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#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/09/2000913.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_2000913
loop_
_publ_author_name
'Litster, S. A.'
'Mole, L.'
'Redhouse, A. D.'
'Spencer, J. L.'
_publ_section_title
;
 Structure of
 di-μ-chloro-bis[1,3-bis(di-tert-butylphosphino)propaneplatinum(II)]
 tetrafluoroborate 0.8-dichloromethane solvate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              913
_journal_page_last               915
_journal_paper_doi               10.1107/S0108270191012611
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C38 H84 Cl2 P4 Pt2,2(B1 F4),0.8(C1 H2 Cl2)'
_chemical_formula_sum            'C39 H86 B2 Cl4 F8 P4 Pt2'
_chemical_formula_weight         1367.7
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                65.35(2)
_cell_angle_beta                 77.58(2)
_cell_angle_gamma                66.31(2)
_cell_formula_units_Z            1
_cell_length_a                   11.191(3)
_cell_length_b                   11.512(3)
_cell_length_c                   13.134(3)
_cell_volume                     1406.0(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    5.36
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_F_000             677.6
_cod_data_source_file            li0109.cif
_cod_data_source_block           li0109a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-06-16

 Marking atoms 'Cl(3)', 'Cl(4)' and 'Cl(3A)', 'Cl(4A)' as belonging to disorder
 sites '1' and '2' with the occupancies of 0.6 and 0.2 respectively after
 consulting the original publication.

 Marking the 'C11A' atom as having the occupancy of 0.8 after consulting
 the original publication.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1406.1(6)
_cod_database_code               2000913
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
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_attached_hydrogens
Pt(1) -.10060(10) .03260(10) .12590(10) .0210(10) 1 . 0
Cl(1) -.0424(2) -.1183(2) .02650(10) .0430(10) 1 . 0
P(1) -.22850(10) -.07900(10) .25810(10) .0230(10) 1 . 0
P(2) -.14970(10) .20800(10) .18630(10) .0230(10) 1 . 0
C(5) -.3269(5) .0009(5) .3573(4) .028(2) 1 . 2
C(6) -.2667(6) .0718(6) .3953(4) .030(2) 1 . 2
C(7) -.2715(5) .2109(5) .3028(4) .028(2) 1 . 2
C(1) -.3587(6) -.0863(6) .1903(5) .034(2) 1 . 0
C(11) -.3103(7) -.2004(6) .1447(6) .046(3) 1 . 3
C(12) -.4085(7) .0516(6) .0950(6) .043(3) 1 . 3
C(13) -.4763(6) -.1021(7) .2760(6) .048(3) 1 . 3
C(2) -.1256(6) -.2558(5) .3488(5) .033(2) 1 . 0
C(21) -.0560(7) -.2399(6) .4272(5) .043(3) 1 . 3
C(22) -.2110(7) -.3410(6) .4209(5) .044(3) 1 . 3
C(23) -.0222(6) -.3339(6) .2807(5) .040(2) 1 . 3
C(3) -.0045(5) .2095(6) .2360(5) .031(2) 1 . 0
C(31) .0318(7) .0919(7) .3483(5) .044(3) 1 . 3
C(32) -.0377(7) .3437(7) .2545(5) .041(3) 1 . 3
C(33) .1171(6) .1945(6) .1540(5) .039(3) 1 . 3
C(4) -.2319(6) .3767(5) .0715(5) .030(2) 1 . 0
C(41) -.3196(7) .4869(6) .1196(6) .045(3) 1 . 3
C(42) -.1345(7) .4337(6) -.0171(5) .040(3) 1 . 3
C(43) -.3192(7) .3526(6) .0127(5) .041(3) 1 . 3
B(1) -.3448(7) -.2996(7) .6946(6) .041(3) 1 . 0
F(21) -.3164(6) -.1816(6) .6405(5) .082(3) 1 . 0
F(22) -.4310(5) -.2937(7) .6294(5) .083(3) 1 . 0
F(23) -.2342(4) -.4098(5) .7056(4) .074(2) 1 . 0
F(24) -.4073(5) -.3003(5) .7976(3) .073(2) 1 . 0
C(11A) -.3438(13) .3821(13) .6527(10) .079(3) 0.8 . 2
Cl(3) -.2792(4) .2284(4) .7730(3) .091(2) 0.6 1 0
Cl(4) -.3216(4) .3380(4) .5335(3) .097(2) 0.6 1 0
Cl(3A) -.3567(16) .3071(16) .7613(13) .093(4) 0.2 2 0
Cl(4A) -.3415(19) .372(2) .5521(17) .127(5) 0.2 2 0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pt(1) Cl(1) 2.401(2)
Pt(1) P(2) 2.294(2)
P(1) C(1) 1.908(8)
P(2) C(7) 1.819(5)
P(2) C(4) 1.900(4)
C(6) C(7) 1.542(7)
C(1) C(12) 1.526(7)
C(2) C(21) 1.522(12)
C(2) C(23) 1.529(9)
C(3) C(32) 1.548(11)
C(4) C(41) 1.540(9)
C(4) C(43) 1.532(12)
B(1) F(22) 1.387(12)
B(1) F(24) 1.380(9)
C(11A) Cl(4) 1.779(16)
C(11A) Cl(4A) 1.37(3)
Pt(1) P(1) 2.2940(10)
P(1) C(5) 1.823(6)
P(1) C(2) 1.890(5)
P(2) C(3) 1.887(7)
C(5) C(6) 1.515(11)
C(1) C(11) 1.524(11)
C(1) C(13) 1.554(9)
C(2) C(22) 1.537(10)
C(3) C(31) 1.524(7)
C(3) C(33) 1.541(8)
C(4) C(42) 1.538(9)
B(1) F(21) 1.377(11)
B(1) F(23) 1.351(8)
C(11A) Cl(3) 1.811(11)
C(11A) Cl(3A) 1.336(18)
