data_2008966
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1413
_journal_page_last  1416
_publ_section_title
;
Diamminebis(2,4,6-trichlorophenolato)copper(II)
;
loop_
_publ_author_name
  'G\"oka\(ga\,c, G\"uls\"un'
  'Tatar, Leyla'
  'K\?isak\"urek, Duygu'
  '\"Ulk\"u, Din\,cer'
_chemical_formula_moiety  'C12 H10 Cl6 Cu N2 O2'
_chemical_formula_sum  'C12 H10 Cl6 Cu N2 O2'
_chemical_formula_iupac  '[Cu(C6 H2 Cl3 O)2 (NH3 )2 ]'
_chemical_formula_weight  490.48
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
_cell_length_a  4.7711(7)
_cell_length_b  12.4592(10)
_cell_length_c  14.9907(13)
_cell_angle_alpha  90.00
_cell_angle_beta  94.370(10)
_cell_angle_gamma  90.00
_cell_volume  888.5(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  1.833
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_type_symbol
  Cu 0.000 0.000 0.000 0.03280(10)
  Ueq . . Cu
  Cl1 0.2293(2) -0.18966(6) 0.10262(5) 0.0476(2) Ueq . . Cl
  Cl2 0.3972(3) -0.13174(8) 0.45771(6) 0.0755(3) Ueq . . Cl
  Cl3 -0.3286(2) 0.12300(7) 0.26487(6) 0.0548(3) Ueq . . Cl
  O1 -0.1777(4) -0.0084(2) 0.11240(10)
  0.0417(5) Ueq . . O
  N1 0.2926(5) 0.0977(2) 0.0551(2) 0.0422(6) Ueq . . N
  C1 -0.0439(6) -0.0355(2) 0.1888(2) 0.0360(6) Ueq . . C
  C2 0.1563(6) -0.1186(2) 0.1982(2) 0.0390(6) Ueq . . C
  C3 0.2929(7) -0.1480(3) 0.2787(2) 0.0444(10) Ueq . . C
  C4 0.2315(7) -0.0938(3) 0.3546(2) 0.0483(10) Ueq . . C
  C5 0.0393(7) -0.0115(3) 0.3514(2) 0.0470(10) Ueq . . C
  C6 -0.0922(6) 0.0167(2) 0.2692(2) 0.0403(8) Ueq . . C
  H3 0.427 -0.205 0.282 0.0583 Uiso . . H
  H5 -0.002 0.025 0.404 0.0608 Uiso . . H
  H11 0.362 0.135 0.013 0.0557 Uiso . . H
  H12 0.205 0.146 0.094 0.0557 Uiso . . H
  H13 0.420 0.062 0.087 0.0557 Uiso . . 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
_atom_site_aniso_type_symbol
  Cu 0.0257(2) 0.0435(2) 0.0288(2) 0.0039(2) -0.0006(2) 0.0006(2) Cu
  Cl1 0.0532(4) 0.0500(4) 0.0398(3) 0.0047(3) 0.0045(3) -0.0043(3) Cl
  Cl2 0.1208(8) 0.0592(5) 0.0412(4) 0.0012(5) -0.0275(4) 0.0071(4) Cl
  Cl3 0.0499(4) 0.0605(5) 0.0539(4) 0.0083(4) 0.0042(3) -0.0093(4) Cl
  O1 0.0291(9) 0.0650(10)
  0.0310(9) 0.0037(9) 0.0018(7) 0.0032(9) O
  N1 0.0350(10)
  0.0500(10)
  0.0410(10)
  0.0010(10)
  -0.0020(10)
  0.0010(10)
  N
  C1 0.0320(10)
  0.0450(10)
  0.0310(10)
  -0.0090(10)
  0.0030(10)
  0.0030(10)
  C
  C2 0.0400(10)
  0.0420(10)
  0.0350(10)
  -0.0050(10)
  0.0020(10)
  0.0000(10)
  C
  C3 0.051(2) 0.0390(10)
  0.042(2) -0.0020(10)
  -0.0050(10)
  0.0050(10)
  C
  C4 0.063(2) 0.044(2) 0.0360(10)
  -0.0090(10)
  -0.0080(10)
  0.0080(10)
  C
  C5 0.063(2) 0.047(2) 0.0310(10)
  -0.0110(10)
  0.0030(10)
  -0.0020(10)
  C
  C6 0.0380(10)
  0.044(2) 0.0390(10)
  -0.0050(10)
  0.0040(10)
  0.0010(10)
  C
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu O1 . . 1.946(2) yes
  Cu N1 . . 1.984(2) yes
  Cu Cl1 . . 2.9820(10)
  yes
  Cl1 C2 . . 1.742(3) yes
  Cl2 C4 . . 1.747(3) yes
  Cl3 C6 . . 1.738(3) yes
  O1 C1 . . 1.312(3) yes
  N1 H11 . . 0.877 no
  N1 H12 . . 0.961 no
  N1 H13 . . 0.864 no
  C1 C2 . . 1.409(4) no
  C1 C6 . . 1.404(4) no
  C2 C3 . . 1.377(4) no
  C3 C4 . . 1.374(4) no
  C3 H3 . . 0.95 no
  C4 C5 . . 1.374(5) no
  C5 C6 . . 1.385(4) no
  C5 H5 . . 0.95 no