#------------------------------------------------------------------------------
#$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208377 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/03/2000308.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000308
loop_
_publ_author_name
'Farrugia, L. J.'
_publ_section_title
;Structure of
 1,2,2,2,3,3,3,4,4,4-decacarbonyl-1,2:3,4-di-μ-hydrido-1-tricyclohexylphosphine-3-triisopropylphosphineplatinumtriosmium(2
 Pt--Os)(3 Os--Os)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1310
_journal_page_last               1312
_journal_paper_doi               10.1107/S0108270190013944
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         Os3Pt(H)2(CO)10,P(C6H11)3,P(C3H7)3
_chemical_formula_sum            'C37 H56 O10 Os3 P2 Pt'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                90
_cell_angle_beta                 100.92(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.678(2)
_cell_length_b                   15.924(4)
_cell_length_c                   27.237(5)
_cell_volume                     4547.4(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    2.17
_exptl_crystal_F_000             2776
_cod_data_source_file            mu0219.cif
_cod_data_source_block           mu0219a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        4547(2)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C37 H56 O10 P2 Os3 Pt1'
_cod_database_code               2000308
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pt .37918(7) .20832(4) .07005(3)
Os(1) .36448(7) .16819(4) .16585(3)
Os(2) .28384(7) .32698(4) .13393(3)
Os(3) .54048(7) .31906(4) .19064(3)
P(1) .3765(4) .2376(3) -.0145(2)
P(2) .7546(4) .2843(3) .2271(2)
O(1) .2766(14) .1673(9) .2646(6)
O(2) .5020(14) .0027(9) .1850(5)
O(3) .1176(15) .0958(9) .1094(6)
O(4) .2938(16) .5069(11) .1004(6)
O(5) .2034(14) .3718(9) .2299(6)
O(6) .0142(16) .2919(9) .0833(6)
O(7) .5396(14) .5077(9) .1932(5)
O(8) .4638(13) .3138(7) .2939(5)
O(9) .6278(14) .3337(8) .0902(6)
O(10) .4769(14) .0340(9) .0692(5)
C(1) .3122(19) .1689(11) .2271(8)
C(2) .4468(17) .0662(11) .1774(7)
C(3) .213(2) .1240(10) .1320(10)
C(4) .288(2) .4370(10) .1140(10)
C(5) .2366(18) .3525(11) .1932(7)
C(6) .123(2) .3050(10) .1030(10)
C(7) .5452(17) .4336(12) .1931(7)
C(8) .4883(18) .3169(11) .2544(7)
C(9) .5894(18) .3262(11) .1273(7)
C(10) .4401(17) .1008(11) .0701(7)
C(11) .7708(17) .2286(11) .2878(7)
C(12) .710(2) .1410(10) .2800(10)
C(13) .904(2) .2200(10) .3190(10)
C(14) .8374(18) .2302(11) .1822(7)
C(15) .975(2) .1990(10) .2060(10)
C(16) .766(2) .1560(10) .1540(10)
C(17) .8605(19) .3766(12) .2438(8)
C(18) .874(2) .4300(10) .1970(10)
C(19) .815(2) .4290(10) .2840(10)
C(111) .2997(14) .1497(9) -.0537(6)
C(112) .1881(18) .1108(11) -.0347(7)
C(113) .1390(18) .0331(11) -.0638(7)
C(114) .1031(19) .0518(12) -.1173(7)
C(115) .2029(19) .0901(12) -.1382(7)
C(116) .2550(18) .1717(11) -.1082(7)
C(121) .2942(17) .3349(11) -.0412(7)
C(122) .1602(19) .3364(12) -.0354(7)
C(123) .085(2) .416(2) -.0590(10)
C(124) .155(3) .492(2) -.0390(10)
C(125) .287(3) .493(2) -.0420(10)
C(126) .3610(18) .4135(12) -.0187(7)
C(131) .5384(16) .2471(10) -.0252(7)
C(132) .625(2) .1750(10) -.0050(10)
C(133) .767(3) .191(2) -.0070(10)
C(134) .780(3) .208(2) -.0590(10)
C(135) .699(3) .283(2) -.0770(10)
C(136) .557(2) .2650(10) -.0750(10)
H(1) .34160 .32050 .07390
H(2) .53200 .20380 .18380
H(11) .72558 .26081 .31072
H(12A) .61817 .14645 .26364
H(12B) .75540 .10856 .25673
H(12C) .71826 .11105 .31239
H(13A) .94025 .27800 .32561
H(13B) .91246 .19045 .35176
H(13C) .95631 .18898 .29805
H(14) .84411 .27010 .15452
H(15A) .96801 .15957 .23331
H(15B) 1.02663 .24914 .21972
H(15C) 1.01960 .17056 .18129
H(16A) .68283 .17768 .1352
H(16B) .81134 .12728 .12955
H(16C) .75031 .11415 .17919
H(17) .94701 .35691 .26057
H(18A) .78799 .44987 .18047
H(18B) .93112 .47993 .20664
H(18C) .91112 .39399 .17349
H(19A) .72572 .44871 .27042
H(19B) .81380 .39384 .31431
H(19C) .87121 .47905 .29346
H(111) .36453 .10451 -.05411
H(112A) .21509 .09697 .00155
H(112B) .11766 .15305 -.03873
H(113A) .06454 .00947 -.05102
H(113B) .20877 -.00971 -.05943
H(114A) .031 .09286 -.12118
H(114B) .07314 -.00054 -.13617
H(115A) .17055 .10431 -.17412
H(115B) .27391 .04854 -.13599
H(116A) .3279 .19578 -.12185
H(116B) .18579 .21478 -.111
H(121) .29621 .33766 -.0777
H(122A) .15891 .33468 .00118
H(122B) .11661 .28509 -.05164
H(123A) -.00293 .41543 -.05159
H(123B) .07841 .41498 -.09647
H(124A) .15152 .49611 -.00233
H(124B) .11218 .54265 -.05629
H(125A) .32957 .54421 -.02582
H(125B) .29023 .49355 -.07842
H(126A) .45089 .41419 -.02425
H(126B) .36186 .41317 .01812
H(131) .57805 .29862 -.00782
H(132A) .61514 .16218 .02978
H(132B) .59665 .12523 -.02688
H(133A) .82128 .14216 .00667
H(133B) .79521 .24192 .01317
H(134A) .74531 .15916 -.07980
H(134B) .87115 .21717 -.06167
H(135A) .71090 .29913 -.11177
H(135B) .72860 .32987 -.05385
H(136A) .5284 .21538 -.09679
H(136B) .50277 .31473 -.08858
