#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:38:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179070 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/32/4303289.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_4303289
loop_
_publ_author_name
'Richard D. Adams'
'William C. Pearl'
_publ_section_title
;
Rhenium-Bismuth Carbonyl Cluster Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9519
_journal_page_last               9525
_journal_paper_doi               10.1021/ic901176x
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C48 H30 Bi3 O12 Re3'
_chemical_formula_weight         1984.26
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.0700(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.9528(5)
_cell_length_b                   14.1317(5)
_cell_length_c                   15.0482(6)
_cell_measurement_reflns_used    8195
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      25.43
_cell_measurement_theta_min      2.24
_cell_volume                     2531.90(17)
_computing_cell_refinement       'SAINT+  V6.45 (Bruker, 2003)'
_computing_data_collection       'SMART V5.632 (Bruker, 2005)'
_computing_data_reduction        'SAINT+  V6.45'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.0532
_diffrn_reflns_av_sigmaI/netI    0.0636
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41593
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.36
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    17.588
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.505
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.649
_refine_diff_density_min         -0.684
_refine_diff_density_rms         0.167
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.023(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         12591
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0369
_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)+(0.0125P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0664
_reflns_number_gt                10657
_reflns_number_total             12591
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901176x_si_001_2.cif
_cod_data_source_block           p21
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' 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               4303289
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Re1 Re 0.63204(4) -0.05743(3) 0.62815(3) 0.04441(11) Uani 1 1 d . . .
Re2 Re 0.76578(4) 0.17883(3) 0.88761(3) 0.04166(10) Uani 1 1 d . . .
Re3 Re 0.79562(3) -0.17930(3) 0.93851(2) 0.03940(10) Uani 1 1 d . . .
Bi1 Bi 0.68348(3) 0.12046(3) 0.71203(2) 0.03925(9) Uani 1 1 d . . .
Bi2 Bi 0.71056(3) 0.00493(3) 0.96998(2) 0.03927(9) Uani 1 1 d . . .
Bi3 Bi 0.79237(3) -0.14641(2) 0.75130(2) 0.03576(9) Uani 1 1 d . . .
O11 O 0.8171(9) -0.0292(8) 0.4966(6) 0.097(4) Uani 1 1 d . . .
O12 O 0.4592(10) 0.0368(8) 0.4939(8) 0.121(5) Uani 1 1 d . . .
O13 O 0.4519(9) -0.1101(8) 0.7545(8) 0.097(3) Uani 1 1 d . . .
O14 O 0.5771(10) -0.2487(7) 0.5387(7) 0.098(3) Uani 1 1 d . . .
O21 O 1.0080(8) 0.1041(8) 0.8744(6) 0.084(3) Uani 1 1 d . . .
O22 O 0.8353(10) 0.2526(7) 1.0748(6) 0.098(4) Uani 1 1 d . . .
O23 O 0.5209(9) 0.2496(7) 0.9077(6) 0.081(3) Uani 1 1 d . . .
O24 O 0.8399(9) 0.3679(6) 0.8137(6) 0.080(3) Uani 1 1 d . . .
O31 O 1.0294(8) -0.0822(7) 0.9705(6) 0.078(3) Uani 1 1 d . . .
O32 O 0.7980(11) -0.2281(7) 1.1369(6) 0.103(4) Uani 1 1 d . . .
O33 O 0.5522(8) -0.2558(8) 0.9035(7) 0.086(3) Uani 1 1 d . . .
O34 O 0.9090(8) -0.3704(6) 0.9096(6) 0.075(3) Uani 1 1 d . . .
C11 C 0.7506(13) -0.0371(9) 0.5458(8) 0.069(4) Uani 1 1 d . . .
C12 C 0.5244(12) 0.0040(10) 0.5475(9) 0.077(4) Uani 1 1 d . . .
C13 C 0.5187(10) -0.0853(9) 0.7094(9) 0.063(3) Uani 1 1 d . . .
C14 C 0.5999(10) -0.1770(10) 0.5714(7) 0.063(3) Uani 1 1 d . . .
C21 C 0.9177(12) 0.1289(9) 0.8771(7) 0.057(3) Uani 1 1 d . . .
C22 C 0.8102(11) 0.2224(9) 1.0064(8) 0.059(3) Uani 1 1 d . . .
C23 C 0.6092(12) 0.2226(8) 0.8988(7) 0.057(3) Uani 1 1 d . . .
C24 C 0.8099(11) 0.2974(9) 0.8399(7) 0.057(3) Uani 1 1 d . . .
C31 C 0.9446(10) -0.1176(8) 0.9574(6) 0.047(3) Uani 1 1 d . . .
C32 C 0.7973(11) -0.2064(9) 1.0649(8) 0.063(3) Uani 1 1 d . . .
C33 C 0.6411(12) -0.2282(8) 0.9153(7) 0.058(3) Uani 1 1 d . . .
C34 C 0.8656(10) -0.2992(8) 0.9178(7) 0.054(3) Uani 1 1 d . . .
C35 C 0.7823(10) 0.2021(7) 0.6170(7) 0.046(3) Uani 1 1 d . . .
C36 C 0.7327(12) 0.2246(9) 0.5341(8) 0.069(4) Uani 1 1 d . . .
H36 H 0.6603 0.2029 0.5179 0.083 Uiso 1 1 calc R . .
C37 C 0.7857(15) 0.2777(10) 0.4743(8) 0.081(5) Uani 1 1 d . . .
H37 H 0.7496 0.2926 0.4187 0.098 Uiso 1 1 calc R . .
C38 C 0.8936(14) 0.3087(10) 0.4981(10) 0.082(5) Uani 1 1 d . . .
H38 H 0.9303 0.3455 0.4585 0.099 Uiso 1 1 calc R . .
C39 C 0.9484(13) 0.2854(10) 0.5813(10) 0.079(4) Uani 1 1 d . . .
H39 H 1.0220 0.3045 0.5969 0.095 Uiso 1 1 calc R . .
C40 C 0.8903(10) 0.2336(8) 0.6393(8) 0.056(3) Uani 1 1 d . . .
H40 H 0.9250 0.2193 0.6954 0.067 Uiso 1 1 calc R . .
C41 C 0.5288(10) 0.2125(8) 0.6891(7) 0.050(3) Uani 1 1 d . . .
C42 C 0.4232(10) 0.1767(9) 0.6852(8) 0.060(3) Uani 1 1 d . . .
H42 H 0.4124 0.1115 0.6851 0.072 Uiso 1 1 calc R . .
C43 C 0.3319(12) 0.2363(11) 0.6815(10) 0.081(4) Uani 1 1 d . . .
H43 H 0.2598 0.2114 0.6806 0.098 Uiso 1 1 calc R . .
C44 C 0.3470(12) 0.3316(11) 0.6791(9) 0.082(4) Uani 1 1 d . . .
H44 H 0.2846 0.3712 0.6765 0.098 Uiso 1 1 calc R . .
C45 C 0.4522(13) 0.3707(9) 0.6806(8) 0.070(4) Uani 1 1 d . . .
H45 H 0.4618 0.4359 0.6781 0.084 Uiso 1 1 calc R . .
C46 C 0.5432(11) 0.3105(9) 0.6861(8) 0.060(3) Uani 1 1 d . . .
H46 H 0.6153 0.3355 0.6877 0.072 Uiso 1 1 calc R . .
C47 C 0.5252(9) 0.0011(8) 0.9818(8) 0.050(3) Uani 1 1 d . . .
C48 C 0.4515(11) 0.0365(9) 0.9152(10) 0.071(4) Uani 1 1 d . . .
H48 H 0.4794 0.0611 0.8643 0.085 Uiso 1 1 calc R . .
C49 C 0.3371(13) 0.0369(13) 0.9212(14) 0.106(6) Uani 1 1 d . . .
H49 H 0.2879 0.0588 0.8744 0.127 Uiso 1 1 calc R . .
C50 C 0.2982(14) 0.0043(14) 0.9979(18) 0.134(11) Uani 1 1 d . . .
H50 H 0.2215 0.0040 1.0044 0.161 Uiso 1 1 calc R . .
C51 C 0.3709(15) -0.0270(12) 1.0636(15) 0.114(7) Uani 1 1 d . . .
H51 H 0.3431 -0.0459 1.1166 0.137 Uiso 1 1 calc R . .
C52 C 0.4840(11) -0.0330(9) 1.0574(9) 0.072(4) Uani 1 1 d . . .
H52 H 0.5314 -0.0594 1.1032 0.087 Uiso 1 1 calc R . .
C53 C 0.7576(10) 0.0348(7) 1.1157(7) 0.051(3) Uani 1 1 d . . .
C54 C 0.6871(12) 0.0883(8) 1.1639(7) 0.066(3) Uani 1 1 d . . .
H54 H 0.6175 0.1079 1.1380 0.079 Uiso 1 1 calc R . .
C55 C 0.7223(16) 0.1125(12) 1.2525(9) 0.088(5) Uani 1 1 d . . .
H55 H 0.6745 0.1462 1.2864 0.106 Uiso 1 1 calc R . .
C56 C 0.8254(16) 0.0870(12) 1.2887(9) 0.091(5) Uani 1 1 d . . .
H56 H 0.8495 0.1061 1.3464 0.109 Uiso 1 1 calc R . .
C57 C 0.8942(15) 0.0337(12) 1.2415(10) 0.097(5) Uani 1 1 d . . .
H57 H 0.9633 0.0136 1.2681 0.116 Uiso 1 1 calc R . .
C58 C 0.8621(11) 0.0096(10) 1.1554(8) 0.067(3) Uani 1 1 d . . .
H58 H 0.9112 -0.0243 1.1227 0.081 Uiso 1 1 calc R . .
C59 C 0.9630(8) -0.0965(7) 0.7243(6) 0.041(2) Uani 1 1 d . . .
C60 C 1.0567(9) -0.1497(8) 0.7525(6) 0.050(3) Uani 1 1 d . . .
H60 H 1.0471 -0.2078 0.7797 0.060 Uiso 1 1 calc R . .
C61 C 1.1639(10) -0.1187(9) 0.7411(7) 0.060(3) Uani 1 1 d . . .
H61 H 1.2257 -0.1556 0.7603 0.072 Uiso 1 1 calc R . .
C62 C 1.1782(10) -0.0330(10) 0.7014(8) 0.064(3) Uani 1 1 d . . .
H62 H 1.2505 -0.0116 0.6945 0.077 Uiso 1 1 calc R . .
C63 C 1.0898(10) 0.0207(9) 0.6722(7) 0.059(3) Uani 1 1 d . . .
H63 H 1.1007 0.0782 0.6441 0.071 Uiso 1 1 calc R . .
C64 C 0.9813(10) -0.0105(8) 0.6843(7) 0.053(3) Uani 1 1 d . . .
H64 H 0.9202 0.0273 0.6652 0.064 Uiso 1 1 calc R . .
C65 C 0.8047(10) -0.2893(7) 0.6891(7) 0.046(3) Uani 1 1 d . . .
C66 C 0.7423(13) -0.3639(10) 0.7156(9) 0.084(4) Uani 1 1 d . . .
H66 H 0.6976 -0.3561 0.7626 0.100 Uiso 1 1 calc R . .
C67 C 0.7451(16) -0.4505(9) 0.6731(13) 0.102(6) Uani 1 1 d . . .
H67 H 0.7028 -0.5010 0.6913 0.122 Uiso 1 1 calc R . .
C68 C 0.8101(18) -0.4607(12) 0.6047(15) 0.118(9) Uani 1 1 d . . .
H68 H 0.8097 -0.5180 0.5743 0.142 Uiso 1 1 calc R . .
C69 C 0.8729(16) -0.3923(15) 0.5806(13) 0.119(7) Uani 1 1 d . . .
H69 H 0.9181 -0.4020 0.5342 0.142 Uiso 1 1 calc R . .
C70 C 0.8742(13) -0.3054(9) 0.6223(9) 0.078(4) Uani 1 1 d . . .
H70 H 0.9217 -0.2578 0.6055 0.094 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
_geom_angle_publ_flag
C12 Re1 C14 91.2(5) . . ?
C12 Re1 C13 91.4(6) . . ?
C14 Re1 C13 88.7(5) . . ?
C12 Re1 C11 90.9(6) . . ?
C14 Re1 C11 88.6(5) . . ?
C13 Re1 C11 176.5(5) . . ?
C12 Re1 Bi3 178.8(4) . . ?
C14 Re1 Bi3 89.8(3) . . ?
C13 Re1 Bi3 88.1(3) . . ?
C11 Re1 Bi3 89.6(4) . . ?
C12 Re1 Bi1 89.3(4) . . ?
C14 Re1 Bi1 179.1(4) . . ?
C13 Re1 Bi1 92.0(4) . . ?
C11 Re1 Bi1 90.6(4) . . ?
Bi3 Re1 Bi1 89.704(16) . . ?
C24 Re2 C22 90.3(5) . . ?
C24 Re2 C21 89.8(5) . . ?
C22 Re2 C21 90.5(5) . . ?
C24 Re2 C23 93.0(5) . . ?
C22 Re2 C23 90.3(5) . . ?
C21 Re2 C23 177.1(5) . . ?
C24 Re2 Bi2 175.9(4) . . ?
C22 Re2 Bi2 85.8(3) . . ?
C21 Re2 Bi2 88.7(3) . . ?
C23 Re2 Bi2 88.6(3) . . ?
C24 Re2 Bi1 89.4(3) . . ?
C22 Re2 Bi1 175.7(4) . . ?
C21 Re2 Bi1 93.8(3) . . ?
C23 Re2 Bi1 85.3(3) . . ?
Bi2 Re2 Bi1 94.531(16) . . ?
C34 Re3 C32 91.0(5) . . ?
C34 Re3 C33 94.4(5) . . ?
C32 Re3 C33 91.8(5) . . ?
C34 Re3 C31 90.7(5) . . ?
C32 Re3 C31 90.9(5) . . ?
C33 Re3 C31 174.2(5) . . ?
C34 Re3 Bi2 175.2(4) . . ?
C32 Re3 Bi2 89.4(4) . . ?
C33 Re3 Bi2 90.4(3) . . ?
C31 Re3 Bi2 84.5(3) . . ?
C34 Re3 Bi3 87.2(3) . . ?
C32 Re3 Bi3 178.0(4) . . ?
C33 Re3 Bi3 87.2(3) . . ?
C31 Re3 Bi3 90.2(3) . . ?
Bi2 Re3 Bi3 92.371(15) . . ?
C35 Bi1 C41 94.4(4) . . ?
C35 Bi1 Re1 105.9(3) . . ?
C41 Bi1 Re1 107.3(3) . . ?
C35 Bi1 Re2 106.4(3) . . ?
C41 Bi1 Re2 100.7(3) . . ?
Re1 Bi1 Re2 134.895(18) . . ?
C47 Bi2 C53 95.2(4) . . ?
C47 Bi2 Re3 111.2(3) . . ?
C53 Bi2 Re3 105.7(3) . . ?
C47 Bi2 Re2 108.9(3) . . ?
C53 Bi2 Re2 102.3(3) . . ?
Re3 Bi2 Re2 127.911(17) . . ?
C59 Bi3 C65 96.6(4) . . ?
C59 Bi3 Re1 108.4(2) . . ?
C65 Bi3 Re1 101.1(3) . . ?
C59 Bi3 Re3 107.4(2) . . ?
C65 Bi3 Re3 105.7(3) . . ?
Re1 Bi3 Re3 131.792(18) . . ?
O11 C11 Re1 176.8(12) . . ?
O12 C12 Re1 175.3(12) . . ?
O13 C13 Re1 173.8(12) . . ?
O14 C14 Re1 177.6(13) . . ?
O21 C21 Re2 175.9(11) . . ?
O22 C22 Re2 176.5(12) . . ?
O23 C23 Re2 177.7(11) . . ?
O24 C24 Re2 177.3(12) . . ?
O31 C31 Re3 178.3(9) . . ?
O32 C32 Re3 175.6(12) . . ?
O33 C33 Re3 178.9(11) . . ?
O34 C34 Re3 176.8(11) . . ?
C36 C35 C40 117.8(10) . . ?
C36 C35 Bi1 119.3(9) . . ?
C40 C35 Bi1 122.9(8) . . ?
C35 C36 C37 122.6(14) . . ?
C36 C37 C38 118.6(13) . . ?
C37 C38 C39 120.7(12) . . ?
C40 C39 C38 118.1(14) . . ?
C35 C40 C39 122.2(12) . . ?
C42 C41 C46 119.0(11) . . ?
C42 C41 Bi1 122.5(9) . . ?
C46 C41 Bi1 118.3(9) . . ?
C41 C42 C43 120.4(13) . . ?
C44 C43 C42 120.1(13) . . ?
C43 C44 C45 121.4(13) . . ?
C46 C45 C44 118.1(12) . . ?
C45 C46 C41 121.0(12) . . ?
C52 C47 C48 118.8(12) . . ?
C52 C47 Bi2 120.4(9) . . ?
C48 C47 Bi2 120.7(9) . . ?
C47 C48 C49 122.1(15) . . ?
C50 C49 C48 118.0(17) . . ?
C51 C50 C49 119.4(16) . . ?
C50 C51 C52 123.7(19) . . ?
C47 C52 C51 117.8(16) . . ?
C54 C53 C58 118.9(11) . . ?
C54 C53 Bi2 120.0(9) . . ?
C58 C53 Bi2 120.6(8) . . ?
C53 C54 C55 119.0(14) . . ?
C56 C55 C54 120.3(14) . . ?
C55 C56 C57 120.5(14) . . ?
C56 C57 C58 120.2(16) . . ?
C57 C58 C53 120.9(13) . . ?
C64 C59 C60 117.2(10) . . ?
C64 C59 Bi3 122.7(8) . . ?
C60 C59 Bi3 120.0(8) . . ?
C61 C60 C59 121.7(11) . . ?
C62 C61 C60 119.3(12) . . ?
C63 C62 C61 121.2(12) . . ?
C62 C63 C64 119.4(12) . . ?
C59 C64 C63 121.3(12) . . ?
C66 C65 C70 117.6(11) . . ?
C66 C65 Bi3 121.0(9) . . ?
C70 C65 Bi3 121.4(9) . . ?
C65 C66 C67 120.7(15) . . ?
C68 C67 C66 119.1(16) . . ?
C69 C68 C67 121.3(15) . . ?
C68 C69 C70 121.4(19) . . ?
C65 C70 C69 119.7(16) . . ?
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
Re1 C12 1.899(14) . ?
Re1 C14 1.917(14) . ?
Re1 C13 1.943(15) . ?
Re1 C11 1.984(15) . ?
Re1 Bi3 2.8391(5) . ?
Re1 Bi1 2.8554(6) . ?
Re2 C24 1.916(13) . ?
Re2 C22 1.921(12) . ?
Re2 C21 1.968(15) . ?
Re2 C23 1.993(15) . ?
Re2 Bi2 2.8559(6) . ?
Re2 Bi1 2.8583(5) . ?
Re3 C34 1.927(12) . ?
Re3 C32 1.938(12) . ?
Re3 C33 1.974(15) . ?
Re3 C31 1.981(13) . ?
Re3 Bi2 2.8499(6) . ?
Re3 Bi3 2.8521(5) . ?
Bi1 C35 2.251(10) . ?
Bi1 C41 2.261(11) . ?
Bi2 C47 2.238(10) . ?
Bi2 C53 2.256(11) . ?
Bi3 C59 2.230(10) . ?
Bi3 C65 2.236(10) . ?
O11 C11 1.139(15) . ?
O12 C12 1.166(15) . ?
O13 C13 1.148(15) . ?
O14 C14 1.148(14) . ?
O21 C21 1.138(14) . ?
O22 C22 1.129(13) . ?
O23 C23 1.141(14) . ?
O24 C24 1.140(13) . ?
O31 C31 1.132(13) . ?
O32 C32 1.126(12) . ?
O33 C33 1.131(15) . ?
O34 C34 1.144(13) . ?
C35 C36 1.370(15) . ?
C35 C40 1.379(16) . ?
C36 C37 1.370(17) . ?
C37 C38 1.38(2) . ?
C38 C39 1.400(19) . ?
C39 C40 1.373(16) . ?
C41 C42 1.357(15) . ?
C41 C46 1.397(15) . ?
C42 C43 1.375(17) . ?
C43 C44 1.36(2) . ?
C44 C45 1.372(19) . ?
C45 C46 1.378(17) . ?
C47 C52 1.368(15) . ?
C47 C48 1.370(17) . ?
C48 C49 1.378(19) . ?
C49 C50 1.36(3) . ?
C50 C51 1.33(3) . ?
C51 C52 1.37(2) . ?
C53 C54 1.384(15) . ?
C53 C58 1.382(16) . ?
C54 C55 1.404(17) . ?
C55 C56 1.35(2) . ?
C56 C57 1.36(2) . ?
C57 C58 1.362(18) . ?
C59 C64 1.381(14) . ?
C59 C60 1.384(14) . ?
C60 C61 1.379(15) . ?
C61 C62 1.367(17) . ?
C62 C63 1.343(17) . ?
C63 C64 1.397(15) . ?
C65 C66 1.370(17) . ?
C65 C70 1.378(16) . ?
C66 C67 1.383(19) . ?
C67 C68 1.35(2) . ?
C68 C69 1.30(3) . ?
C69 C70 1.38(2) . ?
