#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/51/2005154.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2005154
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first     1658
_journal_page_last     1661
_publ_section_title
;
cis-Dichlorobis(1,10-phenanthroline-N^1^,N^10^)cadmium(II)
;
_chemical_formula_iupac     '[Cd Cl2 (C12 H8 N2)2]'
_chemical_formula_moiety     'C24 H16 Cd1 Cl2 N4'
_chemical_formula_sum            'C24 H16 Cd Cl2 N4'
_[local]_cod_chemical_formula_sum_orig 'C24 H16 Cd1 Cl2 N4'
_chemical_formula_weight     543.73
_symmetry_cell_setting    'monoclinic'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,-y,-z'
'-x,1/2+y,1/2-z'
'+x,1/2-y,1/2+z'
_cell_length_a     9.570(2)
_cell_length_b     15.150(4)
_cell_length_c     14.602(2)
_cell_angle_alpha     90
_cell_angle_beta     99.21(2)
_cell_angle_gamma     90
_cell_volume     2089.8(8)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.73
_cell_measurement_temperature     296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Cd  .24108(3)  .22633(2)  .04869(2) 2.56(2)
Cl(1)  .18350(10)
                 .13003(9)  .17697(9) 3.82(5)
Cl(2)  .03770(10)
                 .20965(8)  -.08376(9) 3.86(5)
N(1)  .4902(4)  .2226(2)  .1294(3) 3.0(2)
N(2)  .3873(3)  .1389(2)  -.0337(2) 2.50(10)
N(3)  .3252(4)  .3570(2)  -.0240(3) 3.00(10)
N(4)  .1692(4)  .3598(2)  .1168(3) 3.00(10)
C(1)  .5393(6)  .2613(3)  .2088(4) 3.8(2)
C(2)  .6808(7)  .2566(4)  .2511(4) 4.8(3)
C(3)  .7726(6)  .2103(3)  .2081(4) 4.4(2)
C(4)  .7259(5)  .1678(3)  .1233(4) 3.6(2)
C(5)  .8160(5)  .1183(4)  .0746(5) 4.7(3)
C(6)  .7652(5)  .0778(4)  -.0037(5) 4.4(3)
C(7)  .6211(5)  .0819(3)  -.0451(3) 3.2(2)
C(8)  .5617(6)  .0380(3) -0.1275(3) 3.7(2)
C(9)  .4214(5)  .0465(3) -0.1607(3) 3.5(2)
C(10)  .3369(5)  .0966(3) -0.1111(3) 3.1(2)
C(11)  .5271(4)  .1322(3)  .0008(3) 2.5(2)
C(12)  .5808(4)  .1765(3)  .0867(3) 2.6(2)
C(13)  .4036(6)  .3564(3)  -.0900(3) 3.7(2)
C(14)  .4353(6)  .4312(4) -0.1366(4) 4.5(3)
C(15)  .3823(7)  .5096(4) -0.1144(4) 4.8(3)
C(16)  .2996(6)  .5149(3)  -.0451(4) 3.9(2)
C(17)  .2383(8)  .5936(4)  -.0174(5) 5.2(3)
C(18)  .1590(7)  .5956(4)  .0488(5) 5.2(3)
C(19)  .1308(5)  .5161(3)  .0972(4) 4.0(2)
C(20)  .0482(6)  .5145(4)  .1675(4) 4.8(3)
C(21)  .0300(6)  .4380(4)  .2115(4) 4.9(3)
C(22)  .0925(6)  .3610(4)  .1839(4) 3.8(2)
C(23)  .1897(5)  .4358(3)  .0732(3) 3.0(2)
C(24)  .2727(5)  .4349(3)  -.0001(3) 3.0(2)
H(1)  .485(6)  .281(4)  .233(4) 4.6
H(2)  .700(7)  .280(4)  .301(4) 5.8
H(3)  .873(7)  .214(4)  .235(4) 5.3
H(4)  .890(6)  .122(4)  .097(4) 5.4
H(5)  .810(6)  .053(4)  -.029(4) 5.1
H(6)  .614(5)  .008(4) -0.165(4) 4.2
H(7)  .381(5)  .020(3) -0.212(4) 4.3
H(8)  .241(5)  .099(3) -0.129(3) 3.7
H(9)  .457(6)  .316(4) -0.100(4) 4.4
H(10)  .479(7)  .432(4) -0.176(4) 5.4
H(11)  .386(7)  .549(4) -0.133(5) 5.5
H(12)  .255(6)  .629(5)  -.050(4) 6.0
H(13)  .131(7)  .638(5)  .060(5) 6.3
H(14)  .017(6)  .567(4)  .172(4) 5.7
H(15)  -.022(6)  .432(4)  .259(4) 5.6
H(16)  .087(6)  .318(4)  .205(4) 4.6
_cod_database_code 2005154