#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005359.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_2005359
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first  2193
_journal_page_last  2196
_publ_section_title
;
Bis[1,2-bis(diphenylphosphino)ethane-P,P']chloroosmium(II)
Hexafluorophosphate Dichoromethane Solvate
;
_chemical_formula_iupac  '[Os Cl (C26 H24 P2)2] P F6, 1.5C H2 Cl2'
_chemical_formula_moiety  '[Os Cl (C26 H24 P2)2] P F6, 1.5C H2 Cl2'
_chemical_formula_sum            'C53.5 H51 Cl4 F6 Os P5'
_[local]_cod_chemical_formula_sum_orig 'C53.50 H51 Cl4 F6 Os P5'
_chemical_formula_weight  1294.79
_symmetry_cell_setting  Monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
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'
_cell_length_a  12.298(1)
_cell_length_b  15.685(2)
_cell_length_c  27.851(4)
_cell_angle_alpha  90.00
_cell_angle_beta  100.51(1)
_cell_angle_gamma  90.00
_cell_volume  5282.2(11)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.628
_cell_measurement_temperature  150(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Os 1 -0.235336(14) -0.181395(11) -0.170932(6) 0.01917(5)
 Cl 1 -0.30626(9) -0.29993(7) -0.21993(4) 0.0300(3)
 P1 1 -0.17897(9) -0.17684(8) -0.08976(4) 0.0220(2)
 P2 1 -0.05459(10) -0.23705(7) -0.16437(4) 0.0206(2)
 P3 1 -0.19586(10) -0.04298(8) -0.18213(5) 0.0248(3)
 P4 1 -0.41316(10) -0.12145(8) -0.17523(4) 0.0242(3)
 C1 1 -0.0296(4) -0.1553(3) -0.0731(2) 0.0256(10)
 H1A 1 -0.0003 -0.1842 -0.0431 0.039(2)
 H1B 1 -0.0191 -0.0952 -0.0676 0.039(2)
 C2 1 0.0342(4) -0.1832(3) -0.1130(2) 0.0241(9)
 H2A 1 0.0673 -0.1341 -0.1251 0.039(2)
 H2B 1 0.0926 -0.2211 -0.0989 0.039(2)
 C3 1 -0.1948(4) -0.2812(3) -0.0616(2) 0.0253(10)
 C4 1 -0.2491(4) -0.3491(3) -0.0871(2) 0.0306(11)
 H4A 1 -0.2791 -0.3425 -0.1212 0.039(2)
 C5 1 -0.2592(5) -0.4259(4) -0.0644(2) 0.0415(13)
 H5A 1 -0.2973 -0.4724 -0.0826 0.039(2)
 C6 1 -0.2164(5) -0.4364(4) -0.0153(2) 0.0437(14)
 H6A 1 -0.2226 -0.4899 0.0008 0.039(2)
 C7 1 -0.1624(5) -0.3695(4) 0.0107(2) 0.0417(14)
 H7A 1 -0.1347 -0.3754 0.0450 0.039(2)
 C8 1 -0.1511(4) -0.2926(3) -0.0120(2) 0.0322(12)
 H8A 1 -0.1115 -0.2469 0.0063 0.039(2)
 C9 1 -0.2411(4) -0.1097(3) -0.0485(2) 0.0266(10)
 C10 1 -0.3382(4) -0.1383(3) -0.0348(2) 0.0310(11)
 H10A 1 -0.3684 -0.1922 -0.0468 0.039(2)
 C11 1 -0.3907(4) -0.0903(4) -0.0043(2) 0.0388(13)
 H11A 1 -0.4583 -0.1109 0.0042 0.039(2)
 C12 1 -0.3469(5) -0.0137(4) 0.0134(2) 0.0422(14)
 H12A 1 -0.3836 0.0197 0.0345 0.039(2)
 C13 1 -0.2507(5) 0.0159(3) 0.0003(2) 0.0388(13)
 H13A 1 -0.2183 0.0685 0.0135 0.039(2)
 C14 1 -0.1978(4) -0.0317(3) -0.0309(2) 0.0310(11)
 H14A 1 -0.1324 -0.0102 -0.0409 0.039(2)
 C15 1 -0.0385(4) -0.3503(3) -0.1498(2) 0.0216(9)
 C16 1 -0.0739(4) -0.4109(3) -0.1861(2) 0.0294(11)
 H16A 1 -0.1007 -0.3928 -0.2191 0.039(2)
 C17 1 -0.0704(4) -0.4973(3) -0.1745(2) 0.0381(13)
 H17A 1 -0.0945 -0.5391 -0.1994 0.039(2)
 C18 1 -0.0319(5) -0.5239(3) -0.1274(2) 0.0423(14)
 H18A 1 -0.0307 -0.5835 -0.1197 0.039(2)
 C19 1 0.0049(5) -0.4650(3) -0.0912(2) 0.0374(13)
 H19A 1 0.0322 -0.4837 -0.0584 0.039(2)
 C20 1 0.0025(4) -0.3778(3) -0.1021(2) 0.0299(11)
 H20A 1 0.0291 -0.3366 -0.0773 0.039(2)
 C21 1 0.0147(4) -0.2273(3) -0.2166(2) 0.0235(10)
 C22 1 0.1276(4) -0.2084(3) -0.2097(2) 0.0302(11)
 H22A 1 0.1676 -0.1975 -0.1773 0.039(2)
 C23 1 0.1805(5) -0.2044(3) -0.2496(2) 0.0384(13)
 H23A 1 0.2579 -0.1909 -0.2447 0.039(2)
 C24 1 0.1232(5) -0.2200(3) -0.2959(2) 0.0371(13)
 H24A 1 0.1606 -0.2182 -0.3232 0.039(2)
 C25 1 0.0113(5) -0.2395(3) -0.3027(2) 0.0342(12)
 H25A 1 -0.0294 -0.2499 -0.3350 0.039(2)
 C26 1 -0.0428(4) -0.2423(3) -0.2632(2) 0.0273(10)
 H26A 1 -0.1202 -0.2556 -0.2678 0.039(2)
 C27 1 -0.2941(4) 0.0308(3) -0.1610(2) 0.0376(13)
 H27A 1 -0.3186 0.0723 -0.1860 0.039(2)
 H27B 1 -0.2566 0.0605 -0.1326 0.039(2)
 C28 1 -0.3946(4) -0.0150(3) -0.1479(2) 0.0294(11)
 H28A 1 -0.3861 -0.0199 -0.1130 0.039(2)
 H28B 1 -0.4598 0.0182 -0.1592 0.039(2)
 C29 1 -0.2189(4) -0.0229(3) -0.2481(2) 0.0284(11)
 C30 1 -0.2527(4) -0.0880(3) -0.2813(2) 0.0325(12)
 H30A 1 -0.2668 -0.1437 -0.2695 0.039(2)
 C31 1 -0.2663(5) -0.0726(4) -0.3309(2) 0.0441(13)
 H31A 1 -0.2883 -0.1180 -0.3537 0.039(2)
 C32 1 -0.2483(5) 0.0076(4) -0.3478(2) 0.048(2)
 H32A 1 -0.2578 0.0179 -0.3823 0.039(2)
 C33 1 -0.2168(5) 0.0730(4) -0.3153(2) 0.051(2)
 H33A 1 -0.2046 0.1289 -0.3272 0.039(2)
 C34 1 -0.2012(4) 0.0575(3) -0.2655(2) 0.0393(14)
 H34A 1 -0.1790 0.1031 -0.2428 0.039(2)
 C35 1 -0.0602(4) 0.0069(3) -0.1636(2) 0.0260(10)
 C36 1 -0.0329(5) 0.0566(3) -0.1211(2) 0.0366(13)
 H36A 1 -0.0881 0.0681 -0.1017 0.039(2)
 C37 1 0.0738(5) 0.0855(4) -0.1068(2) 0.0462(15)
 H37A 1 0.0933 0.1184 -0.0774 0.039(2)
 C38 1 0.1529(5) 0.0692(4) -0.1348(2) 0.046(2)
 H38A 1 0.2269 0.0902 -0.1251 0.039(2)
 C39 1 0.1265(4) 0.0225(4) -0.1774(2) 0.0391(13)
 H39A 1 0.1815 0.0111 -0.1970 0.039(2)
 C40 1 0.0205(4) -0.0078(3) -0.1916(2) 0.0290(11)
 H40A 1 0.0020 -0.0402 -0.2212 0.039(2)
 C41 1 -0.4973(4) -0.1055(3) -0.2359(2) 0.0279(11)
 C42 1 -0.5310(4) -0.1770(3) -0.2646(2) 0.0291(10)
 H42A 1 -0.5080 -0.2327 -0.2525 0.039(2)
 C43 1 -0.5971(4) -0.1687(3) -0.3104(2) 0.0322(11)
 H43A 1 -0.6197 -0.2181 -0.3300 0.039(2)
 C44 1 -0.6287(6) -0.0895(4) -0.3279(2) 0.054(2)
 H44A 1 -0.6763 -0.0839 -0.3592 0.039(2)
 C45 1 -0.5961(8) -0.0184(4) -0.3004(2) 0.079(3)
 H45A 1 -0.6172 0.0369 -0.3137 0.039(2)
 C46 1 -0.5288(6) -0.0258(4) -0.2543(2) 0.057(2)
 H46A 1 -0.5053 0.0239 -0.2351 0.039(2)
 C47 1 -0.5097(4) -0.1748(3) -0.1429(2) 0.0282(10)
 C48 1 -0.5046(5) -0.2629(4) -0.1379(2) 0.0446(14)
 H48A 1 -0.4525 -0.2946 -0.1527 0.039(2)
 C49 1 -0.5734(5) -0.3050(4) -0.1112(2) 0.052(2)
 H49A 1 -0.5692 -0.3659 -0.1084 0.039(2)
 C50 1 -0.6460(5) -0.2608(5) -0.0895(2) 0.052(2)
 H50A 1 -0.6917 -0.2900 -0.0703 0.039(2)
 C51 1 -0.6544(4) -0.1739(5) -0.0954(2) 0.050(2)
 H51A 1 -0.7077 -0.1421 -0.0815 0.039(2)
 C52 1 -0.5872(4) -0.1302(4) -0.1218(2) 0.0366(13)
 H52A 1 -0.5919 -0.0693 -0.1254 0.039(2)
 P5 1 -0.19826(15) -0.74099(10) -0.04815(5) 0.0449(4)
 F1 1 -0.2782(4) -0.6615(3) -0.0585(2) 0.091(2)
 F2 1 -0.1183(3) -0.8222(3) -0.03769(13) 0.0655(11)
 F3 0.68(3) -0.1467(14) -0.7032(7) 0.0020(4) 0.092(5)
 F4 0.68(3) -0.1067(9) -0.7051(7) -0.0749(5) 0.093(4)
 F5 0.68(3) -0.2938(11) -0.7847(5) -0.0236(4) 0.073(3)
 F6 0.68(3) -0.2563(9) -0.7853(7) -0.0994(3) 0.064(3)
 F3* 0.32(3) -0.1052(16) -0.6738(17) -0.0172(12) 0.090(8)
 F4* 0.32(3) -0.168(4) -0.7037(18) -0.0952(10) 0.133(15)
 F5* 0.32(3) -0.223(3) -0.7682(11) 0.0021(10) 0.082(11)
 F6* 0.32(3) -0.278(2) -0.8007(15) -0.0756(14) 0.094(12)
 C2S 0.50 -0.4861(15) -0.5785(10) -0.0036(4) 0.076(5)
 H2SA 0.50 -0.5424 -0.6156 0.0053 0.115
 H3SA 0.50 -0.4186 -0.6113 -0.0018 0.115
 Cl3 0.50 -0.4632(5) -0.4935(4) 0.0364(2) 0.111(2)
 Cl4 0.50 -0.5299(4) -0.5398(4) -0.0638(2) 0.0880(14)
 C1S 0.75 -0.4579(10) -0.2622(10) -0.4000(4) 0.079(4)
 H1SA 0.75 -0.4938 -0.2098 -0.3929 0.119
 H1SB 0.75 -0.5120 -0.2968 -0.4211 0.119
 Cl1 0.75 -0.4101(2) -0.3174(2) -0.34524(13) 0.0727(7)
 Cl2 0.75 -0.3472(4) -0.2382(2) -0.43007(14) 0.0876(12)
 C1S* 0.25 -0.488(3) -0.238(3) -0.4186(11) 0.079(13)
 H1SC 0.25 -0.5495 -0.2607 -0.4416 0.118
 H1SD 0.25 -0.5168 -0.1921 -0.4010 0.118
 Cl1* 0.25 -0.4402(11) -0.3157(11) -0.3777(5) 0.135(6)
 Cl2* 0.25 -0.4000(13) -0.1937(11) -0.4510(6) 0.134(6)