data_2202366
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  m845
_journal_page_last  m846
_publ_section_title
;
'poly-catena-Di-\m~2~-chloro(1,10-phenanthroline)cadmium(II)
;
loop_
_publ_author_name
  'Chen, Hong-Bin'
  'Zhou, Zhao-Hui'
  'Wan, Hui-Lin'
  'Ng, Seik Weng'
_chemical_name_common  'Cadmium dichloride.1,10-phenanthroline'
_chemical_formula_moiety  '(C12 H8 N2), Cl2, Cd'
_chemical_formula_sum  'C12 H8 Cd Cl2 N2'
_chemical_formula_iupac  '[Cd (C12 H8 N2) Cl2]'
_chemical_formula_weight  363.50
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'x, -y, z+1/2'
  'x+1/2, y+1/2, z'
  'x+1/2, -y+1/2, z+1/2'
  '-x, -y, -z'
  '-x, y, -z-1/2'
  '-x+1/2, -y+1/2, -z'
  '-x+1/2, y+1/2, -z-1/2'
_cell_length_a  16.8600(10)
_cell_length_b  10.5210(7)
_cell_length_c  7.2325(5)
_cell_angle_alpha  90.00
_cell_angle_beta  110.2980(10)
_cell_angle_gamma  90.00
_cell_volume  1203.30(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  223
_exptl_crystal_density_diffrn  2.007
_diffrn_ambient_temperature  298(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cd1 0.0000 0.57134(6) 0.2500 0.0277(3) Uani d S 1 . . Cd
  Cl1 -0.09630(10)
  0.4227(2) -0.0107(3) 0.0381(5) Uani d . 1 . . Cl
  N1 0.0760(4) 0.7536(6) 0.4010(10)
  0.0350(10)
  Uani d . 1 . . N
  C1 0.1514(6) 0.7521(9) 0.5460(10)
  0.052(2) Uani d DU 1 . . C
  C2 0.1959(6) 0.8630(10)
  0.619(2) 0.065(3) Uani d DU 1 . . C
  C3 0.1601(6) 0.9780(10)
  0.5420(10)
  0.069(3) Uani d DU 1 . . C
  C4 0.0802(6) 0.9834(7) 0.3970(10)
  0.054(2) Uani d DU 1 . . C
  C5 0.0395(3) 0.8671(7) 0.3251(8) 0.040(2) Uani d DU 1 . . C
  C6 0.0398(4) 1.0989(9) 0.3220(10)
  0.066(3) Uani d DU 1 . . C
  H1 0.1747 0.6745 0.5997 0.062 Uiso calc R 1 . . H
  H2 0.2489 0.8598 0.7170 0.078 Uiso calc R 1 . . H
  H3 0.1899 1.0524 0.5876 0.082 Uiso calc R 1 . . H
  H6 0.0667 1.1756 0.3683 0.080 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cd1 0.0330(4) 0.0209(4) 0.0218(4) 0.000 0.0001(3) 0.000
  Cl1 0.0420(10)
  0.0370(10)
  0.0310(10)
  -0.0100(10)
  0.0070(10)
  -0.0070(10)
  N1 0.032(3) 0.041(4) 0.034(3) -0.005(3) 0.013(3) -0.013(3)
  C1 0.042(4) 0.068(6) 0.043(4) -0.006(4) 0.012(4) -0.022(4)
  C2 0.049(5) 0.096(7) 0.056(5) -0.026(5) 0.024(4) -0.033(5)
  C3 0.082(6) 0.081(6) 0.064(6) -0.040(5) 0.052(5) -0.030(5)
  C4 0.076(6) 0.048(5) 0.057(5) -0.023(4) 0.048(5) -0.018(4)
  C5 0.062(5) 0.032(4) 0.046(4) -0.002(3) 0.044(4) -0.002(3)
  C6 0.110(7) 0.044(5) 0.077(6) -0.020(4) 0.071(6) -0.015(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cd1 N1 . 2.353(6) yes
  Cd1 N1 6_556 2.353(6) no
  Cd1 Cl1 . 2.552(2) yes
  Cd1 Cl1 2_565 2.753(2) yes
  Cd1 Cl1 5_565 2.753(2) no
  Cd1 Cl1 6_556 2.552(2) no
  N1 C1 . 1.340(10)
  no
  N1 C5 . 1.370(10)
  no
  C1 C2 . 1.387(8) no
  C2 C3 . 1.377(9) no
  C3 C4 . 1.391(9) no
  C4 C6 . 1.408(8) no
  C4 C5 . 1.411(8) no
  C5 C5 6_556 1.398(9) no
  C6 C6 6_556 1.380(10)
  no
  C1 H1 . 0.93 no
  C2 H2 . 0.93 no
  C3 H3 . 0.93 no
  C6 H6 . 0.93 no