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#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/4/4060222.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_4060222
_publ_section_title
;
Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group
 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes.
 Young-Joo Lee, Jong-Dae Lee, Sung-Joon Kim, Samrok Keum, Jaejung Ko, Il-Hwan Su
h, Minserk Cheong, and Sang Ook Kang Organometallics; 2004; 23(2) pp 203 - 214;
(Article)
;
_chemical_formula_sum   'C12 H44 B20 P2 Pt Si2'
_cell_length_a       9.5000(9)
_cell_length_b       22.6734(14)
_cell_length_c       14.6629(6)
_cell_angle_alpha    90.00
_cell_angle_beta     95.864(5)
_cell_angle_gamma    90.00
_cell_volume          3141.82
_symmetry_space_group_name_H-M   'P21/n'
loop_
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_Biso
Pt1 ? ? 0.54628(3) 0.390438(11) 0.834805(16) 1 0.02501(13)
P1 ? ? 0.3659(2) 0.32588(9) 0.78561(12) 1 0.0306(4)
P2 ? ? 0.5155(2) 0.45498(9) 0.71263(12) 1 0.0298(4)
Si1 ? ? 0.5979(2) 0.32729(9) 0.96081(13) 1 0.0292(4)
Si2 ? ? 0.7370(2) 0.44946(9) 0.89547(13) 1 0.0287(4)
C1 ? ? 0.3089(7) 0.2796(3) 0.8821(5) 1 0.0299(15)
C2 ? ? 0.4297(7) 0.2816(3) 0.9729(5) 1 0.0271(14)
C3 ? ? 0.1977(10) 0.3558(5) 0.7375(7) 1 0.059(3)
H3A ? ? 0.2117 0.3794 0.6848 1 0.089
H3B ? ? 0.1584 0.3797 0.7825 1 0.089
H3C ? ? 0.1339 0.3240 0.7195 1 0.089
C4 ? ? 0.4104(12) 0.2721(5) 0.7011(6) 1 0.061(3)
H4A ? ? 0.3348 0.2441 0.6903 1 0.092
H4B ? ? 0.4958 0.2519 0.7236 1 0.092
H4C ? ? 0.4242 0.2919 0.6449 1 0.092
C5 ? ? 0.6392(10) 0.3559(4) 1.0805(6) 1 0.044(2)
H5A ? ? 0.6287 0.3246 1.1234 1 0.066
H5B ? ? 0.5754 0.3874 1.0910 1 0.066
H5C ? ? 0.7347 0.3703 1.0882 1 0.066
C6 ? ? 0.7387(10) 0.2711(4) 0.9425(7) 1 0.052(2)
H6A ? ? 0.8304 0.2880 0.9588 1 0.077
H6B ? ? 0.7304 0.2595 0.8792 1 0.077
H6C ? ? 0.7268 0.2371 0.9801 1 0.077
C7 ? ? 0.6752(8) 0.5006(3) 0.7041(5) 1 0.0297(15)
C8 ? ? 0.7921(8) 0.5000(3) 0.7978(5) 1 0.0316(15)
C9 ? ? 0.4853(10) 0.4253(4) 0.5996(5) 1 0.0419(19)
H9A ? ? 0.4049 0.3994 0.5960 1 0.063
H9B ? ? 0.5673 0.4036 0.5857 1 0.063
H9C ? ? 0.4676 0.4568 0.5563 1 0.063
C10 ? ? 0.3707(9) 0.5072(4) 0.7148(8) 1 0.053(2)
H10A ? ? 0.3645 0.5310 0.6604 1 0.079
H10B ? ? 0.3876 0.5321 0.7678 1 0.079
H10C ? ? 0.2836 0.4861 0.7175 1 0.079
C11 ? ? 0.9094(9) 0.4140(5) 0.9338(6) 1 0.051(2)
H11A ? ? 0.9779 0.4438 0.9530 1 0.077
H11B ? ? 0.9414 0.3919 0.8840 1 0.077
H11C ? ? 0.8980 0.3880 0.9842 1 0.077
C12 ? ? 0.6990(11) 0.5012(4) 0.9889(6) 1 0.047(2)
H12A ? ? 0.6910 0.4793 1.0442 1 0.071
H12B ? ? 0.6118 0.5216 0.9714 1 0.071
H12C ? ? 0.7746 0.5293 0.9991 1 0.071
B3 ? ? 0.2728(9) 0.3206(4) 0.9730(6) 1 0.0314(17)
H3 ? ? 0.2684 0.3691 0.9739 1 0.038
B4 ? ? 0.1415(9) 0.2774(4) 0.9102(7) 1 0.038(2)
H4 ? ? 0.0495 0.2977 0.8704 1 0.045
B5 ? ? 0.2238(10) 0.2144(4) 0.8700(7) 1 0.041(2)
H5 ? ? 0.1848 0.1942 0.8040 1 0.049
B6 ? ? 0.4114(10) 0.2181(4) 0.9096(7) 1 0.037(2)
H6 ? ? 0.4944 0.2009 0.8698 1 0.044
B7 ? ? 0.3423(10) 0.2784(4) 1.0706(6) 1 0.040(2)
H7 ? ? 0.3813 0.2991 1.1361 1 0.047
B8 ? ? 0.1568(9) 0.2761(5) 1.0307(6) 1 0.040(2)
H8 ? ? 0.0749 0.2956 1.0693 1 0.048
B9 ? ? 0.1322(11) 0.2083(4) 0.9682(7) 1 0.044(2)
H9 ? ? 0.0334 0.1829 0.9672 1 0.052
B10 ? ? 0.2969(11) 0.1715(4) 0.9669(8) 1 0.046(2)
H10 ? ? 0.3054 0.1231 0.9643 1 0.055
B11 ? ? 0.4260(11) 0.2158(4) 1.0296(7) 1 0.041(2)
H11 ? ? 0.5196 0.1962 1.0686 1 0.050
B12 ? ? 0.2532(12) 0.2097(5) 1.0667(7) 1 0.047(2)
H12 ? ? 0.2327 0.1861 1.1295 1 0.057
B13 ? ? 0.8306(9) 0.4624(4) 0.6999(6) 1 0.0359(19)
H13 ? ? 0.8373 0.4141 0.6947 1 0.043
B14 ? ? 0.7601(10) 0.5073(4) 0.6068(6) 1 0.041(2)
H14 ? ? 0.7213 0.4879 0.5402 1 0.049
B15 ? ? 0.6742(12) 0.5672(4) 0.6496(7) 1 0.044(2)
H15 ? ? 0.5804 0.5868 0.6108 1 0.053
B16 ? ? 0.6892(11) 0.5615(4) 0.7732(6) 1 0.041(2)
H16 ? ? 0.6057 0.5765 0.8145 1 0.049
B17 ? ? 0.9601(10) 0.5063(5) 0.7671(7) 1 0.043(2)
H17 ? ? 1.0539 0.4862 0.8051 1 0.051
B18 ? ? 0.9433(12) 0.5108(5) 0.6456(7) 1 0.048(2)
H18 ? ? 1.0255 0.4938 0.6050 1 0.057
B19 ? ? 0.8473(13) 0.5761(5) 0.6142(7) 1 0.053(3)
H19 ? ? 0.8682 0.6014 0.5530 1 0.064
B20 ? ? 0.8019(13) 0.6109(5) 0.7176(8) 1 0.050(3)
H20 ? ? 0.7918 0.6591 0.7226 1 0.059
B21 ? ? 0.8708(11) 0.5675(4) 0.8119(7) 1 0.046(2)
H21 ? ? 0.9053 0.5871 0.8791 1 0.055
B22 ? ? 0.9656(12) 0.5763(5) 0.7162(8) 1 0.053(3)
H22 ? ? 1.0636 0.6024 0.7214 1 0.064