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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/17/2001749.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_2001749
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                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1035
_journal_page_last               1036
_journal_paper_doi               10.1107/S0108270193001234
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C6 H8 Cd Cl O3 P'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.250(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.885(2)
_cell_length_b                   5.8864(6)
_cell_length_c                   21.624(2)
_cell_volume                     1764.5(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_F_000             1184
_cod_data_source_file            hh1056.cif
_cod_data_source_block           hh1056_structure_1_of_1
_cod_original_cell_volume        1764.5(7)
_cod_original_formula_sum        'C6 H8 Cd1 Cl1 O3 P1'
_cod_database_code               2001749
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cd(1) .75 .27041(2) .5
Cd(2) .5 .5 .5
Cl(1) .61937(2) .28768(5) .580156(15)
P(1) .68604(2) .76559(5) .421381(15)
O(1) .64794(7) .5540(2) .45277(4)
O(2) .66020(8) .9906(2) .45068(5)
O(3) .48790(9) .1898(2) .43900(6)
C(1) .64961(10) .7703(2) .34078(6)
C(2) .60592(12) .5861(3) .31080(7)
C(3) .58672(13) .5922(3) .24678(7)
C(4) .61175(13) .7843(4) .21354(7)
C(5) .65410(14) .9679(3) .24299(8)
C(6) .67390(12) .9630(3) .30691(7)
H(1) .7836(13) .752(3) .4224(8)
H(2) .550(2) .134(6) .4408(14)
H(3) .453(2) .055(6) .4554(13)
H(4) .5885 .4518 .3345
H(5) .5559 .4624 .2253
H(6) .5989 .7881 .1685
H(7) .6705 1.1027 .2191
H(8) .7046 1.0936 .3281
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Cl(1) Cd(1) Cl(1) 175.48(2)
Cl(1) Cd(1) O(1) 80.60(2)
Cl(1) Cd(1) O(1) 96.21(2)
Cl(1) Cd(1) O(2) 87.50(3)
Cl(1) Cd(1) O(2) 95.76(3)
O(1) Cd(1) O(1) 91.01(5)
O(1) Cd(1) O(2) 90.54(4)
O(1) Cd(1) O(2) 176.18(4)
O(2) Cd(1) O(2) 88.14(5)
Cl(1) Cd(2) Cl(1) 180.00
Cl(1) Cd(2) O(1) 79.58(2)
O(1) P(1) O(2) 115.43(6)
O(1) P(1) C(1) 111.10(6)
O(2) P(1) C(1) 109.42(6)
Cd(1) O(1) Cd(2) 103.33(3)
Cd(1) O(1) P(1) 123.32(5)
Cd(2) O(1) P(1) 129.23(5)
Cd(1) O(1) P(1) 133.23(6)
P(1) C(1) C(2) 122.40(10)
P(1) C(1) C(6) 117.30(10)
C(2) C(1) C(6) 120.10(10)
C(1) C(2) C(3) 119.90(10)
C(2) C(3) C(4) 119.5(2)
C(3) C(4) C(5) 120.90(10)
C(4) C(5) C(6) 120.0(2)
C(1) C(6) C(5) 119.7(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Cd(1) Cl(1) 2.5809(4)
Cd(1) O(1) 2.3821(9)
Cd(1) O(2) 2.2920(10)
Cd(2) Cl(1) 2.6434(4)
Cd(2) O(1) 2.3670(10)
Cd(2) O(3) 2.2530(10)
P(1) O(1) 1.5272(9)
P(1) O(2) 1.5200(10)
P(1) C(1) 1.7870(10)
C(1) C(2) 1.386(2)
C(1) C(6) 1.402(2)
C(2) C(3) 1.395(2)
C(3) C(4) 1.395(3)
C(4) C(5) 1.370(3)
C(5) C(6) 1.394(2)
P(1) H(1) 1.36(2)
O(3) H(2) 0.92(3)
O(3) H(3) 1.01(3)
C(2) H(4) 0.98
C(3) H(5) 0.98
C(4) H(6) 0.98
C(5) H(7) 0.98
C(6) H(8) 0.98
