#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:17:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178501 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/30/4063059.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_4063059
loop_
_publ_author_name
'Tetsuyuki Yamada'
'Makoto Tanabe'
'Kohtaro Osakada'
'Yong-Joo Kim'
_publ_section_title
;
Pd-Pt Heterobimetallic Complexes with Bridging Si-Ligands. Structure
and Reaction with Isonitrile to Afford
a Platinacyclopentane Containing Si, N, and C Atoms
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049858d
_journal_year                    2004
_chemical_formula_moiety         'C46 H68 N2 P2 Pt2 Si2'
_chemical_formula_sum            'C46 H68 N2 P2 Pt2 Si2'
_chemical_formula_weight         1157.36
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.471(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.222(5)
_cell_length_b                   11.727(2)
_cell_length_c                   22.376(5)
_cell_measurement_temperature    293.1
_cell_volume                     4836.7(20)
_exptl_crystal_density_diffrn    1.589
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4063059
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,-z
-x,y,-z+1/2
x,-y,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-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
Pt(1) Pt 0.1034 -0.0084 0.2943 0.01440(13) Uani 1.00 1 d . . .
P(1) P 0.1693 -0.0346 0.3979 0.0186(9) Uani 1.00 1 d . . .
Si(1) Si 0.0157 0.0079 0.1950 0.0149(8) Uani 1.00 1 d . . .
N(1) N 0.2271 -0.0725 0.2330 0.019(3) Uani 1.00 1 d . . .
C(1) C 0.1822 -0.0448 0.2574 0.021(4) Uani 1.00 1 d . . .
C(2) C 0.2743 -0.1207 0.1996 0.025(4) Uani 1.00 1 d . . .
C(3) C 0.2418 -0.0978 0.1318 0.038(5) Uani 1.00 1 d . . .
C(4) C 0.3463 -0.0575 0.2251 0.043(6) Uani 1.00 1 d . . .
C(5) C 0.2794 -0.2452 0.2151 0.045(6) Uani 1.00 1 d . . .
C(6) C 0.2677 -0.0139 0.4139 0.019(3) Uani 1.00 1 d . . .
C(7) C 0.3130 -0.0280 0.4801 0.032(4) Uani 1.00 1 d . . .
C(8) C 0.1644 -0.1802 0.4252 0.033(5) Uani 1.00 1 d . . .
C(9) C 0.1719 -0.2698 0.3798 0.035(5) Uani 1.00 1 d . . .
C(10) C 0.1489 0.0490 0.4606 0.022(4) Uani 1.00 1 d . . .
C(11) C 0.1675 0.1764 0.4565 0.036(5) Uani 1.00 1 d . . .
C(12) C 0.0297 -0.1124 0.1438 0.010(3) Uani 1.00 1 d . . .
C(13) C 0.0440 -0.2231 0.1706 0.023(4) Uani 1.00 1 d . . .
C(14) C 0.0515 -0.3177 0.1331 0.031(5) Uani 1.00 1 d . . .
C(15) C 0.0433 -0.3044 0.0715 0.033(5) Uani 1.00 1 d . . .
C(16) C 0.0326 -0.1977 0.0440 0.020(4) Uani 1.00 1 d . . .
C(17) C 0.0242 -0.1030 0.0770 0.026(4) Uani 1.00 1 d . . .
C(18) C 0.0331 0.1462 0.1586 0.019(4) Uani 1.00 1 d . . .
C(19) C 0.0854 0.1579 0.1268 0.020(4) Uani 1.00 1 d . . .
C(20) C 0.0982 0.2591 0.0997 0.024(4) Uani 1.00 1 d . . .
C(21) C 0.0557 0.3546 0.1035 0.024(4) Uani 1.00 1 d . . .
C(22) C 0.0059 0.3471 0.1362 0.027(4) Uani 1.00 1 d . . .
C(23) C -0.0082 0.2445 0.1622 0.023(4) Uani 1.00 1 d . . .
H(1) H 0.2376 -0.0179 0.1250 0.047(6) Uiso 1.00 1 c . . .
H(2) H 0.2720 -0.1293 0.1090 0.047(6) Uiso 1.00 1 c . . .
H(3) H 0.1951 -0.1318 0.1184 0.047(6) Uiso 1.00 1 c . . .
H(4) H 0.3642 -0.0702 0.2687 0.052(6) Uiso 1.00 1 c . . .
H(5) H 0.3805 -0.0848 0.2051 0.052(6) Uiso 1.00 1 c . . .
H(6) H 0.3388 0.0219 0.2174 0.052(6) Uiso 1.00 1 c . . .
H(7) H 0.2324 -0.2783 0.2019 0.053(7) Uiso 1.00 1 c . . .
H(8) H 0.3101 -0.2816 0.1944 0.053(7) Uiso 1.00 1 c . . .
H(9) H 0.2988 -0.2547 0.2588 0.053(7) Uiso 1.00 1 c . . .
H(10) H 0.2846 -0.0674 0.3893 0.021(3) Uiso 1.00 1 c . . .
H(11) H 0.2753 0.0613 0.4013 0.021(3) Uiso 1.00 1 c . . .
H(12) H 0.3077 -0.1035 0.4936 0.039(5) Uiso 1.00 1 c . . .
H(13) H 0.3624 -0.0142 0.4827 0.039(5) Uiso 1.00 1 c . . .
H(14) H 0.2974 0.0248 0.5058 0.039(5) Uiso 1.00 1 c . . .
H(15) H 0.2022 -0.1904 0.4627 0.044(6) Uiso 1.00 1 c . . .
H(16) H 0.1188 -0.1900 0.4332 0.044(6) Uiso 1.00 1 c . . .
H(17) H 0.1695 -0.3431 0.3972 0.043(6) Uiso 1.00 1 c . . .
H(18) H 0.1337 -0.2621 0.3423 0.043(6) Uiso 1.00 1 c . . .
H(19) H 0.2173 -0.2612 0.3712 0.043(6) Uiso 1.00 1 c . . .
H(20) H 0.0987 0.0421 0.4573 0.027(4) Uiso 1.00 1 c . . .
H(21) H 0.1766 0.0198 0.4997 0.027(4) Uiso 1.00 1 c . . .
H(22) H 0.2177 0.1842 0.4601 0.049(7) Uiso 1.00 1 c . . .
H(23) H 0.1398 0.2064 0.4176 0.049(7) Uiso 1.00 1 c . . .
H(24) H 0.1564 0.2171 0.4894 0.049(7) Uiso 1.00 1 c . . .
H(25) H 0.0487 -0.2338 0.2136 0.027(4) Uiso 1.00 1 c . . .
H(26) H 0.0623 -0.3909 0.1516 0.035(5) Uiso 1.00 1 c . . .
H(27) H 0.0449 -0.3695 0.0466 0.040(5) Uiso 1.00 1 c . . .
H(28) H 0.0310 -0.1901 0.0014 0.024(4) Uiso 1.00 1 c . . .
H(29) H 0.0148 -0.0311 0.0567 0.031(5) Uiso 1.00 1 c . . .
H(30) H 0.1137 0.0931 0.1235 0.027(4) Uiso 1.00 1 c . . .
H(31) H 0.1349 0.2636 0.0790 0.030(4) Uiso 1.00 1 c . . .
H(32) H 0.0616 0.4239 0.0834 0.028(4) Uiso 1.00 1 c . . .
H(33) H -0.0199 0.4137 0.1415 0.032(5) Uiso 1.00 1 c . . .
H(34) H -0.0455 0.2407 0.1824 0.028(4) Uiso 1.00 1 c . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt(1) P(1) 2.325(4) yes . .
Pt(1) Si(1) 2.385(3) yes . .
Pt(1) C(1) 1.97(2) yes . .
P(1) C(6) 1.84(1) no . .
P(1) C(8) 1.82(2) no . .
P(1) C(10) 1.84(2) no . .
Si(1) C(12) 1.88(1) yes . .
Si(1) C(18) 1.89(1) yes . .
N(1) C(1) 1.19(2) yes . .
N(1) C(2) 1.44(2) yes . .
C(2) C(3) 1.49(2) yes . .
C(2) C(4) 1.53(2) no . .
C(2) C(5) 1.50(2) no . .
C(3) H(1) 0.95(3) no . .
C(3) H(2) 0.95(3) no . .
C(3) H(3) 0.95(3) no . .
C(4) H(4) 0.95(3) no . .
C(4) H(5) 0.95(3) no . .
C(4) H(6) 0.95(3) no . .
C(5) H(7) 0.95(3) no . .
C(5) H(8) 0.95(3) no . .
C(5) H(9) 0.95(2) no . .
C(6) C(7) 1.50(2) no . .
C(6) H(10) 0.95(2) no . .
C(6) H(11) 0.95(2) no . .
C(7) H(12) 0.95(3) no . .
C(7) H(13) 0.95(2) no . .
C(7) H(14) 0.95(3) no . .
C(8) C(9) 1.50(3) no . .
C(8) H(15) 0.95(2) no . .
C(8) H(16) 0.95(3) no . .
C(9) H(17) 0.95(2) no . .
C(9) H(18) 0.95(2) no . .
C(9) H(19) 0.95(3) no . .
C(10) C(11) 1.55(2) no . .
C(10) H(20) 0.95(2) no . .
C(10) H(21) 0.95(2) no . .
C(11) H(22) 0.95(3) no . .
C(11) H(23) 0.95(3) no . .
C(11) H(24) 0.95(3) no . .
C(12) C(13) 1.42(2) no . .
C(12) C(17) 1.47(2) no . .
C(13) C(14) 1.42(2) no . .
C(13) H(25) 0.95(2) no . .
C(14) C(15) 1.35(3) no . .
C(14) H(26) 0.95(2) no . .
C(15) C(16) 1.38(2) no . .
C(15) H(27) 0.95(2) no . .
C(16) C(17) 1.37(2) no . .
C(16) H(28) 0.95(2) no . .
C(17) H(29) 0.95(2) no . .
C(18) C(19) 1.39(3) no . .
C(18) C(23) 1.41(2) no . .
C(19) C(20) 1.39(2) no . .
C(19) H(30) 0.95(2) no . .
C(20) C(21) 1.40(2) no . .
C(20) H(31) 0.95(3) no . .
C(21) C(22) 1.36(3) no . .
C(21) H(32) 0.95(2) no . .
C(22) C(23) 1.40(2) no . .
C(22) H(33) 0.95(2) no . .
C(23) H(34) 0.95(3) no . .
