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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/2/00/06/2000663.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_2000663
loop_
_publ_author_name
'Du, J.-L.'
'Rettig, S. J.'
'Thompson, R. C.'
'Trotter, J.'
_publ_section_title
;
 Structure of a polymeric cadmium complex containing triply bridging
 monophenylphosphinate ligands
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1394
_journal_page_last               1397
_journal_paper_doi               10.1107/S0108270191014841
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C6 H8 Cd Cl O3 P'
_chemical_formula_weight         306.96
_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                102.600(10)
_cell_angle_beta                 103.240(10)
_cell_angle_gamma                110.235(9)
_cell_formula_units_Z            4
_cell_length_a                   12.855(2)
_cell_length_b                   13.501(2)
_cell_length_c                   5.8864(6)
_cell_volume                     882.2(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.91
_exptl_crystal_density_diffrn    2.311
_exptl_crystal_F_000             592
_cod_data_source_file            hh0583.cif
_cod_data_source_block           hh0583a
_cod_original_cell_volume        882.3(2)
_cod_original_formula_sum        'C6 H8 Cd1 Cl1 O3 P1'
_cod_database_code               2000663
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
Cd(1) .250010(10) .249981(9) .02041(2)
Cd(2) .0 .0 .0
Cd(3) .5 .5 .5
Cl(1) .19950(3) .03914(3) -.09281(7)
Cl(2) .30046(3) .46084(3) .16849(7)
P(1) .10740(3) .26467(3) .45162(6)
P(2) .39260(3) .23533(3) .57957(6)
O(1) .10070(10) .19520(10) .2019(2)
O(2) .11120(10) .20980(10) .6508(2)
O(3) .39930(10) .30490(10) .4067(2)
O(4) .38870(10) .29030(10) .8301(2)
O(5) -.07320(10) .04910(10) -.3219(2)
O(6) .57330(10) .45150(10) .2022(2)
C(1) -.00950(10) .30890(10) .4202(3)
C(2) -.0838(2) .2948(2) .1912(3)
C(3) -.1663(2) .3396(2) .1786(4)
C(4) -.1748(2) .3986(2) .3947(5)
C(5) -.1028(2) .4109(2) .6214(4)
C(6) -.0195(2) .3667(2) .6366(3)
C(7) .50920(10) .19110(10) .6207(3)
C(8) .5194(2) .1329(2) .7886(3)
C(9) .6026(2) .0884(2) .8125(4)
C(10) .6755(2) .1016(2) .6726(4)
C(11) .6666(2) .1603(2) .5057(4)
C(12) .5839(2) .2051(2) .4803(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Cd(1) Cl(1) 2.5816(5)
Cd(1) Cl(2) 2.5819(5)
Cd(1) O(1) 2.3820(10)
Cd(1) O(3) 2.3840(10)
Cd(2) Cl(1) 2.6429(5)
Cd(2) O(1) 2.3670(10)
Cd(2) O(5) 2.2530(10)
Cd(3) Cl(2) 2.6432(6)
Cd(3) O(3) 2.3660(10)
Cd(3) O(6) 2.2520(10)
P(1) O(1) 1.5280(10)
P(1) O(2) 1.5180(10)
P(1) C(1) 1.786(2)
P(2) O(3) 1.5260(10)
P(2) O(4) 1.5200(10)
P(2) C(7) 1.784(2)
C(1) C(2) 1.393(2)
C(1) C(6) 1.399(2)
C(2) C(3) 1.387(3)
C(3) C(4) 1.394(3)
C(4) C(5) 1.377(4)
C(5) C(6) 1.391(3)
C(7) C(8) 1.401(2)
C(7) C(12) 1.395(2)
C(8) C(9) 1.392(3)
C(9) C(10) 1.374(3)
C(10) C(11) 1.399(3)
C(11) C(12) 1.390(3)
