#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/17/4061787.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_4061787
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0506825
_journal_year                    2005
_chemical_formula_sum            'C74 H79 Cl Os P2'
_chemical_formula_weight         1255.96
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.0920(10)
_cell_angle_beta                 102.2250(10)
_cell_angle_gamma                102.1170(10)
_cell_formula_units_Z            2
_cell_length_a                   11.9851(8)
_cell_length_b                   15.2813(11)
_cell_length_c                   17.9470(13)
_cell_measurement_temperature    100(2)
_cell_volume                     3124.2(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.335
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               4061787
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Os1 Os 0.421010(8) 0.639657(6) 0.327041(5) 0.01210(4) Uani 1 1 d . . .
Cl1 Cl 0.49096(5) 0.63828(4) 0.46584(3) 0.01840(13) Uani 1 1 d . . .
P1 P 0.61900(5) 0.68068(4) 0.31587(4) 0.01369(13) Uani 1 1 d . . .
P2 P 0.22534(5) 0.60146(4) 0.34095(4) 0.01417(13) Uani 1 1 d . . .
C1 C 0.4139(2) 0.47885(16) 0.28705(14) 0.0162(5) Uani 1 1 d . . .
H1A H 0.4308 0.5046 0.3393 0.019 Uiso 1 1 d R . .
H1B H 0.4818 0.4610 0.2768 0.019 Uiso 1 1 d R . .
H1C H 0.3508 0.4264 0.2791 0.019 Uiso 1 1 d R . .
C2 C 0.3807(2) 0.54697(16) 0.23472(14) 0.0146(5) Uani 1 1 d . . .
C3 C 0.3421(2) 0.53755(17) 0.15880(15) 0.0186(5) Uani 1 1 d . . .
H3A H 0.3257 0.5900 0.1370 0.022 Uiso 1 1 calc R . .
C4 C 0.3204(2) 0.45447(18) 0.10186(15) 0.0223(6) Uani 1 1 d . . .
C5 C 0.2032(3) 0.3911(2) 0.1022(2) 0.0558(11) Uani 1 1 d . . .
H5A H 0.2061 0.3700 0.1530 0.084 Uiso 1 1 calc R . .
H5B H 0.1884 0.3394 0.0638 0.084 Uiso 1 1 calc R . .
H5C H 0.1400 0.4233 0.0900 0.084 Uiso 1 1 calc R . .
C6 C 0.3160(3) 0.4863(2) 0.02241(17) 0.0414(8) Uani 1 1 d . . .
H6A H 0.3031 0.4343 -0.0154 0.062 Uiso 1 1 calc R . .
H6B H 0.3904 0.5277 0.0223 0.062 Uiso 1 1 calc R . .
H6C H 0.2518 0.5172 0.0092 0.062 Uiso 1 1 calc R . .
C7 C 0.4170(3) 0.4030(2) 0.11929(17) 0.0361(8) Uani 1 1 d . . .
H7A H 0.4199 0.3809 0.1698 0.054 Uiso 1 1 calc R . .
H7B H 0.4924 0.4430 0.1192 0.054 Uiso 1 1 calc R . .
H7C H 0.4009 0.3519 0.0801 0.054 Uiso 1 1 calc R . .
C11 C 0.3737(2) 0.72503(16) 0.24214(14) 0.0160(5) Uani 1 1 d . . .
H11A H 0.4283 0.7423 0.2083 0.019 Uiso 1 1 calc R . .
H11B H 0.2899 0.7135 0.2158 0.019 Uiso 1 1 calc R . .
C12 C 0.4065(2) 0.76976(16) 0.31809(15) 0.0163(5) Uani 1 1 d . . .
C13 C 0.4184(2) 0.84802(17) 0.35746(16) 0.0214(6) Uani 1 1 d . . .
H13A H 0.4430 0.8499 0.4116 0.026 Uiso 1 1 calc R . .
C14 C 0.3977(3) 0.93524(18) 0.32686(16) 0.0267(6) Uani 1 1 d . . .
C15 C 0.3545(5) 0.9252(2) 0.2402(2) 0.0688(14) Uani 1 1 d . . .
H15A H 0.4137 0.9073 0.2162 0.103 Uiso 1 1 calc R . .
H15B H 0.3408 0.9827 0.2233 0.103 Uiso 1 1 calc R . .
H15C H 0.2812 0.8791 0.2252 0.103 Uiso 1 1 calc R . .
C16 C 0.3046(4) 0.9642(3) 0.3614(3) 0.0701(14) Uani 1 1 d . . .
H16A H 0.3302 0.9712 0.4175 0.105 Uiso 1 1 calc R . .
H16B H 0.2311 0.9184 0.3457 0.105 Uiso 1 1 calc R . .
H16C H 0.2923 1.0216 0.3436 0.105 Uiso 1 1 calc R . .
C17 C 0.5106(4) 1.0063(2) 0.3501(3) 0.0861(18) Uani 1 1 d . . .
H17A H 0.5394 1.0117 0.4058 0.129 Uiso 1 1 calc R . .
H17B H 0.4965 1.0642 0.3342 0.129 Uiso 1 1 calc R . .
H17C H 0.5693 0.9892 0.3251 0.129 Uiso 1 1 calc R . .
C21 C 0.6412(2) 0.73114(17) 0.22854(14) 0.0157(5) Uani 1 1 d . . .
C22 C 0.5989(2) 0.67941(17) 0.15782(15) 0.0185(5) Uani 1 1 d . . .
H22A H 0.5605 0.6179 0.1555 0.022 Uiso 1 1 calc R . .
C23 C 0.6125(2) 0.7171(2) 0.09119(16) 0.0250(6) Uani 1 1 d . . .
H23A H 0.5842 0.6810 0.0434 0.030 Uiso 1 1 calc R . .
C24 C 0.6668(3) 0.8064(2) 0.09316(17) 0.0298(7) Uani 1 1 d . . .
H24A H 0.6758 0.8318 0.0470 0.036 Uiso 1 1 calc R . .
C25 C 0.7079(3) 0.8589(2) 0.16273(17) 0.0325(7) Uani 1 1 d . . .
H25A H 0.7450 0.9206 0.1644 0.039 Uiso 1 1 calc R . .
C26 C 0.6953(2) 0.82191(18) 0.23022(16) 0.0229(6) Uani 1 1 d . . .
H26A H 0.7235 0.8584 0.2778 0.027 Uiso 1 1 calc R . .
C31 C 0.6929(2) 0.58696(16) 0.31701(14) 0.0143(5) Uani 1 1 d . . .
C32 C 0.7509(2) 0.56629(17) 0.26118(15) 0.0186(5) Uani 1 1 d . . .
H32A H 0.7511 0.6002 0.2183 0.022 Uiso 1 1 calc R . .
C33 C 0.8086(2) 0.49626(18) 0.26804(16) 0.0228(6) Uani 1 1 d . . .
H33A H 0.8488 0.4830 0.2301 0.027 Uiso 1 1 calc R . .
C34 C 0.8080(2) 0.44589(18) 0.32937(16) 0.0220(6) Uani 1 1 d . . .
H34A H 0.8467 0.3975 0.3332 0.026 Uiso 1 1 calc R . .
C35 C 0.7507(2) 0.46596(18) 0.38562(15) 0.0213(6) Uani 1 1 d . . .
H35A H 0.7512 0.4320 0.4284 0.026 Uiso 1 1 calc R . .
C36 C 0.6930(2) 0.53573(17) 0.37888(15) 0.0187(5) Uani 1 1 d . . .
H36A H 0.6530 0.5488 0.4170 0.022 Uiso 1 1 calc R . .
C41 C 0.7271(2) 0.76047(16) 0.38996(14) 0.0159(5) Uani 1 1 d . . .
C42 C 0.6937(2) 0.81498(18) 0.44129(16) 0.0232(6) Uani 1 1 d . . .
H42A H 0.6131 0.8096 0.4405 0.028 Uiso 1 1 calc R . .
C43 C 0.7788(3) 0.8778(2) 0.49421(17) 0.0323(7) Uani 1 1 d . . .
H43A H 0.7556 0.9144 0.5299 0.039 Uiso 1 1 calc R . .
C44 C 0.8956(3) 0.8875(2) 0.49535(16) 0.0309(7) Uani 1 1 d . . .
H44A H 0.9526 0.9313 0.5311 0.037 Uiso 1 1 calc R . .
C45 C 0.9302(2) 0.83351(19) 0.44447(16) 0.0263(6) Uani 1 1 d . . .
H45A H 1.0110 0.8398 0.4452 0.032 Uiso 1 1 calc R . .
C46 C 0.8464(2) 0.77019(18) 0.39242(16) 0.0231(6) Uani 1 1 d . . .
H46A H 0.8703 0.7327 0.3578 0.028 Uiso 1 1 calc R . .
C51 C 0.1158(2) 0.63226(17) 0.26479(14) 0.0170(5) Uani 1 1 d . . .
C52 C 0.0672(2) 0.70553(18) 0.27806(16) 0.0212(6) Uani 1 1 d . . .
H52A H 0.0883 0.7380 0.3275 0.025 Uiso 1 1 calc R . .
C53 C -0.0116(2) 0.7313(2) 0.21973(17) 0.0279(6) Uani 1 1 d . . .
H53A H -0.0438 0.7814 0.2293 0.033 Uiso 1 1 calc R . .
C54 C -0.0434(2) 0.6842(2) 0.14763(17) 0.0309(7) Uani 1 1 d . . .
H54A H -0.0991 0.7007 0.1081 0.037 Uiso 1 1 calc R . .
C55 C 0.0062(2) 0.6132(2) 0.13337(16) 0.0270(6) Uani 1 1 d . . .
H55A H -0.0148 0.5812 0.0837 0.032 Uiso 1 1 calc R . .
C56 C 0.0866(2) 0.58820(19) 0.19105(15) 0.0224(6) Uani 1 1 d . . .
H56A H 0.1222 0.5405 0.1801 0.027 Uiso 1 1 calc R . .
C61 C 0.1753(2) 0.48009(17) 0.34651(14) 0.0158(5) Uani 1 1 d . . .
C62 C 0.0854(2) 0.42185(17) 0.29394(15) 0.0199(6) Uani 1 1 d . . .
H62A H 0.0408 0.4448 0.2524 0.024 Uiso 1 1 calc R . .
C63 C 0.0598(2) 0.33052(18) 0.30140(16) 0.0232(6) Uani 1 1 d . . .
H63A H -0.0016 0.2913 0.2646 0.028 Uiso 1 1 calc R . .
C64 C 0.1225(2) 0.29621(18) 0.36178(16) 0.0218(6) Uani 1 1 d . . .
H64A H 0.1049 0.2334 0.3664 0.026 Uiso 1 1 calc R . .
C65 C 0.2114(2) 0.35333(18) 0.41573(15) 0.0207(6) Uani 1 1 d . . .
H65A H 0.2540 0.3301 0.4580 0.025 Uiso 1 1 calc R . .
C66 C 0.2381(2) 0.44510(17) 0.40779(14) 0.0185(5) Uani 1 1 d . . .
H66A H 0.2996 0.4842 0.4445 0.022 Uiso 1 1 calc R . .
C71 C 0.1876(2) 0.64743(17) 0.42651(14) 0.0160(5) Uani 1 1 d . . .
C72 C 0.0800(2) 0.60936(18) 0.44304(15) 0.0192(5) Uani 1 1 d . . .
H72A H 0.0298 0.5579 0.4121 0.023 Uiso 1 1 calc R . .
C73 C 0.0466(2) 0.64681(18) 0.50472(15) 0.0220(6) Uani 1 1 d . . .
H73A H -0.0264 0.6207 0.5160 0.026 Uiso 1 1 calc R . .
C74 C 0.1191(2) 0.72174(18) 0.54966(15) 0.0221(6) Uani 1 1 d . . .
H74A H 0.0956 0.7474 0.5915 0.026 Uiso 1 1 calc R . .
C75 C 0.2260(2) 0.75957(18) 0.53396(15) 0.0203(6) Uani 1 1 d . . .
H75A H 0.2760 0.8108 0.5654 0.024 Uiso 1 1 calc R . .
C76 C 0.2604(2) 0.72266(17) 0.47219(15) 0.0188(5) Uani 1 1 d . . .
H76A H 0.3337 0.7489 0.4613 0.023 Uiso 1 1 calc R . .
C1S C 0.8432(3) 0.1195(2) 0.2092(2) 0.0514(10) Uani 1 1 d . . .
H1SA H 0.8024 0.1561 0.1776 0.062 Uiso 1 1 calc R . .
C2S C 0.9373(4) 0.0933(2) 0.1894(2) 0.0529(10) Uani 1 1 d . . .
H2SA H 0.9617 0.1122 0.1447 0.063 Uiso 1 1 calc R . .
C3S C 0.9960(3) 0.0397(3) 0.2348(2) 0.0484(9) Uani 1 1 d . . .
H3SA H 1.0608 0.0214 0.2214 0.058 Uiso 1 1 calc R . .
C4S C 0.9601(3) 0.0127(2) 0.3001(2) 0.0427(8) Uani 1 1 d . . .
H4SA H 1.0003 -0.0242 0.3315 0.051 Uiso 1 1 calc R . .
C5S C 0.8665(3) 0.0393(2) 0.31947(19) 0.0424(8) Uani 1 1 d . . .
H5SA H 0.8423 0.0205 0.3643 0.051 Uiso 1 1 calc R . .
C6S C 0.8076(3) 0.0929(2) 0.2747(2) 0.0439(9) Uani 1 1 d . . .
H6SA H 0.7433 0.1115 0.2885 0.053 Uiso 1 1 calc R . .
C11S C 0.4980(5) 0.2020(3) 0.2058(3) 0.0677(14) Uani 1 1 d . . .
H11C H 0.5369 0.1885 0.1672 0.081 Uiso 1 1 calc R . .
C12S C 0.5584(3) 0.2463(2) 0.2728(3) 0.0506(10) Uani 1 1 d . . .
H12A H 0.6411 0.2658 0.2810 0.061 Uiso 1 1 calc R . .
C13S C 0.5074(4) 0.2642(2) 0.3281(2) 0.0489(9) Uani 1 1 d . . .
H13B H 0.5542 0.2954 0.3753 0.059 Uiso 1 1 calc R . .
C14S C 0.3941(4) 0.2400(2) 0.3198(3) 0.0565(11) Uani 1 1 d . . .
H14A H 0.3611 0.2538 0.3614 0.068 Uiso 1 1 calc R . .
C15S C 0.3236(4) 0.1973(3) 0.2559(4) 0.0799(17) Uani 1 1 d . . .
H15D H 0.2413 0.1814 0.2516 0.096 Uiso 1 1 calc R . .
C16S C 0.3720(7) 0.1749(3) 0.1930(3) 0.107(3) Uani 1 1 d . . .
H16D H 0.3243 0.1442 0.1459 0.128 Uiso 1 1 calc R . .
C21S C 0.2513(4) 0.6853(2) 0.8985(2) 0.0529(10) Uani 1 1 d . . .
H21A H 0.2646 0.6644 0.8510 0.064 Uiso 1 1 calc R . .
C22S C 0.3435(3) 0.7237(2) 0.9572(2) 0.0438(9) Uani 1 1 d . . .
H22B H 0.4212 0.7296 0.9506 0.053 Uiso 1 1 calc R . .
C23S C 0.3253(3) 0.7541(2) 1.02577(19) 0.0401(8) Uani 1 1 d . . .
H23B H 0.3904 0.7807 1.0666 0.048 Uiso 1 1 calc R . .
C24S C 0.2133(3) 0.7463(2) 1.03591(19) 0.0372(8) Uani 1 1 d . . .
H24B H 0.2008 0.7670 1.0837 0.045 Uiso 1 1 calc R . .
C25S C 0.1196(3) 0.7084(3) 0.9765(2) 0.0533(10) Uani 1 1 d . . .
H25B H 0.0418 0.7040 0.9825 0.064 Uiso 1 1 calc R . .
C26S C 0.1389(4) 0.6766(3) 0.9077(2) 0.0625(12) Uani 1 1 d . . .
H26B H 0.0744 0.6488 0.8670 0.075 Uiso 1 1 calc R . .
C31S C 0.8894(4) 0.9505(4) -0.0157(3) 0.0858(17) Uani 1 1 d . . .
H31A H 0.8112 0.9156 -0.0265 0.103 Uiso 1 1 calc R . .
C32S C 0.9763(5) 0.9225(3) 0.0319(3) 0.0765(14) Uani 1 1 d . . .
H32B H 0.9592 0.8675 0.0540 0.092 Uiso 1 1 calc R . .
C33S C 1.0854(4) 0.9723(4) 0.0475(3) 0.0812(16) Uani 1 1 d . . .
H33B H 1.1459 0.9531 0.0813 0.097 Uiso 1 1 calc R . .
C41S C 0.6187(3) 1.0248(2) 0.02945(19) 0.0426(8) Uani 1 1 d . . .
H41A H 0.7011 1.0416 0.0496 0.051 Uiso 1 1 calc R . .
C42S C 0.5746(3) 1.0111(2) -0.04881(19) 0.0414(8) Uani 1 1 d . . .
H42B H 0.6265 1.0192 -0.0825 0.050 Uiso 1 1 calc R . .
H43B H 0.5759 1.0243 0.1327 0.050 Uiso 1 1 d R . .
C43A C 0.5441(3) 1.0142(2) 0.07801(18) 0.0381(8) Uani 1 1 d . . .
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
Os1 C2 2.026(2) . ?
Os1 C12 2.044(2) . ?
Os1 C11 2.122(2) . ?
Os1 P2 2.3646(6) . ?
Os1 P1 2.3780(6) . ?
Os1 Cl1 2.4570(6) . ?
Os1 C1 2.501(2) . ?
P1 C21 1.828(3) . ?
P1 C31 1.834(2) . ?
P1 C41 1.835(3) . ?
P2 C71 1.835(2) . ?
P2 C51 1.839(3) . ?
P2 C61 1.841(3) . ?
C1 C2 1.498(3) . ?
C2 C3 1.332(4) . ?
C3 C4 1.527(3) . ?
C4 C7 1.521(4) . ?
C4 C6 1.525(4) . ?
C4 C5 1.531(4) . ?
C11 C12 1.428(3) . ?
C12 C13 1.321(3) . ?
C13 C14 1.516(4) . ?
C14 C17 1.510(5) . ?
C14 C16 1.516(4) . ?
C14 C15 1.520(4) . ?
C21 C22 1.394(3) . ?
C21 C26 1.398(4) . ?
C22 C23 1.380(4) . ?
C23 C24 1.379(4) . ?
C24 C25 1.382(4) . ?
C25 C26 1.388(4) . ?
C31 C36 1.393(3) . ?
C31 C32 1.393(3) . ?
C32 C33 1.388(4) . ?
C33 C34 1.377(4) . ?
C34 C35 1.390(4) . ?
C35 C36 1.385(4) . ?
C41 C42 1.384(4) . ?
C41 C46 1.397(4) . ?
C42 C43 1.394(4) . ?
C43 C44 1.371(4) . ?
C44 C45 1.382(4) . ?
C45 C46 1.384(4) . ?
C51 C56 1.391(4) . ?
C51 C52 1.398(4) . ?
C52 C53 1.387(4) . ?
C53 C54 1.383(4) . ?
C54 C55 1.379(4) . ?
C55 C56 1.386(4) . ?
C61 C62 1.386(4) . ?
C61 C66 1.394(4) . ?
C62 C63 1.385(4) . ?
C63 C64 1.377(4) . ?
C64 C65 1.384(4) . ?
C65 C66 1.393(4) . ?
C71 C76 1.389(4) . ?
C71 C72 1.398(3) . ?
C72 C73 1.389(4) . ?
C73 C74 1.379(4) . ?
C74 C75 1.383(4) . ?
C75 C76 1.394(4) . ?
C1S C2S 1.379(5) . ?
C1S C6S 1.386(5) . ?
C2S C3S 1.379(5) . ?
C3S C4S 1.385(5) . ?
C4S C5S 1.373(5) . ?
C5S C6S 1.375(5) . ?
C11S C12S 1.328(6) . ?
C11S C16S 1.444(8) . ?
C12S C13S 1.317(5) . ?
C13S C14S 1.304(5) . ?
C14S C15S 1.316(7) . ?
C15S C16S 1.430(8) . ?
C21S C22S 1.358(5) . ?
C21S C26S 1.371(6) . ?
C22S C23S 1.368(5) . ?
C23S C24S 1.374(4) . ?
C24S C25S 1.374(5) . ?
C25S C26S 1.384(5) . ?
C31S C33S 1.343(7) 2_775 ?
C31S C32S 1.359(7) . ?
C32S C33S 1.331(7) . ?
C33S C31S 1.343(7) 2_775 ?
C41S C43A 1.368(5) . ?
C41S C42S 1.380(5) . ?
C42S C43A 1.370(5) 2_675 ?
C43A C42S 1.370(5) 2_675 ?
