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#$Date: 2018-02-09 15:27:00 +0200 (Fri, 09 Feb 2018) $
#$Revision: 206341 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/06/2000665.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_2000665
loop_
_publ_author_name
'Xu, D.'
'Lei, L.'
'Xu, Y.'
'Cheng, C.'
'Chen, J.'
_publ_section_title
;Structure of
 trans-bis[dimethylglyoximato(1-)-N,N']bis(pyridine-N)cobalt(III)
 tetrachloroferrate(III)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1399
_journal_page_last               1402
_journal_paper_doi               10.1107/S0108270192000088
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H24 Co1 N6 O4,Cl4 Fe1'
_chemical_formula_sum            'C18 H24 Cl4 Co Fe N6 O4'
_chemical_formula_weight         645.1
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                104.72(2)
_cell_angle_beta                 96.38(2)
_cell_angle_gamma                80.44(2)
_cell_formula_units_Z            2
_cell_length_a                   9.306(3)
_cell_length_b                   16.247(3)
_cell_length_c                   8.972(2)
_cell_volume                     1290.4(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.693
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_meas      1.67
_exptl_crystal_F_000             654
_cod_data_source_file            as0557.cif
_cod_data_source_block           as0557a
_cod_depositor_comments
;
 Correcting the space group by changing it from 'P 1' to 'P -1' after
 consulting the original publication.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        1290.4(7)
_cod_original_formula_sum        'C18 H24 Cl4 Co1 Fe1 N6 O4'
_cod_database_code               2000665
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
Co(1) .0 .0 .0
Co(2) .0 .5 .0
Fe .41530(10) .23847(8) .4189(2)
Cl(1) .5721(3) .1936(2) .2374(3)
Cl(2) .5041(4) .3339(2) .6070(4)
Cl(3) .2079(3) .2985(2) .3252(3)
Cl(4) .3813(4) .1297(2) .5075(3)
N(11) .1962(7) .0195(4) .0562(8)
N(12) .0758(7) -.1066(4) .0527(8)
N(13) -.0503(7) .0514(4) .2162(8)
N(21) .1803(8) .4995(4) .1167(9)
N(22) .0854(8) .3857(4) -.0934(8)
N(23) -.0835(7) .4582(4) .1583(8)
O(11) .2435(7) .0937(4) .0535(8)
O(12) -.0046(7) -.1684(4) .0379(8)
O(21) .2190(8) .5687(4) .2227(8)
O(22) .0137(7) .3338(4) -.2027(7)
C(11) .4400(10) -.0370(6) .1555(12)
C(12) .2854(8) -.0411(5) .1005(9)
C(13) .2149(9) -.1166(5) .0948(9)
C(14) .2957(10) -.1962(6) .1356(11)
C(15) -.1342(11) .0150(6) .2842(11)
C(16) -.1721(13) .0506(8) .4356(13)
C(17) -.1141(15) .1222(8) .5181(12)
C(18) -.0271(14) .1596(7) .4482(13)
C(19) .0024(10) .1222(6) .2964(11)
C(21) .4281(11) .4208(8) .1500(16)
C(22) .2753(9) .4295(6) .0798(11)
C(23) .2147(10) .3617(5) -.0388(10)
C(24) .2933(12) .2734(7) -.0943(13)
C(25) -.1144(11) .3769(6) .1246(11)
C(26) -.1758(10) .3470(6) .2308(12)
C(27) -.2088(11) .3999(7) .3727(12)
C(28) -.1748(13) .4821(7) .4057(12)
C(29) -.1124(12) .5090(6) .2991(11)
H(H1) .151 .125 -.002
H(H2) -.092 .377 -.225
H(111) .460 .022 .187
H(112) .468 -.067 .254
H(113) .508 -.072 .065
H(141) .241 -.248 .137
H(142) .369 -.225 .072
H(143) .351 -.187 .238
H(211) .456 .374 .182
H(212) .439 .469 .251
H(213) .501 .419 .069
H(241) .370 .264 -.153
H(242) .353 .243 -.011
H(243) .209 .247 -.157
H(15) -.177 -.042 .218
H(16) -.239 .022 .483
H(17) -.133 .145 .637
H(18) .018 .218 .512
H(19) .074 .148 .244
H(25) -.090 .335 .007
H(26) -.202 .296 .206
H(27) -.258 .377 .459
H(28) -.187 .522 .513
H(29) -.083 .573 .332
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Co(1) N(11) 1.896(7)
Co(1) N(13) 1.982(7)
Co(2) N(22) 1.911(8)
N(11) O(11) 1.357(10)
N(21) O(21) 1.346(11)
N(11) C(12) 1.292(11)
N(13) C(15) 1.333(12)
N(21) C(22) 1.314(13)
N(23) C(25) 1.350(12)
C(11) C(12) 1.475(13)
C(13) C(14) 1.493(12)
C(22) C(23) 1.463(14)
Fe Cl(1) 2.210(3)
Fe Cl(3) 2.194(3)
Co(1) N(12) 1.912(7)
Co(2) N(21) 1.876(8)
Co(2) N(23) 1.999(7)
N(12) O(12) 1.321(10)
N(22) O(22) 1.318(10)
N(12) C(13) 1.303(11)
N(13) C(19) 1.330(12)
N(22) C(23) 1.285(12)
N(23) C(29) 1.348(13)
C(12) C(13) 1.471(11)
C(21) C(22) 1.489(17)
C(23) C(24) 1.487(15)
Fe Cl(2) 2.173(4)
Fe Cl(4) 2.193(3)
