O6 Bi1 O6 68.21(8) . 2_556 ?
O6 Bi1 O1 86.65(7) . . ?
O6 Bi1 O1 77.76(7) 2_556 . ?
O6 Bi1 O2 77.39(7) . . ?
O6 Bi1 O2 94.96(7) 2_556 . ?
O1 Bi1 O2 164.00(7) . . ?
O6 Bi1 O3 67.14(6) . . ?
O6 Bi1 O3 134.05(7) 2_556 . ?
O1 Bi1 O3 89.35(7) . . ?
O2 Bi1 O3 85.58(7) . . ?
O6 Bi1 O5 126.81(6) . 2_556 ?
O6 Bi1 O5 60.93(6) 2_556 2_556 ?
O1 Bi1 O5 96.68(6) . 2_556 ?
O2 Bi1 O5 92.01(7) . 2_556 ?
O3 Bi1 O5 164.95(6) . 2_556 ?
O6 Bi1 Li1 43.81(10) . . ?
O6 Bi1 Li1 78.02(10) 2_556 . ?
O1 Bi1 Li1 130.13(11) . . ?
O2 Bi1 Li1 33.87(10) . . ?
O3 Bi1 Li1 77.52(9) . . ?
O5 Bi1 Li1 108.31(9) 2_556 . ?
O6 Bi1 Li1 79.15(10) . 2_556 ?
O6 Bi1 Li1 43.82(9) 2_556 2_556 ?
O1 Bi1 Li1 34.29(9) . 2_556 ?
O2 Bi1 Li1 138.11(9) . 2_556 ?
O3 Bi1 Li1 116.03(10) . 2_556 ?
O5 Bi1 Li1 75.21(10) 2_556 2_556 ?
Li1 Bi1 Li1 112.54(10) . 2_556 ?
O6 Bi1 Bi1 35.07(5) . 2_556 ?
O6 Bi1 Bi1 33.14(5) 2_556 2_556 ?
O1 Bi1 Bi1 80.47(5) . 2_556 ?
O2 Bi1 Bi1 85.70(5) . 2_556 ?
O3 Bi1 Bi1 101.62(4) . 2_556 ?
O5 Bi1 Bi1 92.99(4) 2_556 2_556 ?
Li1 Bi1 Bi1 56.41(9) . 2_556 ?
Li1 Bi1 Bi1 56.13(8) 2_556 2_556 ?
O6 Bi1 Bi2 28.96(4) . . ?
O6 Bi1 Bi2 95.97(5) 2_556 . ?
O1 Bi1 Bi2 84.34(5) . . ?
O2 Bi1 Bi2 82.26(5) . . ?
O3 Bi1 Bi2 38.44(4) . . ?
O5 Bi1 Bi2 155.77(4) 2_556 . ?
Li1 Bi1 Bi2 55.88(9) . . ?
Li1 Bi1 Bi2 93.40(9) 2_556 . ?
Bi1 Bi1 Bi2 63.204(5) 2_556 . ?
O6 Bi2 O4 80.30(7) . . ?
O6 Bi2 O5 72.58(7) . . ?
O4 Bi2 O5 91.22(8) . . ?
O6 Bi2 O3 70.73(6) . . ?
O4 Bi2 O3 92.93(7) . . ?
O5 Bi2 O3 141.77(7) . . ?
O6 Bi2 Li1 43.78(10) . . ?
O4 Bi2 Li1 36.56(10) . . ?
O5 Bi2 Li1 81.85(10) . . ?
O3 Bi2 Li1 79.21(10) . . ?
O6 Bi2 Bi1 30.30(5) . . ?
O4 Bi2 Bi1 88.12(5) . . ?
O5 Bi2 Bi1 101.58(5) . . ?
O3 Bi2 Bi1 40.70(4) . . ?
Li1 Bi2 Bi1 56.17(9) . . ?
C11 O1 Li1 121.5(2) . 2_556 ?
C11 O1 Bi1 122.98(16) . . ?
Li1 O1 Bi1 102.91(17) 2_556 . ?
C21 O2 Li1 133.4(2) . . ?
C21 O2 Bi1 123.75(17) . . ?
Li1 O2 Bi1 102.82(18) . . ?
C31 O3 Bi2 119.86(17) . . ?
C31 O3 Bi1 137.18(17) . . ?
Bi2 O3 Bi1 100.86(6) . . ?
C41 O4 Li1 127.4(2) . . ?
C41 O4 Bi2 127.68(17) . . ?
Li1 O4 Bi2 104.42(17) . . ?
C51 O5 Bi2 128.45(16) . . ?
C51 O5 Bi1 125.22(16) . 2_556 ?
Bi2 O5 Bi1 101.57(7) . 2_556 ?
Bi2 O6 Bi1 120.74(8) . . ?
Bi2 O6 Bi1 124.85(9) . 2_556 ?
Bi1 O6 Bi1 111.79(7) . 2_556 ?
Bi2 O6 Li1 97.51(14) . . ?
Bi1 O6 Li1 95.49(15) . . ?
Bi1 O6 Li1 92.93(13) 2_556 . ?
O1 C11 C12 120.3(2) . . ?
O1 C11 C16 121.1(3) . . ?
C12 C11 C16 118.6(3) . . ?
C13 C12 C11 121.3(3) . . ?
C14 C13 C12 119.9(3) . . ?
C13 C14 C15 118.9(3) . . ?
C14 C15 C16 122.7(3) . . ?
C15 C16 C11 118.6(3) . . ?
C15 C16 C17 119.5(2) . . ?
C11 C16 C17 121.8(3) . . ?
C18 C17 C16 111.4(3) . . ?
C19 C18 C17 127.0(3) . . ?
O2 C21 C22 121.7(3) . . ?
O2 C21 C26 120.0(3) . . ?
C22 C21 C26 118.3(3) . . ?
C23 C22 C21 121.2(3) . . ?
C24 C23 C22 120.2(3) . . ?
C23 C24 C25 118.9(3) . . ?
C24 C25 C26 122.0(3) . . ?
C25 C26 C21 119.3(3) . . ?
C25 C26 C27 120.3(3) . . ?
C21 C26 C27 120.3(3) . . ?
C28 C27 C26 116.2(2) . . ?
C29 C28 C27 125.8(3) . . ?
C29 C28 Li1 80.4(2) . . ?
C27 C28 Li1 85.7(2) . . ?
O3 C31 C36 121.1(3) . . ?
O3 C31 C32 118.8(3) . . ?
C36 C31 C32 120.1(2) . . ?
C33 C32 C31 119.9(3) . . ?
C34 C33 C32 120.3(3) . . ?
C35 C34 C33 119.3(3) . . ?
C34 C35 C36 121.9(3) . . ?
C31 C36 C35 118.4(3) . . ?
C31 C36 C37 121.3(2) . . ?
C35 C36 C37 120.2(3) . . ?
C38 C37 C36 114.0(3) . . ?
C39 C38 C37 126.4(3) . . ?
O4 C41 C42 117.9(3) . . ?
O4 C41 C46 121.3(3) . . ?
C42 C41 C46 120.8(3) . . ?
C43 C42 C41 120.1(3) . . ?
C44 C43 C42 119.2(3) . . ?
C43 C44 C45 121.0(3) . . ?
C44 C45 C46 121.0(3) . . ?
C45 C46 C41 117.9(3) . . ?
C45 C46 C47 121.3(3) . . ?
C41 C46 C47 120.8(3) . . ?
C46 C47 C48 113.7(3) . . ?
C49 C48 C47 125.5(3) . . ?
O5 C51 C52 119.4(3) . . ?
O5 C51 C56 120.8(3) . . ?
C52 C51 C56 119.8(3) . . ?
C53 C52 C51 121.1(3) . . ?
C54 C53 C52 119.4(3) . . ?
C53 C54 C55 120.0(3) . . ?
C54 C55 C56 121.7(3) . . ?
C55 C56 C51 118.1(3) . . ?
C55 C56 C57 120.1(3) . . ?
C51 C56 C57 121.8(3) . . ?
C58 C57 C56 114.0(3) . . ?
C59 C58 C57 126.3(3) . . ?
O2 Li1 O1 111.0(3) . 2_556 ?
O2 Li1 O4 115.5(2) . . ?
O1 Li1 O4 127.9(3) 2_556 . ?
O2 Li1 O6 83.7(2) . . ?
O1 Li1 O6 85.6(2) 2_556 . ?
O4 Li1 O6 77.68(18) . . ?
O2 Li1 C28 88.7(2) . . ?
O1 Li1 C28 115.2(2) 2_556 . ?
O4 Li1 C28 88.36(19) . . ?
O6 Li1 C28 159.2(2) . . ?
O2 Li1 Bi2 100.55(19) . . ?
O1 Li1 Bi2 111.3(2) 2_556 . ?
O4 Li1 Bi2 39.01(11) . . ?
O6 Li1 Bi2 38.71(9) . . ?
C28 Li1 Bi2 125.25(18) . . ?
O2 Li1 Bi1 43.31(12) . . ?
O1 Li1 Bi1 96.55(19) 2_556 . ?
O4 Li1 Bi1 101.36(18) . . ?
O6 Li1 Bi1 40.69(9) . . ?
C28 Li1 Bi1 130.58(19) . . ?
Bi2 Li1 Bi1 67.96(10) . . ?
O2 Li1 Bi1 104.2(2) . 2_556 ?
O1 Li1 Bi1 42.79(12) 2_556 2_556 ?
O4 Li1 Bi1 102.4(2) . 2_556 ?
O6 Li1 Bi1 43.25(10) . 2_556 ?
C28 Li1 Bi1 157.22(18) . 2_556 ?
Bi2 Li1 Bi1 71.45(11) . 2_556 ?
Bi1 Li1 Bi1 67.46(10) . 2_556 ?
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 O6 2.1632(18) . ?
Bi1 O6 2.2731(17) 2_556 ?
Bi1 O1 2.3093(19) . ?
Bi1 O2 2.3232(19) . ?
Bi1 O3 2.4472(18) . ?
Bi1 O5 2.7190(19) 2_556 ?
Bi1 Li1 3.303(5) . ?
Bi1 Li1 3.313(5) 2_556 ?
Bi1 Bi1 3.6738(3) 2_556 ?
Bi1 Bi2 3.6854(2) . ?
Bi2 O6 2.0763(18) . ?
Bi2 O4 2.139(2) . ?
Bi2 O5 2.2431(19) . ?
Bi2 O3 2.3328(19) . ?
Bi2 Li1 3.291(5) . ?
O1 C11 1.352(3) . ?
O1 Li1 1.915(5) 2_556 ?
O2 C21 1.347(3) . ?
O2 Li1 1.888(5) . ?
O3 C31 1.374(3) . ?
O4 C41 1.376(3) . ?
O4 Li1 2.025(5) . ?
O5 C51 1.365(3) . ?
O5 Bi1 2.7190(19) 2_556 ?
O6 Bi1 2.2730(17) 2_556 ?
O6 Li1 2.297(5) . ?
C11 C12 1.407(4) . ?
C11 C16 1.411(4) . ?
C12 C13 1.396(4) . ?
C13 C14 1.387(4) . ?
C14 C15 1.385(4) . ?
C15 C16 1.395(4) . ?
C16 C17 1.506(4) . ?
C17 C18 1.496(4) . ?
C18 C19 1.307(4) . ?
C21 C22 1.399(4) . ?
C21 C26 1.408(4) . ?
C22 C23 1.386(4) . ?
C23 C24 1.381(4) . ?
C24 C25 1.384(4) . ?
C25 C26 1.384(4) . ?
C26 C27 1.511(4) . ?
C27 C28 1.502(4) . ?
C28 C29 1.317(4) . ?
C28 Li1 2.777(6) . ?
C31 C36 1.379(4) . ?
C31 C32 1.408(4) . ?
C32 C33 1.384(4) . ?
C33 C34 1.377(5) . ?
C34 C35 1.377(4) . ?
C35 C36 1.396(4) . ?
C36 C37 1.510(4) . ?
C37 C38 1.504(4) . ?
C38 C39 1.312(4) . ?
C41 C42 1.397(4) . ?
C41 C46 1.401(4) . ?
C42 C43 1.384(5) . ?
C43 C44 1.381(5) . ?
C44 C45 1.380(5) . ?
C45 C46 1.393(4) . ?
C46 C47 1.500(4) . ?
C47 C48 1.500(4) . ?
C48 C49 1.310(4) . ?
C51 C52 1.387(4) . ?
C51 C56 1.409(4) . ?
C52 C53 1.385(4) . ?
C53 C54 1.382(5) . ?
C54 C55 1.383(4) . ?
C55 C56 1.387(4) . ?
C56 C57 1.505(4) . ?
C57 C58 1.497(4) . ?
C58 C59 1.308(5) . ?
Li1 O1 1.915(5) 2_556 ?
Li1 Bi1 3.313(5) 2_556 ?
