#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:37:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179799 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/95/7009570.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_7009570
loop_
_publ_author_name
'Ellis, Dianne D.'
'Jelliss, Paul A.'
'Stone, F. Gordon A.'
_publ_section_title
;
 Synthesis of rhenium--platinum complexes bearing carbaborane ligands
 and their unusual dynamic behavior †
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2113
_journal_paper_doi               10.1039/b002043p
_journal_year                    2000
_chemical_formula_sum            'C32 H37 B10 Cl2 F4 O3 P2 Pt Re'
_chemical_formula_weight         1167.85
_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           SHELXL
_cell_angle_alpha                110.42(2)
_cell_angle_beta                 106.75(2)
_cell_angle_gamma                92.59(2)
_cell_formula_units_Z            2
_cell_length_a                   12.122(3)
_cell_length_b                   13.084(2)
_cell_length_c                   15.155(3)
_cell_measurement_temperature    292(2)
_cell_volume                     2128.4(9)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      292(2)
_diffrn_measurement_device       'Siemens SMART CCD Area Detector'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0609
_diffrn_reflns_av_sigmaI/netI    0.1891
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            8730
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    6.374
_exptl_absorpt_correction_type   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_description       prism
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.047
_refine_diff_density_min         -1.781
_refine_diff_density_rms         0.204
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.780
_refine_ls_goodness_of_fit_obs   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     476
_refine_ls_number_reflns         6814
_refine_ls_number_restraints     282
_refine_ls_restrained_S_all      0.803
_refine_ls_restrained_S_obs      1.021
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_obs          0.0650
_refine_ls_shift/esd_max         0.489
_refine_ls_shift/esd_mean        0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0432P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1455
_refine_ls_wR_factor_obs         0.1311
_reflns_number_observed          3467
_reflns_number_total             6816
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b002043p.txt
_cod_data_source_block           2b
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0432P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0432P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2128.5(8)
_cod_database_code               7009570
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt Pt 0.72151(5) 0.71408(5) 0.74091(5) 0.0405(2) Uani 1 d . .
Re Re 0.63840(6) 0.84517(6) 0.63105(6) 0.0420(2) Uani 1 d . .
P1 P 0.8226(4) 0.6102(3) 0.8160(3) 0.0430(12) Uani 1 d . .
P2 P 0.5860(4) 0.6820(4) 0.8087(4) 0.0483(12) Uani 1 d . .
C1 C 0.7277(18) 0.8803(15) 0.5234(14) 0.072(6) Uani 1 d U .
H1 H 0.6541(18) 0.8797(15) 0.4604(14) 0.109 Uiso 1 calc R .
C2 C 0.7719(13) 0.9836(13) 0.6369(14) 0.055(5) Uani 1 d U .
H2 H 0.7274(13) 1.0561(13) 0.6525(14) 0.082 Uiso 1 calc R .
B3 B 0.8261(14) 0.9407(14) 0.7308(13) 0.034(4) Uiso 1 d . .
H3 H 0.8252(14) 0.9799(14) 0.8076(13) 0.051 Uiso 1 calc R .
B4 B 0.8185(18) 0.7913(15) 0.6602(15) 0.055(6) Uani 1 d U .
H4 H 0.8590 0.7245 0.7168 0.082 Uiso 1 d . .
B5 B 0.7499(16) 0.7627(16) 0.5318(14) 0.045(5) Uiso 1 d . .
H5 H 0.6972(16) 0.6829(16) 0.4779(14) 0.068 Uiso 1 calc R .
B6 B 0.9020(17) 0.7765(19) 0.5833(15) 0.055(6) Uani 1 d U .
H6 H 0.9469(17) 0.7045(19) 0.5657(15) 0.082 Uiso 1 calc R .
B7 B 0.8387(18) 0.8349(17) 0.4934(16) 0.054(6) Uani 1 d U .
H7 H 0.8409(18) 0.8040(17) 0.4166(16) 0.081 Uiso 1 calc R .
B8 B 0.8524(18) 0.9771(18) 0.5619(18) 0.066(7) Uani 1 d U .
H8 H 0.8621(18) 1.0399(18) 0.5307(18) 0.100 Uiso 1 calc R .
B9 B 0.9165(18) 1.0060(18) 0.6847(16) 0.063(6) Uani 1 d U .
H9 H 0.9700(18) 1.0872(18) 0.7336(16) 0.094 Uiso 1 calc R .
B10 B 0.9526(16) 0.8812(18) 0.7000(16) 0.055(6) Uani 1 d U .
H10 H 1.0298(16) 0.8785(18) 0.7585(16) 0.082 Uiso 1 calc R .
B11 B 0.9668(20) 0.9083(19) 0.5982(16) 0.069(7) Uani 1 d U .
H11 H 1.0528(20) 0.9229(19) 0.5901(16) 0.104 Uiso 1 calc R .
C3 C 0.5391(25) 0.7038(21) 0.5580(13) 0.125(12) Uani 1 d U .
O3 O 0.4801(11) 0.6177(11) 0.5149(12) 0.087(5) Uani 1 d U .
C4 C 0.6053(20) 0.9003(17) 0.7270(22) 0.099(9) Uani 1 d U .
O4 O 0.5811(12) 0.9564(11) 0.8158(13) 0.087(5) Uani 1 d U .
C5 C 0.4976(16) 0.8990(15) 0.5731(13) 0.058(5) Uiso 1 d . .
O5 O 0.4182(11) 0.9255(12) 0.5347(12) 0.103(6) Uani 1 d U .
C6 C 0.7367(16) 0.5569(14) 0.8769(13) 0.062(5) Uani 1 d U .
H6A H 0.7527(16) 0.4839(14) 0.8736(13) 0.075 Uiso 1 calc R .
H6B H 0.7576(16) 0.6053(14) 0.9464(13) 0.075 Uiso 1 calc R .
C7 C 0.6094(13) 0.5513(12) 0.8246(13) 0.048(4) Uani 1 d U .
H7A H 0.5634(13) 0.5379(12) 0.8635(13) 0.057 Uiso 1 calc R .
H7B H 0.5845(13) 0.4909(12) 0.7601(13) 0.057 Uiso 1 calc R .
C101 C 0.9621(18) 0.6777(15) 0.9047(13) 0.071(6) Uani 1 d DU .
C102 C 1.0217(18) 0.7714(19) 0.9133(14) 0.152(14) Uani 1 d DU .
H102 H 0.9921(18) 0.8060(19) 0.8693(14) 0.183 Uiso 1 calc R .
C103 C 1.1336(25) 0.8186(24) 0.9923(22) 0.184(17) Uani 1 d DU .
H103 H 1.1726(25) 0.8838(24) 0.9964(22) 0.221 Uiso 1 calc R .
C104 C 1.1806(28) 0.7801(24) 1.0535(19) 0.144(13) Uani 1 d DU .
H104 H 1.2526(28) 0.8131(24) 1.1022(19) 0.173 Uiso 1 calc R .
C105 C 1.1268(25) 0.6960(21) 1.0461(21) 0.186(18) Uani 1 d DU .
H105 H 1.1593(25) 0.6623(21) 1.0902(21) 0.223 Uiso 1 calc R .
C106 C 1.0098(23) 0.6435(23) 0.9689(19) 0.125(10) Uiso 1 d D .
H106 H 0.9714(23) 0.5811(23) 0.9700(19) 0.150 Uiso 1 calc R .
C111 C 0.8564(14) 0.4921(13) 0.7283(12) 0.047(4) Uani 1 d DU .
C112 C 0.9559(21) 0.4983(21) 0.7050(15) 0.139(12) Uani 1 d DU .
H112 H 1.0072(21) 0.5649(21) 0.7346(15) 0.167 Uiso 1 calc R .
C113 C 0.9823(21) 0.4096(22) 0.6394(18) 0.131(11) Uani 1 d DU .
H113 H 1.0503(21) 0.4165(22) 0.6238(18) 0.157 Uiso 1 calc R .
C114 C 0.9119(22) 0.3136(19) 0.5978(17) 0.099(8) Uani 1 d DU .
H114 H 0.9296(22) 0.2516(19) 0.5542(17) 0.118 Uiso 1 calc R .
C115 C 0.8176(23) 0.3096(19) 0.6204(17) 0.126(11) Uani 1 d DU .
H115 H 0.7681(23) 0.2420(19) 0.5926(17) 0.151 Uiso 1 calc R .
C116 C 0.7858(18) 0.3967(21) 0.6817(17) 0.146(13) Uani 1 d DU .
H116 H 0.7138(18) 0.3893(21) 0.6910(17) 0.175 Uiso 1 calc R .
C121 C 0.6175(16) 0.7803(14) 0.9338(13) 0.060(5) Uani 1 d DU .
C122 C 0.7168(16) 0.8579(14) 0.9803(14) 0.078(6) Uani 1 d DU .
H122 H 0.7664(16) 0.8626(14) 0.9446(14) 0.094 Uiso 1 calc R .
C123 C 0.7459(19) 0.9302(16) 1.0794(18) 0.096(8) Uani 1 d DU .
H123 H 0.8133(19) 0.9829(16) 1.1100(18) 0.116 Uiso 1 calc R .
C124 C 0.6699(25) 0.9202(20) 1.1305(16) 0.105(9) Uani 1 d DU .
H124 H 0.6878(25) 0.9664(20) 1.1970(16) 0.126 Uiso 1 calc R .
C125 C 0.5674(24) 0.8427(21) 1.0845(20) 0.096(8) Uani 1 d DU .
H125 H 0.5166(24) 0.8391(21) 1.1195(20) 0.116 Uiso 1 calc R .
C126 C 0.5426(18) 0.7733(16) 0.9893(16) 0.074(6) Uani 1 d DU .
H126 H 0.4757(18) 0.7201(16) 0.9593(16) 0.089 Uiso 1 calc R .
C131 C 0.4303(14) 0.6684(15) 0.7446(13) 0.059(5) Uani 1 d DU .
C132 C 0.3676(17) 0.7551(16) 0.7670(14) 0.081(7) Uani 1 d DU .
H132 H 0.4038(17) 0.8229(16) 0.8177(14) 0.097 Uiso 1 calc R .
C133 C 0.2510(18) 0.7386(20) 0.7126(17) 0.099(8) Uani 1 d DU .
H133 H 0.2080(18) 0.7957(20) 0.7270(17) 0.119 Uiso 1 calc R .
C134 C 0.1979(17) 0.6390(22) 0.6375(19) 0.101(8) Uani 1 d DU .
H134 H 0.1199(17) 0.6289(22) 0.5994(19) 0.122 Uiso 1 calc R .
C135 C 0.2614(19) 0.5540(19) 0.6190(17) 0.111(9) Uani 1 d DU .
H135 H 0.2237(19) 0.4847(19) 0.5718(17) 0.133 Uiso 1 calc R .
C136 C 0.3725(16) 0.5679(16) 0.6656(15) 0.094(8) Uani 1 d DU .
H136 H 0.4144(16) 0.5109(16) 0.6466(15) 0.113 Uiso 1 calc R .
B100 B 0.4575(26) 0.7697(30) 0.2794(24) 0.087(10) Uani 1 d U .
F1 F 0.3791(21) 0.8246(21) 0.2877(18) 0.243(13) Uani 1 d U .
F2 F 0.5613(16) 0.8316(14) 0.2982(11) 0.182(9) Uani 1 d U .
F3 F 0.4843(13) 0.7189(13) 0.3431(11) 0.145(6) Uani 1 d U .
F4 F 0.4195(13) 0.6949(11) 0.1855(11) 0.129(5) Uani 1 d U .
C200 C 0.7157(29) 0.6248(29) 1.1816(24) 0.178(14) Uani 1 d U .
H20A H 0.7388(29) 0.6131(29) 1.2438(24) 0.214 Uiso 1 calc R .
H20B H 0.6524(29) 0.6675(29) 1.1816(24) 0.214 Uiso 1 calc R .
Cl1 Cl 0.8296(9) 0.6975(8) 1.1757(7) 0.187(4) Uani 1 d . .
Cl2 Cl 0.6684(11) 0.5037(9) 1.0883(9) 0.251(6) Uani 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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
P1 Pt P2 84.6(2) . . ?
P1 Pt B4 115.2(6) . . ?
P2 Pt B4 159.8(5) . . ?
P1 Pt Re 166.95(11) . . ?
P2 Pt Re 108.42(12) . . ?
B4 Pt Re 51.9(5) . . ?
C4 Re C3 106.7(10) . . ?
C4 Re C5 81.3(9) . . ?
C3 Re C5 82.8(7) . . ?
C4 Re B4 113.9(9) . . ?
C3 Re B4 100.5(7) . . ?
C5 Re B4 162.2(7) . . ?
C4 Re B5 159.0(9) . . ?
C3 Re B5 82.2(9) . . ?
C5 Re B5 119.2(7) . . ?
B4 Re B5 45.1(6) . . ?
C4 Re C2 103.4(8) . . ?
C3 Re C2 149.3(9) . . ?
C5 Re C2 96.1(6) . . ?
B4 Re C2 72.1(6) . . ?
B5 Re C2 71.6(7) . . ?
C4 Re B3 84.6(9) . . ?
C3 Re B3 146.7(7) . . ?
C5 Re B3 130.4(7) . . ?
B4 Re B3 47.2(6) . . ?
B5 Re B3 78.2(6) . . ?
C2 Re B3 42.2(6) . . ?
C4 Re C1 144.0(8) . . ?
C3 Re C1 107.1(9) . . ?
C5 Re C1 91.0(7) . . ?
B4 Re C1 71.3(7) . . ?
B5 Re C1 40.3(6) . . ?
C2 Re C1 42.2(6) . . ?
B3 Re C1 73.9(6) . . ?
C4 Re Pt 77.7(7) . . ?
C3 Re Pt 74.8(5) . . ?
C5 Re Pt 143.1(5) . . ?
B4 Re Pt 53.4(4) . . ?
B5 Re Pt 86.7(4) . . ?
C2 Re Pt 118.1(4) . . ?
B3 Re Pt 77.4(4) . . ?
C1 Re Pt 123.3(5) . . ?
C101 P1 C111 103.2(8) . . ?
C101 P1 C6 108.7(8) . . ?
C111 P1 C6 107.1(8) . . ?
C101 P1 Pt 115.3(6) . . ?
C111 P1 Pt 111.9(5) . . ?
C6 P1 Pt 110.2(6) . . ?
C121 P2 C131 107.5(8) . . ?
C121 P2 C7 103.7(8) . . ?
C131 P2 C7 106.7(8) . . ?
C121 P2 Pt 111.4(6) . . ?
C131 P2 Pt 121.3(5) . . ?
C7 P2 Pt 104.7(5) . . ?
B7 C1 B5 65.4(12) . . ?
B7 C1 C2 110.5(15) . . ?
B5 C1 C2 111.2(14) . . ?
B7 C1 B8 63.1(12) . . ?
B5 C1 B8 115.7(15) . . ?
C2 C1 B8 58.7(11) . . ?
B7 C1 Re 129.9(12) . . ?
B5 C1 Re 69.0(9) . . ?
C2 C1 Re 68.3(8) . . ?
B8 C1 Re 124.6(13) . . ?
B9 C2 B3 64.7(11) . . ?
B9 C2 B8 60.8(12) . . ?
B3 C2 B8 116.6(13) . . ?
B9 C2 C1 110.2(15) . . ?
B3 C2 C1 113.5(12) . . ?
B8 C2 C1 62.2(12) . . ?
B9 C2 Re 128.6(11) . . ?
B3 C2 Re 69.0(7) . . ?
B8 C2 Re 129.1(12) . . ?
C1 C2 Re 69.5(8) . . ?
C2 B3 B9 57.1(10) . . ?
C2 B3 B10 101.0(12) . . ?
B9 B3 B10 58.6(11) . . ?
C2 B3 B4 100.6(12) . . ?
B9 B3 B4 103.3(12) . . ?
B10 B3 B4 57.2(10) . . ?
C2 B3 Re 68.8(7) . . ?
B9 B3 Re 121.6(11) . . ?
B10 B3 Re 118.3(10) . . ?
B4 B3 Re 65.1(8) . . ?
B6 B4 B10 59.2(11) . . ?
B6 B4 B5 60.3(11) . . ?
B10 B4 B5 107.7(13) . . ?
B6 B4 B3 108.9(13) . . ?
B10 B4 B3 61.4(10) . . ?
B5 B4 B3 108.4(14) . . ?
B6 B4 Re 124.5(13) . . ?
B10 B4 Re 124.4(12) . . ?
B5 B4 Re 68.5(10) . . ?
B3 B4 Re 67.7(8) . . ?
B6 B4 Pt 149.3(13) . . ?
B10 B4 Pt 133.8(13) . . ?
B5 B4 Pt 118.4(11) . . ?
B3 B4 Pt 100.5(9) . . ?
Re B4 Pt 74.7(5) . . ?
C1 B5 B7 57.3(11) . . ?
C1 B5 B6 104.8(14) . . ?
B7 B5 B6 61.5(11) . . ?
C1 B5 B4 106.1(14) . . ?
B7 B5 B4 108.2(13) . . ?
B6 B5 B4 58.3(10) . . ?
C1 B5 Re 70.7(10) . . ?
B7 B5 Re 124.1(12) . . ?
B6 B5 Re 120.7(12) . . ?
B4 B5 Re 66.3(9) . . ?
B4 B6 B10 62.0(11) . . ?
B4 B6 B5 61.4(11) . . ?
B10 B6 B5 110.8(15) . . ?
B4 B6 B11 109.9(15) . . ?
B10 B6 B11 60.0(12) . . ?
B5 B6 B11 108.8(15) . . ?
B4 B6 B7 108.5(14) . . ?
B10 B6 B7 108.8(16) . . ?
B5 B6 B7 58.9(11) . . ?
B11 B6 B7 60.6(12) . . ?
C1 B7 B5 57.3(11) . . ?
C1 B7 B8 62.0(11) . . ?
B5 B7 B8 108.6(15) . . ?
C1 B7 B6 103.4(14) . . ?
B5 B7 B6 59.6(11) . . ?
B8 B7 B6 105.5(15) . . ?
C1 B7 B11 107.1(16) . . ?
B5 B7 B11 108.2(14) . . ?
B8 B7 B11 58.9(12) . . ?
B6 B7 B11 59.2(11) . . ?
C2 B8 B9 59.0(12) . . ?
C2 B8 C1 59.1(11) . . ?
B9 B8 C1 106.4(15) . . ?
C2 B8 B11 106.0(15) . . ?
B9 B8 B11 61.4(12) . . ?
C1 B8 B11 103.8(14) . . ?
C2 B8 B7 104.3(14) . . ?
B9 B8 B7 110.3(15) . . ?
C1 B8 B7 54.9(11) . . ?
B11 B8 B7 61.7(12) . . ?
C2 B9 B8 60.2(12) . . ?
C2 B9 B11 106.5(15) . . ?
B8 B9 B11 60.9(13) . . ?
C2 B9 B10 104.9(13) . . ?
B8 B9 B10 108.3(16) . . ?
B11 B9 B10 59.3(12) . . ?
C2 B9 B3 58.2(10) . . ?
B8 B9 B3 110.7(14) . . ?
B11 B9 B3 111.4(15) . . ?
B10 B9 B3 62.6(11) . . ?
B6 B10 B11 61.3(12) . . ?
B6 B10 B4 58.8(11) . . ?
B11 B10 B4 108.4(15) . . ?
B6 B10 B9 107.1(15) . . ?
B11 B10 B9 59.6(12) . . ?
B4 B10 B9 106.7(14) . . ?
B6 B10 B3 108.6(13) . . ?
B11 B10 B3 108.6(15) . . ?
B4 B10 B3 61.4(10) . . ?
B9 B10 B3 58.8(10) . . ?
B8 B11 B10 107.2(17) . . ?
B8 B11 B9 57.7(13) . . ?
B10 B11 B9 61.2(13) . . ?
B8 B11 B6 106.6(15) . . ?
B10 B11 B6 58.8(12) . . ?
B9 B11 B6 106.4(15) . . ?
B8 B11 B7 59.4(12) . . ?
B10 B11 B7 107.4(15) . . ?
B9 B11 B7 105.5(16) . . ?
B6 B11 B7 60.1(11) . . ?
O3 C3 Re 179.0(16) . . ?
O4 C4 Re 176.1(16) . . ?
O5 C5 Re 175.7(19) . . ?
C7 C6 P1 108.6(11) . . ?
C6 C7 P2 109.4(11) . . ?
C106 C101 C102 113.1(25) . . ?
C106 C101 P1 120.9(21) . . ?
C102 C101 P1 125.9(15) . . ?
C101 C102 C103 119.2(22) . . ?
C104 C103 C102 125.8(30) . . ?
C105 C104 C103 115.0(34) . . ?
C104 C105 C106 122.7(29) . . ?
C101 C106 C105 124.0(29) . . ?
C116 C111 C112 116.2(20) . . ?
C116 C111 P1 122.5(16) . . ?
C112 C111 P1 121.2(15) . . ?
C113 C112 C111 121.6(25) . . ?
C114 C113 C112 120.4(28) . . ?
C115 C114 C113 117.1(25) . . ?
C114 C115 C116 124.4(24) . . ?
C111 C116 C115 120.2(23) . . ?
C122 C121 C126 118.5(18) . . ?
C122 C121 P2 121.6(16) . . ?
C126 C121 P2 119.8(15) . . ?
C121 C122 C123 122.2(20) . . ?
C124 C123 C122 117.2(21) . . ?
C125 C124 C123 121.7(22) . . ?
C126 C125 C124 119.6(24) . . ?
C125 C126 C121 120.8(21) . . ?
C132 C131 C136 118.6(17) . . ?
C132 C131 P2 122.7(15) . . ?
C136 C131 P2 118.6(15) . . ?
C133 C132 C131 118.8(19) . . ?
C134 C133 C132 120.6(20) . . ?
C133 C134 C135 119.1(20) . . ?
C136 C135 C134 121.9(22) . . ?
C135 C136 C131 120.7(21) . . ?
F1 B100 F3 114.0(30) . . ?
F1 B100 F4 105.7(25) . . ?
F3 B100 F4 110.0(28) . . ?
F1 B100 F2 113.2(32) . . ?
F3 B100 F2 103.2(21) . . ?
F4 B100 F2 110.8(26) . . ?
Cl2 C200 Cl1 112.9(18) . . ?
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
Pt P1 2.252(4) . ?
Pt P2 2.268(4) . ?
Pt B4 2.34(2) . ?
Pt Re 2.8126(10) . ?
Re C4 1.56(3) . ?
Re C3 1.92(3) . ?
Re C5 1.96(2) . ?
Re B4 2.29(2) . ?
Re B5 2.33(2) . ?
Re C2 2.335(13) . ?
Re B3 2.34(2) . ?
Re C1 2.35(2) . ?
P1 C101 1.78(2) . ?
P1 C111 1.81(2) . ?
P1 C6 1.83(2) . ?
P2 C121 1.80(2) . ?
P2 C131 1.82(2) . ?
P2 C7 1.832(14) . ?
C1 B7 1.61(3) . ?
C1 B5 1.61(2) . ?
C1 C2 1.69(2) . ?
C1 B8 1.74(3) . ?
C2 B9 1.66(2) . ?
C2 B3 1.68(2) . ?
C2 B8 1.68(3) . ?
B3 B9 1.79(2) . ?
B3 B10 1.86(3) . ?
B3 B4 1.86(2) . ?
B4 B6 1.72(2) . ?
B4 B10 1.78(3) . ?
B4 B5 1.77(3) . ?
B5 B7 1.74(3) . ?
B5 B6 1.76(3) . ?
B6 B10 1.73(3) . ?
B6 B11 1.77(3) . ?
B6 B7 1.79(3) . ?
B7 B8 1.76(3) . ?
B7 B11 1.80(3) . ?
B8 B9 1.69(3) . ?
B8 B11 1.75(3) . ?
B9 B11 1.76(3) . ?
B9 B10 1.78(3) . ?
B10 B11 1.75(3) . ?
C3 O3 1.16(3) . ?
C4 O4 1.41(3) . ?
C5 O5 1.11(2) . ?
C6 C7 1.50(2) . ?
C101 C106 1.22(3) . ?
C101 C102 1.34(3) . ?
C102 C103 1.46(3) . ?
C103 C104 1.22(3) . ?
C104 C105 1.21(3) . ?
C105 C106 1.50(3) . ?
C111 C116 1.31(2) . ?
C111 C112 1.36(3) . ?
C112 C113 1.36(3) . ?
C113 C114 1.32(3) . ?
C114 C115 1.29(3) . ?
C115 C116 1.35(3) . ?
C121 C122 1.37(2) . ?
C121 C126 1.42(2) . ?
C122 C123 1.40(3) . ?
C123 C124 1.39(3) . ?
C124 C125 1.40(3) . ?
C125 C126 1.34(3) . ?
C131 C132 1.39(2) . ?
C131 C136 1.41(2) . ?
C132 C133 1.38(2) . ?
C133 C134 1.37(3) . ?
C134 C135 1.38(3) . ?
C135 C136 1.30(2) . ?
B100 F1 1.23(4) . ?
B100 F3 1.33(3) . ?
B100 F4 1.34(3) . ?
B100 F2 1.37(3) . ?
C200 Cl2 1.65(3) . ?
C200 Cl1 1.68(3) . ?
