#------------------------------------------------------------------------------
#$Date: 2017-09-11 17:20:04 +0100 (Mon, 11 Sep 2017) $
#$Revision: 200475 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/03/2000333.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_2000333
loop_
_publ_author_name
'Mullica, D. F.'
'Sappenfield, E. L.'
'Leschnitzer, D. H.'
_publ_section_title
Chloro(tri-<i>tert</i>-butylphosphino-<i>C</i>,<i>P</i>)(tricyclohexylphosphine)platinum(II)
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              874
_journal_page_last               876
_journal_paper_doi               10.1107/S0108270190011179
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C30 H59 Cl P2 Pt'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                106.18(3)
_cell_angle_beta                 94.18(2)
_cell_angle_gamma                91.59(2)
_cell_formula_units_Z            2
_cell_length_a                   9.986(2)
_cell_length_b                   12.998(4)
_cell_length_c                   14.170(5)
_cell_volume                     1759.5(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_F_000             728
_cod_data_source_file            st0465.cif
_cod_data_source_block           st0465a
_cod_depositor_comments
;
 Changing the space group from 'P 1' to '-P 1' after consulting the original
 publication.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_cell_volume        1760.95
_cod_original_sg_symbol_H-M      P1
_cod_original_formula_sum        'C30 H59 Cl1 P2 Pt1'
_cod_database_code               2000333
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pt .31916(3) .28916(3) .24993(2) .0365(2)
Cl .1256(3) .2506(3) .3286(2) .090(2)
P(1) .4724(3) .1922(2) .3094(2) .0390(10)
P(2) .2016(2) .3918(2) .1677(2) .0360(10)
C(1) .4990(10) .3010(10) .1924(8) .057(6)
C(2) .5720(10) .1977(9) .2033(8) .056(6)
C(3) .528(2) .1090(10) .1080(10) .082(8)
C(4) .7270(10) .2120(10) .2190(10) .090(10)
C(10) .4330(10) .0510(8) .3100(10) .065(7)
C(11) .325(2) .0040(10) .2230(10) .090(10)
C(12) .362(2) .0540(10) .4090(10) .101(9)
C(13) .553(2) -.0180(10) .3000(10) .088(8)
C(20) .5590(10) .2746(9) .4317(8) .057(6)
C(21) .446(2) .2990(10) .5061(9) .089(9)
C(22) .676(2) .2180(10) .4690(10) .088(9)
C(23) .6110(10) .3830(10) .4210(10) .078(9)
C(31) .1240(10) .3068(8) .0469(7) .046(5)
C(32) .2280(10) .2620(10) -.0248(9) .056(6)
C(33) .1630(10) .1910(10) -.1232(9) .073(8)
C(34) .072(2) .1030(10) -.1080(10) .083(9)
C(35) -.036(2) .1490(10) -.0380(10) .078(8)
C(36) .0300(10) .2190(10) .0609(9) .067(8)
C(41) .3060(10) .4942(8) .1353(7) .042(5)
C(42) .2390(10) .5540(10) .0667(8) .065(6)
C(43) .3380(10) .6251(9) .0360(9) .070(7)
C(44) .4170(10) .7022(9) .1224(9) .068(7)
C(45) .4820(10) .6440(10) .1881(9) .066(7)
C(46) .3790(10) .5727(9) .2249(8) .056(6)
C(51) .0560(10) .4559(9) .2322(7) .047(5)
C(52) -.0410(10) .5070(10) .1783(9) .066(6)
C(53) -.1660(10) .5360(10) .2320(10) .082(8)
C(54) -.1310(10) .6030(10) .3350(10) .086(9)
C(55) -.0270(10) .5540(10) .3930(10) .080(8)
C(56) .0950(10) .5240(10) .3358(9) .059(7)
H11 .556 .373 .234 ?
H12 .485 .301 .117 ?
H31 .581 .037 .114 ?
H32 .426 .093 .101 ?
H33 .564 .130 .047 ?
H41 .771 .140 .226 ?
H42 .769 .235 .160 ?
H43 .757 .276 .287 ?
H111 .296 -.077 .218 ?
H112 .237 .051 .232 ?
H113 .364 .006 .154 ?
H121 .340 -.025 .412 ?
H122 .430 .095 .473 ?
H123 .273 .097 .411 ?
H131 .521 -.098 .302 ?
H132 .593 -.024 .231 ?
H133 .628 .014 .359 ?
H211 .485 .344 .578 ?
H212 .367 .341 .480 ?
H213 .401 .223 .512 ?
H221 .722 .267 .538 ?
H222 .639 .143 .479 ?
H223 .750 .201 .417 ?
H231 .662 .432 .489 ?
H232 .684 .370 .365 ?
H233 .532 .426 .399 ?
H311 .064 .358 .013 ?
H321 .293 .214 .009 ?
H322 .287 .326 -.037 ?
H331 .240 .155 -.170 ?
H332 .103 .237 -.160 ?
H341 .136 .053 -.073 ?
H342 .031 .053 -.177 ?
H351 -.098 .084 -.029 ?
H352 -.099 .197 -.074 ?
H361 -.045 .255 .109 ?
H362 .089 .170 .098 ?
H411 .376 .445 .092 ?
H421 .164 .604 .107 ?
H422 .189 .498 .004 ?
H431 .289 .669 -.009 ?
H441 .347 .756 .163 ?
H442 .490 .748 .097 ?
H451 .534 .702 .251 ?
H452 .555 .593 .148 ?
H461 .430 .532 .271 ?
H462 .307 .624 .266 ?
H511 -.003 .384 .233 ?
H521 -.069 .454 .107 ?
H522 .007 .579 .171 ?
H531 -.218 .463 .236 ?
H532 -.230 .579 .196 ?
H541 -.220 .618 .374 ?
H542 -.086 .679 .334 ?
H551 -.075 .482 .405 ?
H552 -.001 .609 .466 ?
H561 .147 .598 .332 ?
H562 .164 .483 .373 ?