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#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/4/4060225.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_4060225
_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   'C34 H42 B10 P2 Pt Si'
_cell_length_a       13.0608(6)
_cell_length_b       18.2963(11)
_cell_length_c       16.3890(7)
_cell_angle_alpha    90.00
_cell_angle_beta     103.262(4)
_cell_angle_gamma    90.00
_cell_volume          3811.94
_symmetry_space_group_name_H-M   'P21/c'
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 ? ? 0.316292(18) 0.231647(13) 0.673304(16) 1 0.03862(10)
P1 ? ? 0.37762(11) 0.12059(8) 0.72418(10) 1 0.0319(3)
P2 ? ? 0.13996(12) 0.21155(9) 0.60366(10) 1 0.0332(4)
Si1 ? ? 0.47914(17) 0.28362(11) 0.7252(2) 1 0.0888(11)
C2 ? ? 0.5802(5) 0.2048(4) 0.7562(5) 1 0.0515(19)
C1 ? ? 0.5276(4) 0.1196(3) 0.7526(4) 1 0.0356(14)
C3 ? ? 0.3474(4) 0.0969(3) 0.8231(4) 1 0.0349(14)
C4 ? ? 0.3131(5) 0.1527(4) 0.8689(4) 1 0.0453(16)
H4 ? ? 0.3027 0.1996 0.8467 1 0.054
C5 ? ? 0.2946(6) 0.1379(4) 0.9482(5) 1 0.058(2)
H5 ? ? 0.2726 0.1750 0.9790 1 0.070
C6 ? ? 0.3090(6) 0.0690(5) 0.9801(5) 1 0.068(2)
H6 ? ? 0.2953 0.0591 1.0322 1 0.081
C7 ? ? 0.3437(6) 0.0136(4) 0.9360(5) 1 0.0544(19)
H7 ? ? 0.3541 -0.0332 0.9585 1 0.065
C8 ? ? 0.3624(5) 0.0281(3) 0.8590(4) 1 0.0426(16)
H8 ? ? 0.3860 -0.0095 0.8297 1 0.051
C9 ? ? 0.3392(5) 0.0410(3) 0.6563(4) 1 0.0366(14)
C10 ? ? 0.2594(5) -0.0051(4) 0.6683(5) 1 0.0484(17)
H10 ? ? 0.2305 0.0013 0.7146 1 0.058
C11 ? ? 0.2228(6) -0.0605(4) 0.6115(6) 1 0.062(2)
H11 ? ? 0.1704 -0.0917 0.6207 1 0.074
C12 ? ? 0.2627(7) -0.0699(4) 0.5423(5) 1 0.068(2)
H12 ? ? 0.2377 -0.1074 0.5048 1 0.082
C13 ? ? 0.3395(6) -0.0242(4) 0.5281(5) 1 0.063(2)
H13 ? ? 0.3668 -0.0303 0.4809 1 0.076
C14 ? ? 0.3767(5) 0.0316(4) 0.5848(4) 1 0.0496(17)
H14 ? ? 0.4278 0.0633 0.5744 1 0.059
C23 ? ? 0.0713(4) 0.1358(3) 0.6408(4) 1 0.0346(14)
C24 ? ? 0.0799(5) 0.1313(4) 0.7272(4) 1 0.0438(16)
H16 ? ? 0.1168 0.1669 0.7627 1 0.053
C25 ? ? 0.0339(5) 0.0746(4) 0.7593(4) 1 0.0505(18)
H17 ? ? 0.0384 0.0724 0.8167 1 0.061
C26 ? ? -0.0187(6) 0.0208(4) 0.7084(5) 1 0.057(2)
H18 ? ? -0.0478 -0.0184 0.7313 1 0.068
C27 ? ? -0.0282(5) 0.0250(4) 0.6236(5) 1 0.0518(18)
H19 ? ? -0.0661 -0.0106 0.5889 1 0.062
C28 ? ? 0.0178(5) 0.0814(4) 0.5888(4) 1 0.0483(17)
H20 ? ? 0.0130 0.0830 0.5313 1 0.058
C17 ? ? 0.1267(5) 0.1949(4) 0.4921(4) 1 0.0392(14)
C22 ? ? 0.2110(6) 0.1632(4) 0.4666(5) 1 0.060(2)
H22 ? ? 0.2717 0.1511 0.5063 1 0.072
C21 ? ? 0.2056(8) 0.1495(5) 0.3836(5) 1 0.072(2)
H23 ? ? 0.2621 0.1286 0.3665 1 0.086
C20 ? ? 0.1133(9) 0.1676(5) 0.3251(5) 1 0.074(3)
H24 ? ? 0.1083 0.1579 0.2686 1 0.089
C19 ? ? 0.0317(8) 0.1987(5) 0.3489(5) 1 0.079(3)
H25 ? ? -0.0286 0.2111 0.3088 1 0.095
C18 ? ? 0.0372(7) 0.2124(5) 0.4323(5) 1 0.063(2)
H26 ? ? -0.0198 0.2335 0.4485 1 0.076
C29 ? ? 0.0497(5) 0.2887(3) 0.6026(4) 1 0.0386(15)
C34 ? ? -0.0518(5) 0.2796(4) 0.6159(4) 1 0.0471(17)
H28 ? ? -0.0759 0.2335 0.6264 1 0.056
C33 ? ? -0.1154(6) 0.3402(5) 0.6132(5) 1 0.062(2)
H29 ? ? -0.1828 0.3344 0.6220 1 0.075
C32 ? ? -0.0823(6) 0.4080(4) 0.5978(5) 1 0.062(2)
H30 ? ? -0.1265 0.4481 0.5963 1 0.075
C31 ? ? 0.0164(6) 0.4170(4) 0.5847(5) 1 0.056(2)
H31 ? ? 0.0391 0.4633 0.5734 1 0.067
C30 ? ? 0.0821(5) 0.3583(4) 0.5880(4) 1 0.0482(17)
H32 ? ? 0.1498 0.3654 0.5803 1 0.058
C15 ? ? 0.5356(7) 0.3380(7) 0.6490(12) 1 0.199(10)
H33A ? ? 0.4970 0.3828 0.6360 1 0.299
H33B ? ? 0.5307 0.3102 0.5985 1 0.299
H33C ? ? 0.6081 0.3489 0.6733 1 0.299
C16 ? ? 0.4901(8) 0.3379(7) 0.8229(10) 1 0.182(9)
H34A ? ? 0.5629 0.3474 0.8476 1 0.273
H34B ? ? 0.4597 0.3109 0.8616 1 0.273
H34C ? ? 0.4534 0.3833 0.8097 1 0.273
B6 ? ? 0.5904(6) 0.1473(5) 0.6768(5) 1 0.051(2)
H3 ? ? 0.5491 0.1573 0.6113 1 0.061
B11 ? ? 0.6979(7) 0.2005(6) 0.7278(7) 1 0.066(3)
H4A ? ? 0.7291 0.2449 0.6952 1 0.080
B7 ? ? 0.6926(6) 0.2082(6) 0.8324(6) 1 0.063(3)
H5A ? ? 0.7194 0.2581 0.8685 1 0.076
B3 ? ? 0.5826(6) 0.1574(6) 0.8487(5) 1 0.058(2)
H6A ? ? 0.5372 0.1731 0.8948 1 0.069
B5 ? ? 0.6076(6) 0.0584(5) 0.7192(5) 1 0.0465(19)
H7A ? ? 0.5792 0.0097 0.6814 1 0.056
B10 ? ? 0.7179(7) 0.1089(6) 0.7046(7) 1 0.068(3)
H8A ? ? 0.7615 0.0930 0.6574 1 0.082
B12 ? ? 0.7814(6) 0.1466(6) 0.8039(6) 1 0.067(3)
H9 ? ? 0.8671 0.1548 0.8219 1 0.080
B8 ? ? 0.7096(7) 0.1216(6) 0.8769(6) 1 0.067(3)
H10A ? ? 0.7487 0.1142 0.9433 1 0.081
B4 ? ? 0.6026(6) 0.0648(5) 0.8266(5) 1 0.051(2)
H11A ? ? 0.5713 0.0201 0.8586 1 0.061
B9 ? ? 0.7265(6) 0.0588(5) 0.7992(6) 1 0.062(3)
H12A ? ? 0.7764 0.0100 0.8141 1 0.075
H35 ? ? 0.3038 0.3153 0.6581 1 0.09(3)