#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/20/2012096.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2012096
loop_
_publ_author_name
'Haupt, Hans-Jürgen'
'Flörke, Ulrich'
'Klose, Stefanie'
_publ_section_title
;
 A pseudo-trigonal bipyramidally coordinated Pt atom in
 dicarbonylbis(octacarbonyl-μ-dicyclohexylphosphidodirhenio)platinum(II)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              810
_journal_page_last               811
_journal_paper_doi               10.1107/S0108270101007399
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[PtRe4 (CO)18 (C12 H22 P)2 ]'
_chemical_formula_moiety         'C42 H44 O18 P2 Pt Re4'
_chemical_formula_sum            'C42 H44 O18 P2 Pt Re4'
_chemical_formula_weight         1838.60
_chemical_name_systematic
;
 bis-(octacarbonyl-μ-dicyclohexylphosphido-dirhenium)-
 dicarbonyl-platinum
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.42(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.561(2)
_cell_length_b                   16.728(3)
_cell_length_c                   17.408(6)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      13.228
_cell_measurement_theta_min      7.513
_cell_volume                     4994(2)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1995a)'
_computing_data_reduction        'SHELXTL (Siemens, 1995b)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full .999
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0591
_diffrn_reflns_av_sigmaI/netI    .1662
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10719
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.40
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 397
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.584
_exptl_absorpt_correction_T_max  .532
_exptl_absorpt_correction_T_min  .264
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.445
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3392
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .05
_exptl_crystal_size_min          .04
_refine_diff_density_max         1.332
_refine_diff_density_min         -1.088
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   .974
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         10342
_refine_ls_number_restraints     984
_refine_ls_restrained_S_all      .932
_refine_ls_R_factor_all          .1606
_refine_ls_R_factor_gt           .0592
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0419P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1698
_reflns_number_gt                4254
_reflns_number_total             10342
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            jz1465.cif
_cod_data_source_block           I
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2012096
_cod_database_fobs_code          2012096
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Pt1 -.13666(5) .77198(6) .61435(6) .0344(2) Uani d U 1 . . Pt
Re1 .02254(5) .73598(6) .60120(5) .0306(2) Uani d U 1 . . Re
Re2 -.02303(5) .82922(6) .74965(6) .0302(2) Uani d U 1 . . Re
Re3 -.28918(5) .73284(6) .52740(6) .0304(2) Uani d U 1 . . Re
Re4 -.38559(5) .61900(6) .40553(6) .0322(2) Uani d U 1 . . Re
P1 .1020(3) .7773(4) .7288(3) .0301(12) Uani d U 1 . . P
P2 -.4254(3) .7394(4) .4603(4) .0331(13) Uani d U 1 . . P
O1 .0310(9) .8999(10) .5165(10) .046(4) Uani d U 1 . . O
C1 .0275(12) .8417(13) .5502(13) .031(4) Uani d U 1 . . C
O2 .0119(12) .5667(11) .6715(12) .072(6) Uani d U 1 . . O
C2 .0148(15) .6298(14) .6479(15) .042(5) Uani d U 1 . . C
O3 -.0892(8) .6832(10) .4455(10) .049(5) Uani d U 1 . . O
C3 -.0494(13) .7047(14) .5034(15) .042(5) Uani d U 1 . . C
O4 .1674(9) .6786(11) .5457(11) .056(5) Uani d U 1 . . O
C4 .1154(13) .6997(13) .5659(14) .037(5) Uani d U 1 . . C
O5 -.0407(9) .6729(10) .8449(10) .050(5) Uani d U 1 . . O
C5 -.0331(13) .7258(13) .8079(11) .028(4) Uani d U 1 . . C
O6 -.0033(10) .9914(10) .6649(10) .050(5) Uani d U 1 . . O
C6 -.0099(11) .9306(14) .6953(13) .030(4) Uani d U 1 . . C
O7 .0502(9) .9086(10) .9083(9) .046(4) Uani d U 1 . . O
C7 .0239(12) .8794(12) .8495(13) .028(4) Uani d U 1 . . C
O8 -.1857(8) .8813(11) .7792(11) .050(5) Uani d U 1 . . O
C8 -.1267(12) .8617(13) .7653(13) .032(4) Uani d U 1 . . C
O9 -.1457(10) .9309(11) .5287(11) .058(5) Uani d U 1 . . O
C9 -.1396(12) .8708(14) .5585(14) .035(4) Uani d U 1 . . C
O10 -.1499(10) .6152(12) .7002(11) .063(6) Uani d U 1 . . O
C10 -.1473(14) .6742(16) .6695(13) .041(5) Uani d U 1 . . C
O11 -.2405(9) .8193(10) .3846(10) .049(5) Uani d U 1 . . O
C11 -.2576(12) .7886(16) .4388(14) .041(5) Uani d U 1 . . C
O12 -.1938(10) .5779(11) .5093(12) .062(5) Uani d U 1 . . O
C12 -.2325(11) .6343(14) .5079(16) .042(5) Uani d U 1 . . C
O13 -.3084(9) .8931(10) .6154(11) .049(5) Uani d U 1 . . O
C13 -.2979(13) .8360(13) .5828(14) .035(4) Uani d U 1 . . C
O14 -.3374(9) .6491(9) .6697(9) .039(4) Uani d U 1 . . O
C14 -.3197(12) .6777(12) .6159(13) .030(4) Uani d U 1 . . C
O15 -.2839(10) .4811(11) .3645(11) .057(5) Uani d U 1 . . O
C15 -.3215(13) .5306(13) .3795(15) .037(5) Uani d U 1 . . C
O16 -.3517(11) .7080(10) .2587(11) .058(5) Uani d U 1 . . O
C16 -.3632(12) .6754(13) .3126(13) .030(4) Uani d U 1 . . C
O17 -.4220(9) .5205(10) .5451(10) .044(4) Uani d U 1 . . O
C17 -.4093(12) .5591(14) .4939(13) .033(4) Uani d U 1 . . C
O18 -.5402(9) .5650(12) .3008(11) .056(5) Uani d U 1 . . O
C18 -.4804(14) .5857(15) .3400(14) .042(5) Uani d U 1 . . C
C21 .1876(12) .8453(12) .7341(10) .039(5) Uani d DU 1 . . C
H21 .2344 .8112 .7502 .047 Uiso calc R 1 . . H
C22 .1948(12) .8842(13) .6568(11) .045(5) Uani d DU 1 . . C
H22A .1931 .8429 .6165 .054 Uiso calc R 1 . . H
H22B .1507 .9205 .6389 .054 Uiso calc R 1 . . H
C23 .2709(12) .9307(13) .6670(13) .053(6) Uani d DU 1 . . C
H23A .2743 .9556 .6169 .064 Uiso calc R 1 . . H
H23B .3149 .8938 .6821 .064 Uiso calc R 1 . . H
C24 .2760(13) .9953(11) .7300(11) .044(5) Uani d DU 1 . . C
H24A .3264 1.0226 .7375 .053 Uiso calc R 1 . . H
H24B .2348 1.0350 .7131 .053 Uiso calc R 1 . . H
C25 .2670(12) .9573(13) .8074(11) .047(5) Uani d DU 1 . . C
H25A .3120 .9228 .8273 .056 Uiso calc R 1 . . H
H25B .2665 .9995 .8463 .056 Uiso calc R 1 . . H
C26 .1931(11) .9083(12) .7981(11) .040(5) Uani d DU 1 . . C
H26A .1478 .9439 .7850 .049 Uiso calc R 1 . . H
H26B .1918 .8821 .8481 .049 Uiso calc R 1 . . H
C31 .1413(12) .6920(12) .7931(10) .041(5) Uani d DU 1 . . C
H31 .0967 .6558 .7928 .050 Uiso calc R 1 . . H
C32 .1717(12) .7169(10) .8798(10) .035(4) Uani d DU 1 . . C
H32A .1314 .7476 .8979 .042 Uiso calc R 1 . . H
H32B .2176 .7512 .8839 .042 Uiso calc R 1 . . H
C33 .1935(12) .6424(12) .9329(11) .049(6) Uani d DU 1 . . C
H33A .2144 .6594 .9872 .059 Uiso calc R 1 . . H
H33B .1468 .6102 .9322 .059 Uiso calc R 1 . . H
C34 .2550(11) .5912(12) .9037(11) .044(5) Uani d DU 1 . . C
H34A .3035 .6218 .9088 .053 Uiso calc R 1 . . H
H34B .2665 .5431 .9363 .053 Uiso calc R 1 . . H
C35 .2250(14) .5669(11) .8170(11) .048(6) Uani d DU 1 . . C
H35A .1789 .5328 .8127 .058 Uiso calc R 1 . . H
H35B .2653 .5360 .7991 .058 Uiso calc R 1 . . H
C36 .2037(14) .6411(12) .7639(12) .049(6) Uani d DU 1 . . C
H36A .1833 .6241 .7095 .059 Uiso calc R 1 . . H
H36B .2505 .6734 .7651 .059 Uiso calc R 1 . . H
C41 -.4939(9) .7258(12) .5247(11) .033(4) Uani d DU 1 . . C
H41 -.4698 .6854 .5640 .040 Uiso calc R 1 . . H
C42 -.5750(10) .6907(13) .4839(11) .038(5) Uani d DU 1 . . C
H42A -.6056 .7315 .4504 .045 Uiso calc R 1 . . H
H42B -.5677 .6454 .4505 .045 Uiso calc R 1 . . H
C43 -.6194(12) .6627(13) .5473(13) .050(6) Uani d DU 1 . . C
H43A -.6701 .6406 .5216 .060 Uiso calc R 1 . . H
H43B -.5896 .6204 .5794 .060 Uiso calc R 1 . . H
C44 -.6316(11) .7336(14) .6009(13) .056(6) Uani d DU 1 . . C
H44A -.6572 .7144 .6422 .068 Uiso calc R 1 . . H
H44B -.6654 .7737 .5697 .068 Uiso calc R 1 . . H
C45 -.5520(11) .7721(15) .6390(12) .053(6) Uani d DU 1 . . C
H45A -.5194 .7332 .6733 .063 Uiso calc R 1 . . H
H45B -.5603 .8182 .6710 .063 Uiso calc R 1 . . H
C46 -.5104(12) .7994(12) .5730(12) .044(5) Uani d DU 1 . . C
H46A -.5434 .8376 .5382 .053 Uiso calc R 1 . . H
H46B -.4612 .8261 .5964 .053 Uiso calc R 1 . . H
C51 -.4505(9) .8276(10) .3938(13) .036(4) Uani d DU 1 . . C
H51 -.4180 .8248 .3539 .043 Uiso calc R 1 . . H
C52 -.4345(12) .9088(9) .4360(12) .043(5) Uani d DU 1 . . C
H52A -.4635 .9116 .4782 .051 Uiso calc R 1 . . H
H52B -.3788 .9129 .4602 .051 Uiso calc R 1 . . H
C53 -.4582(12) .9797(11) .3796(13) .050(6) Uani d DU 1 . . C
H53A -.4509 1.0297 .4096 .060 Uiso calc R 1 . . H
H53B -.4243 .9813 .3416 .060 Uiso calc R 1 . . H
C54 -.5435(11) .9733(11) .3352(14) .050(6) Uani d DU 1 . . C
H54A -.5559 1.0173 .2974 .060 Uiso calc R 1 . . H
H54B -.5780 .9773 .3724 .060 Uiso calc R 1 . . H
C55 -.5565(14) .8926(11) .2914(12) .056(6) Uani d DU 1 . . C
H55A -.6110 .8884 .2632 .067 Uiso calc R 1 . . H
H55B -.5235 .8897 .2528 .067 Uiso calc R 1 . . H
C56 -.5368(10) .8230(11) .3498(13) .046(6) Uani d DU 1 . . C
H56A -.5463 .7721 .3215 .055 Uiso calc R 1 . . H
H56B -.5706 .8253 .3879 .055 Uiso calc R 1 . . H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .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'
P P .1023 .0942 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C9 Pt1 C10 172.9(10) y
C9 Pt1 Re3 90.5(7) ?
C10 Pt1 Re3 83.6(7) ?
C9 Pt1 Re2 93.8(7) ?
C10 Pt1 Re2 89.9(7) ?
Re3 Pt1 Re2 155.33(4) y
C9 Pt1 Re1 93.4(6) ?
C10 Pt1 Re1 93.5(7) ?
Re3 Pt1 Re1 135.80(4) y
Re2 Pt1 Re1 68.19(4) y
C4 Re1 Re2 139.4(7) ?
C3 Re1 Re2 126.4(7) y
C2 Re1 Re2 93.1(7) ?
C1 Re1 Re2 88.3(6) ?
P1 Re1 Re2 48.47(13) y
Pt1 Re1 Re2 55.70(3) y
C4 Re1 C3 94.0(10) ?
C4 Re1 C2 89.2(10) ?
C3 Re1 C2 91.7(10) ?
C4 Re1 C1 90.9(9) ?
C3 Re1 C1 86.0(10) ?
C2 Re1 C1 177.7(10) ?
C4 Re1 P1 91.2(7) ?
C3 Re1 P1 174.7(7) ?
C2 Re1 P1 87.5(7) ?
C1 Re1 P1 94.8(6) ?
C4 Re1 Pt1 164.9(7) ?
C3 Re1 Pt1 70.9(7) ?
C2 Re1 Pt1 90.1(7) ?
C1 Re1 Pt1 89.2(6) ?
P1 Re1 Pt1 103.81(14) y
C7 Re2 Re1 141.7(6) ?
C8 Re2 Re1 129.2(7) y
C6 Re2 Re1 87.5(7) ?
C5 Re2 Re1 92.9(5) ?
P1 Re2 Re1 48.34(14) y
Pt1 Re2 Re1 56.11(3) y
C7 Re2 C8 89.1(9) ?
C7 Re2 C6 89.3(9) ?
C8 Re2 C6 92.1(9) ?
C7 Re2 C5 89.2(8) ?
C8 Re2 C5 89.0(9) ?
C6 Re2 C5 178.1(9) ?
C7 Re2 P1 93.7(6) ?
C8 Re2 P1 175.2(7) ?
C6 Re2 P1 91.8(6) ?
C5 Re2 P1 87.1(6) ?
C7 Re2 Pt1 162.2(6) ?
C8 Re2 Pt1 73.1(7) ?
C6 Re2 Pt1 91.4(6) ?
C5 Re2 Pt1 90.3(6) ?
P1 Re2 Pt1 104.08(15) y
C14 Re3 C11 179.5(9) ?
C14 Re3 C12 88.6(10) ?
C11 Re3 C12 91.3(11) ?
C14 Re3 C13 88.0(9) ?
C11 Re3 C13 91.8(10) ?
C12 Re3 C13 152.9(9) ?
C14 Re3 P2 89.5(6) ?
C11 Re3 P2 91.0(6) ?
C12 Re3 P2 115.6(7) ?
C13 Re3 P2 91.3(7) ?
C14 Re3 Pt1 94.3(6) ?
C11 Re3 Pt1 85.2(6) ?
C12 Re3 Pt1 80.5(6) ?
C13 Re3 Pt1 73.0(6) ?
P2 Re3 Pt1 163.66(16) y
C14 Re3 Re4 92.7(6) ?
C11 Re3 Re4 87.7(7) ?
C12 Re3 Re4 65.8(7) y
C13 Re3 Re4 141.2(6) ?
P2 Re3 Re4 49.95(15) y
Pt1 Re3 Re4 145.35(4) y
C18 Re4 C17 90.8(10) ?
C18 Re4 C15 96.5(10) ?
C17 Re4 C15 91.4(10) ?
C18 Re4 C16 87.2(9) ?
C17 Re4 C16 177.3(9) ?
C15 Re4 C16 86.9(9) ?
C18 Re4 P2 101.1(8) ?
C17 Re4 P2 89.3(7) ?
C15 Re4 P2 162.3(7) ?
C16 Re4 P2 92.9(6) ?
C18 Re4 Re3 152.0(8) ?
C17 Re4 Re3 87.4(6) ?
C15 Re4 Re3 111.5(7) y
C16 Re4 Re3 95.3(6) ?
P2 Re4 Re3 50.89(14) y
C31 P1 C21 104.3(10) ?
C31 P1 Re1 113.3(7) ?
C21 P1 Re1 120.7(6) ?
C31 P1 Re2 114.3(7) ?
C21 P1 Re2 120.8(7) ?
Re1 P1 Re2 83.19(18) y
C41 P2 C51 112.3(10) ?
C41 P2 Re4 115.3(7) ?
C51 P2 Re4 117.8(7) ?
C41 P2 Re3 114.2(7) ?
C51 P2 Re3 114.2(5) ?
Re4 P2 Re3 79.15(18) y
O1 C1 Re1 176(2) ?
O2 C2 Re1 176(2) ?
O3 C3 Re1 177(2) ?
O4 C4 Re1 179(2) ?
O5 C5 Re2 173.9(18) ?
O6 C6 Re2 178(2) ?
O7 C7 Re2 179(2) ?
O8 C8 Re2 176(2) ?
O9 C9 Pt1 175(2) ?
O10 C10 Pt1 176(2) ?
O11 C11 Re3 177(2) ?
O12 C12 Re3 169(2) ?
O13 C13 Re3 175(2) ?
O14 C14 Re3 176.5(19) ?
O15 C15 Re4 179(2) ?
O16 C16 Re4 179(2) ?
O17 C17 Re4 177(2) ?
O18 C18 Re4 178(2) ?
C26 C21 C22 110.2(14) ?
C26 C21 P1 112.4(12) ?
C22 C21 P1 115.7(12) ?
C23 C22 C21 110.6(14) ?
C22 C23 C24 111.1(14) ?
C25 C24 C23 109.7(14) ?
C26 C25 C24 112.3(13) ?
C25 C26 C21 111.7(13) ?
C32 C31 C36 110.3(14) ?
C32 C31 P1 112.9(12) ?
C36 C31 P1 114.9(13) ?
C31 C32 C33 110.8(13) ?
C34 C33 C32 110.5(13) ?
C35 C34 C33 110.6(13) ?
C34 C35 C36 111.2(14) ?
C35 C36 C31 109.9(14) ?
C46 C41 C42 106.6(13) ?
C46 C41 P2 117.2(12) ?
C42 C41 P2 115.1(12) ?
C43 C42 C41 109.7(13) ?
C44 C43 C42 110.6(14) ?
C43 C44 C45 110.3(14) ?
C44 C45 C46 109.2(14) ?
C41 C46 C45 109.8(14) ?
C52 C51 C56 109.8(13) ?
C52 C51 P2 113.9(13) ?
C56 C51 P2 110.0(12) ?
C53 C52 C51 112.2(14) ?
C54 C53 C52 111.6(14) ?
C53 C54 C55 109.6(14) ?
C56 C55 C54 110.4(14) ?
C55 C56 C51 110.3(14) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 C9 . 1.91(2) ?
Pt1 C10 . 1.93(2) ?
Pt1 Re3 . 2.8548(13) y
Pt1 Re2 . 2.9025(15) y
Pt1 Re1 . 2.9165(12) y
Re1 Re2 . 3.2620(15) y
Re1 C4 . 1.96(2) ?
Re1 C3 . 1.96(2) ?
Re1 C2 . 1.97(2) ?
Re1 C1 . 1.99(2) ?
Re1 P1 . 2.454(6) y
Re2 C7 . 1.95(2) ?
Re2 C8 . 1.97(2) ?
Re2 C6 . 1.98(2) ?
Re2 C5 . 2.03(2) ?
Re2 P1 . 2.459(6) y
Re3 C14 . 1.97(2) ?
Re3 C11 . 1.98(2) ?
Re3 C12 . 1.99(2) ?
Re3 C13 . 2.00(2) ?
Re3 P2 . 2.429(6) y
Re3 Re4 . 3.0739(15) y
Re4 C18 . 1.89(2) ?
Re4 C17 . 1.95(2) ?
Re4 C15 . 1.97(2) ?
Re4 C16 . 1.98(2) ?
Re4 P2 . 2.396(6) y
P1 C31 . 1.853(19) ?
P1 C21 . 1.872(18) ?
P2 C41 . 1.825(18) ?
P2 C51 . 1.870(19) ?
O1 C1 . 1.14(2) ?
O2 C2 . 1.14(3) ?
O3 C3 . 1.15(3) ?
O4 C4 . 1.10(2) ?
O5 C5 . 1.12(2) ?
O6 C6 . 1.16(2) ?
O7 C7 . 1.14(2) ?
O8 C8 . 1.16(2) ?
O9 C9 . 1.12(3) ?
O10 C10 . 1.13(3) ?
O11 C11 . 1.17(3) ?
O12 C12 . 1.16(3) ?
O13 C13 . 1.15(3) ?
O14 C14 . 1.15(2) ?
O15 C15 . 1.12(2) ?
O16 C16 . 1.14(3) ?
O17 C17 . 1.16(3) ?
O18 C18 . 1.18(3) ?
C21 C26 . 1.523(15) ?
C21 C22 . 1.525(15) ?
C22 C23 . 1.523(15) ?
C23 C24 . 1.528(15) ?
C24 C25 . 1.528(15) ?
C25 C26 . 1.514(15) ?
C31 C32 . 1.546(15) ?
C31 C36 . 1.557(15) ?
C32 C33 . 1.550(15) ?
C33 C34 . 1.547(15) ?
C34 C35 . 1.542(15) ?
C35 C36 . 1.545(15) ?
C41 C46 . 1.553(15) ?
C41 C42 . 1.563(15) ?
C42 C43 . 1.555(15) ?
C43 C44 . 1.552(15) ?
C44 C45 . 1.552(15) ?
C45 C46 . 1.558(16) ?
C51 C52 . 1.542(15) ?
C51 C56 . 1.546(15) ?
C52 C53 . 1.539(15) ?
C53 C54 . 1.534(15) ?
C54 C55 . 1.543(16) ?
C55 C56 . 1.535(16) ?
