#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:53:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179133 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/95/4309552.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_4309552
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Rolfe H. Herber'
'Mikael Johansson'
'Israel Nowik'
'Jack L. Smith'
'Mark D. Smith'
_publ_section_title
;
Addition of Palladium and Platinum Tri-tert-Butylphosphine Groups to
Re-Sn and Re-Ge Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6346
_journal_page_last               6358
_journal_paper_doi               10.1021/ic051077x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'c56 H74 O8 P2 Pt2 Re2 Sn2, 2 (C6 H6)'
_chemical_formula_sum            'C68 H86 O8 P2 Pt2 Re2 Sn2'
_chemical_formula_weight         2093.27
_chemical_name_systematic
; 
 ? 
;
_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'
_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                 108.7180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.0204(7)
_cell_length_b                   14.6505(7)
_cell_length_c                   17.9884(9)
_cell_measurement_reflns_used    5427
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.39
_cell_volume                     3499.5(3)
_computing_cell_refinement       'SAINT+  V6.2 (Bruker, 2001)'
_computing_data_collection       'SMART V5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT+  V6.2'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0202
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18795
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    8.226
_exptl_absorpt_correction_T_max  0.518
_exptl_absorpt_correction_T_min  0.153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.987
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1988
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.226
_refine_diff_density_min         -0.663
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6119
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0229
_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)+(0.0294P)²+4.1224P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0603
_reflns_number_gt                5434
_reflns_number_total             6119
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051077xsi20050630_093958.cif
_cod_data_source_block           Re2Sn2Pt2
_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               4309552
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_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
Pt1 Pt 0.864023(13) -0.017588(12) 0.284776(10) 0.03679(6) Uani 1 1 d . . .
Re1 Re 1.014844(12) -0.053672(12) 0.427001(9) 0.03247(6) Uani 1 1 d . . .
Sn1 Sn 0.83430(2) 0.02177(2) 0.429024(17) 0.03517(8) Uani 1 1 d . . .
P1 P 0.78688(9) -0.00822(8) 0.15073(7) 0.0375(3) Uani 1 1 d . . .
O11 O 0.9437(3) -0.2303(3) 0.4887(2) 0.0711(11) Uani 1 1 d . . .
O12 O 1.2056(3) -0.1461(3) 0.4148(2) 0.0701(11) Uani 1 1 d . . .
O13 O 1.0665(3) 0.1299(3) 0.3602(2) 0.0688(11) Uani 1 1 d . . .
O14 O 0.9580(3) -0.1904(3) 0.2892(2) 0.0773(13) Uani 1 1 d . . .
C11 C 0.9715(4) -0.1649(3) 0.4688(3) 0.0443(11) Uani 1 1 d . . .
C12 C 1.1362(4) -0.1099(3) 0.4228(3) 0.0455(11) Uani 1 1 d . . .
C13 C 1.0480(4) 0.0627(3) 0.3837(3) 0.0447(11) Uani 1 1 d . . .
C14 C 0.9542(4) -0.1222(3) 0.3218(3) 0.0456(11) Uani 1 1 d . . .
C21 C 0.7592(4) 0.1496(3) 0.3879(3) 0.0456(11) Uani 1 1 d . . .
C22 C 0.6569(4) 0.1563(4) 0.3733(3) 0.0674(16) Uani 1 1 d . . .
H22 H 0.6207 0.1049 0.3788 0.081 Uiso 1 1 calc R . .
C23 C 0.6070(6) 0.2383(6) 0.3505(4) 0.092(2) Uani 1 1 d . . .
H23 H 0.5379 0.2418 0.3411 0.110 Uiso 1 1 calc R . .
C24 C 0.6581(7) 0.3129(5) 0.3419(4) 0.091(2) Uani 1 1 d . . .
H24 H 0.6240 0.3677 0.3266 0.109 Uiso 1 1 calc R . .
C25 C 0.7590(6) 0.3093(4) 0.3554(4) 0.082(2) Uani 1 1 d . . .
H25 H 0.7940 0.3611 0.3492 0.098 Uiso 1 1 calc R . .
C26 C 0.8091(5) 0.2271(4) 0.3786(3) 0.0625(14) Uani 1 1 d . . .
H26 H 0.8783 0.2246 0.3880 0.075 Uiso 1 1 calc R . .
C27 C 0.7111(3) -0.0611(3) 0.4365(3) 0.0431(11) Uani 1 1 d D . .
C28 C 0.6724(5) -0.0558(5) 0.4988(4) 0.081(2) Uani 1 1 d D . .
H28 H 0.7053 -0.0204 0.5425 0.097 Uiso 1 1 calc R . .
C29 C 0.5861(5) -0.1021(5) 0.4964(5) 0.093(2) Uani 1 1 d . . .
H29 H 0.5614 -0.0970 0.5385 0.112 Uiso 1 1 calc R . .
C30 C 0.5369(5) -0.1541(5) 0.4354(5) 0.086(2) Uani 1 1 d . . .
H30 H 0.4782 -0.1843 0.4345 0.103 Uiso 1 1 calc R . .
C31 C 0.5731(7) -0.1622(6) 0.3756(5) 0.115(3) Uani 1 1 d . . .
H31 H 0.5401 -0.1997 0.3335 0.138 Uiso 1 1 calc R . .
C32 C 0.6588(6) -0.1159(5) 0.3751(4) 0.093(2) Uani 1 1 d D . .
H32 H 0.6815 -0.1220 0.3322 0.111 Uiso 1 1 calc R . .
C33 C 0.8864(4) 0.0106(4) 0.1014(3) 0.0568(14) Uani 1 1 d . . .
C35 C 0.9754(5) -0.0531(5) 0.1377(4) 0.084(2) Uani 1 1 d . . .
H35A H 0.9527 -0.1152 0.1312 0.126 Uiso 1 1 calc R . .
H35B H 1.0044 -0.0397 0.1927 0.126 Uiso 1 1 calc R . .
H35C H 1.0252 -0.0442 0.1122 0.126 Uiso 1 1 calc R . .
C34 C 0.8487(5) -0.0035(5) 0.0115(3) 0.083(2) Uani 1 1 d . . .
H34A H 0.9006 0.0142 -0.0098 0.124 Uiso 1 1 calc R . .
H34B H 0.7899 0.0332 -0.0115 0.124 Uiso 1 1 calc R . .
H34C H 0.8323 -0.0666 -0.0001 0.124 Uiso 1 1 calc R . .
C36 C 0.9273(5) 0.1087(5) 0.1169(4) 0.089(2) Uani 1 1 d . . .
H36A H 0.9823 0.1160 0.0965 0.134 Uiso 1 1 calc R . .
H36B H 0.9504 0.1202 0.1724 0.134 Uiso 1 1 calc R . .
H36C H 0.8747 0.1511 0.0915 0.134 Uiso 1 1 calc R . .
C37 C 0.7125(4) -0.1161(4) 0.1088(3) 0.0601(14) Uani 1 1 d . . .
C38 C 0.7853(5) -0.1929(4) 0.1037(4) 0.083(2) Uani 1 1 d . . .
H38A H 0.8379 -0.1985 0.1532 0.124 Uiso 1 1 calc R . .
H38B H 0.8142 -0.1786 0.0635 0.124 Uiso 1 1 calc R . .
H38C H 0.7491 -0.2495 0.0914 0.124 Uiso 1 1 calc R . .
C39 C 0.6343(5) -0.1031(5) 0.0268(3) 0.0771(19) Uani 1 1 d . . .
H39A H 0.6046 -0.1610 0.0072 0.116 Uiso 1 1 calc R . .
H39B H 0.6668 -0.0784 -0.0083 0.116 Uiso 1 1 calc R . .
H39C H 0.5827 -0.0619 0.0303 0.116 Uiso 1 1 calc R . .
C40 C 0.6611(5) -0.1505(5) 0.1665(4) 0.086(2) Uani 1 1 d . . .
H40A H 0.6213 -0.1024 0.1778 0.129 Uiso 1 1 calc R . .
H40B H 0.7113 -0.1695 0.2143 0.129 Uiso 1 1 calc R . .
H40C H 0.6184 -0.2013 0.1439 0.129 Uiso 1 1 calc R . .
C41 C 0.6984(4) 0.0940(4) 0.1294(3) 0.0534(13) Uani 1 1 d . . .
C42 C 0.6639(5) 0.1280(4) 0.0434(3) 0.0749(19) Uani 1 1 d . . .
H42A H 0.6159 0.1765 0.0374 0.112 Uiso 1 1 calc R . .
H42B H 0.6332 0.0786 0.0090 0.112 Uiso 1 1 calc R . .
H42C H 0.7211 0.1501 0.0304 0.112 Uiso 1 1 calc R . .
C43 C 0.6058(5) 0.0697(6) 0.1531(4) 0.091(2) Uani 1 1 d . . .
H43A H 0.6271 0.0450 0.2052 0.136 Uiso 1 1 calc R . .
H43B H 0.5659 0.0253 0.1172 0.136 Uiso 1 1 calc R . .
H43C H 0.5663 0.1237 0.1516 0.136 Uiso 1 1 calc R . .
C44 C 0.7503(6) 0.1720(4) 0.1828(3) 0.084(2) Uani 1 1 d . . .
H44A H 0.7043 0.2222 0.1763 0.126 Uiso 1 1 calc R . .
H44B H 0.8081 0.1912 0.1693 0.126 Uiso 1 1 calc R . .
H44C H 0.7711 0.1519 0.2364 0.126 Uiso 1 1 calc R . .
C1 C 0.2125(6) 0.1122(7) 0.2254(6) 0.121(3) Uani 1 1 d D . .
H1 H 0.1496 0.1385 0.2174 0.146 Uiso 1 1 calc R . .
C2 C 0.2749(9) 0.1462(6) 0.1863(5) 0.129(3) Uani 1 1 d D . .
H2 H 0.2532 0.1921 0.1490 0.155 Uiso 1 1 calc R . .
C3 C 0.3707(9) 0.1100(9) 0.2043(8) 0.166(6) Uani 1 1 d D . .
H3 H 0.4143 0.1321 0.1790 0.199 Uiso 1 1 calc R . .
C4 C 0.4024(7) 0.0417(9) 0.2590(7) 0.142(5) Uani 1 1 d D . .
H4 H 0.4677 0.0193 0.2717 0.170 Uiso 1 1 calc R . .
C5 C 0.3374(9) 0.0062(7) 0.2952(6) 0.140(4) Uani 1 1 d D . .
H5 H 0.3586 -0.0401 0.3322 0.169 Uiso 1 1 calc R . .
C6 C 0.2425(8) 0.0395(8) 0.2762(6) 0.138(4) Uani 1 1 d D . .
H6 H 0.1970 0.0131 0.2977 0.165 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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'
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
C14 Pt1 P1 115.85(14) . . ?
C14 Pt1 Re1 47.64(14) . . ?
P1 Pt1 Re1 158.42(3) . . ?
C14 Pt1 Sn1 96.71(14) . . ?
P1 Pt1 Sn1 142.36(3) . . ?
Re1 Pt1 Sn1 59.201(8) . . ?
C12 Re1 C11 92.6(2) . . ?
C12 Re1 C13 91.8(2) . . ?
C11 Re1 C13 175.5(2) . . ?
C12 Re1 C14 82.20(19) . . ?
C11 Re1 C14 82.0(2) . . ?
C13 Re1 C14 97.9(2) . . ?
C12 Re1 Sn1 177.51(14) . . ?
C11 Re1 Sn1 85.98(14) . . ?
C13 Re1 Sn1 89.57(14) . . ?
C14 Re1 Sn1 95.55(13) . . ?
C12 Re1 Pt1 117.77(14) . . ?
C11 Re1 Pt1 105.67(14) . . ?
C13 Re1 Pt1 71.52(14) . . ?
C14 Re1 Pt1 44.52(13) . . ?
Sn1 Re1 Pt1 60.748(8) . . ?
C12 Re1 Sn1 72.06(14) . 3_756 ?
C11 Re1 Sn1 91.08(14) . 3_756 ?
C13 Re1 Sn1 90.98(14) . 3_756 ?
C14 Re1 Sn1 153.03(13) . 3_756 ?
Sn1 Re1 Sn1 110.007(9) . 3_756 ?
Pt1 Re1 Sn1 159.520(11) . 3_756 ?
C12 Re1 Re1 126.54(14) . 3_756 ?
C11 Re1 Re1 87.47(13) . 3_756 ?
C13 Re1 Re1 90.49(14) . 3_756 ?
C14 Re1 Re1 149.96(14) . 3_756 ?
Sn1 Re1 Re1 55.514(8) . 3_756 ?
Pt1 Re1 Re1 113.479(9) . 3_756 ?
Sn1 Re1 Re1 54.493(8) 3_756 3_756 ?
C27 Sn1 C21 101.42(19) . . ?
C27 Sn1 Re1 122.05(12) . . ?
C21 Sn1 Re1 133.46(13) . . ?
C27 Sn1 Re1 114.74(12) . 3_756 ?
C21 Sn1 Re1 108.18(13) . 3_756 ?
Re1 Sn1 Re1 69.993(9) . 3_756 ?
C27 Sn1 Pt1 107.54(12) . . ?
C21 Sn1 Pt1 93.54(12) . . ?
Re1 Sn1 Pt1 60.051(8) . . ?
Re1 Sn1 Pt1 126.406(12) 3_756 . ?
C33 P1 C41 108.7(2) . . ?
C33 P1 C37 109.0(3) . . ?
C41 P1 C37 109.5(3) . . ?
C33 P1 Pt1 109.17(18) . . ?
C41 P1 Pt1 108.28(15) . . ?
C37 P1 Pt1 112.12(17) . . ?
O11 C11 Re1 176.2(4) . . ?
O12 C12 Re1 175.0(4) . . ?
O13 C13 Re1 178.6(4) . . ?
O14 C14 Pt1 128.7(4) . . ?
O14 C14 Re1 143.4(4) . . ?
Pt1 C14 Re1 87.84(19) . . ?
C26 C21 C22 117.3(5) . . ?
C26 C21 Sn1 123.2(4) . . ?
C22 C21 Sn1 119.4(4) . . ?
C21 C22 C23 120.9(7) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
C24 C23 C22 120.2(7) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 120.8(6) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C24 C25 C26 119.0(7) . . ?
C24 C25 H25 120.5 . . ?
C26 C25 H25 120.5 . . ?
C21 C26 C25 121.7(6) . . ?
C21 C26 H26 119.1 . . ?
C25 C26 H26 119.1 . . ?
C32 C27 C28 115.7(5) . . ?
C32 C27 Sn1 120.9(4) . . ?
C28 C27 Sn1 123.1(4) . . ?
C29 C28 C27 120.8(6) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C30 C29 C28 121.7(6) . . ?
C30 C29 H29 119.2 . . ?
C28 C29 H29 119.2 . . ?
C29 C30 C31 119.1(6) . . ?
C29 C30 H30 120.5 . . ?
C31 C30 H30 120.5 . . ?
C30 C31 C32 121.2(7) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
C27 C32 C31 121.6(6) . . ?
C27 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
C35 C33 C36 106.7(5) . . ?
C35 C33 C34 108.9(5) . . ?
C36 C33 C34 107.2(5) . . ?
C35 C33 P1 109.5(4) . . ?
C36 C33 P1 109.8(4) . . ?
C34 C33 P1 114.5(4) . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C40 C37 C38 105.3(5) . . ?
C40 C37 C39 110.2(5) . . ?
C38 C37 C39 108.3(5) . . ?
C40 C37 P1 108.8(4) . . ?
C38 C37 P1 109.9(4) . . ?
C39 C37 P1 114.0(4) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C44 C41 C43 106.0(5) . . ?
C44 C41 C42 108.8(5) . . ?
C43 C41 C42 109.3(5) . . ?
C44 C41 P1 108.4(4) . . ?
C43 C41 P1 108.5(4) . . ?
C42 C41 P1 115.4(3) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C6 C1 C2 120.5(7) . . ?
C6 C1 H1 119.7 . . ?
C2 C1 H1 119.7 . . ?
C1 C2 C3 118.0(8) . . ?
C1 C2 H2 121.0 . . ?
C3 C2 H2 121.0 . . ?
C4 C3 C2 120.9(8) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 120.2(8) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 119.2(8) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C5 C6 C1 120.9(8) . . ?
C5 C6 H6 119.6 . . ?
C1 C6 H6 119.6 . . ?
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
Pt1 C14 1.963(5) . ?
Pt1 P1 2.3084(12) . ?
Pt1 Re1 2.7972(2) . ?
Pt1 Sn1 2.8166(4) . ?
Re1 C12 1.913(5) . ?
Re1 C11 1.970(5) . ?
Re1 C13 1.991(5) . ?
Re1 C14 2.068(5) . ?
Re1 Sn1 2.7730(4) . ?
Re1 Sn1 2.8078(3) 3_756 ?
Re1 Re1 3.2008(3) 3_756 ?
Sn1 C27 2.151(5) . ?
Sn1 C21 2.160(5) . ?
Sn1 Re1 2.8078(3) 3_756 ?
P1 C33 1.898(5) . ?
P1 C41 1.903(5) . ?
P1 C37 1.910(5) . ?
O11 C11 1.136(6) . ?
O12 C12 1.158(6) . ?
O13 C13 1.134(6) . ?
O14 C14 1.168(6) . ?
C21 C26 1.372(7) . ?
C21 C22 1.376(7) . ?
C22 C23 1.385(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.342(11) . ?
C23 H23 0.9300 . ?
C24 C25 1.357(10) . ?
C24 H24 0.9300 . ?
C25 C26 1.389(8) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C32 1.372(7) . ?
C27 C28 1.395(7) . ?
C28 C29 1.376(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.331(10) . ?
C29 H29 0.9300 . ?
C30 C31 1.334(10) . ?
C30 H30 0.9300 . ?
C31 C32 1.381(9) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C35 1.527(8) . ?
C33 C36 1.540(9) . ?
C33 C34 1.546(8) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C40 1.527(8) . ?
C37 C38 1.542(8) . ?
C37 C39 1.543(7) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C44 1.519(8) . ?
C41 C43 1.532(8) . ?
C41 C42 1.549(7) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C1 C6 1.377(10) . ?
C1 C2 1.381(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.383(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.374(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.380(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.355(9) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
