data_2010304
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1902
_journal_page_last  1904
_publ_section_title
;
Bis(Thiourea-\kS)bis(trichloroacetato-\kO)zinc(II) Monohydrate
;
loop_
_publ_author_name
  'Poto\<c\<n\'ak, I.'
  'Dunaj-Jur\<co, M.'
  'Pet\<r\'i\<cek, V.'
  '\<Cern\'ak, J.'
_chemical_formula_moiety  'C6 H10 Cl6 N4 O5 S2 Zn1'
_chemical_formula_sum  'C6 H10 Cl6 N4 O5 S2 Zn1'
_chemical_formula_weight  560.39
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,-y,-z'
  '-x,1/2+y,1/2-z'
_cell_length_a  5.972(2)
_cell_length_b  23.103(11)
_cell_length_c  14.400(5)
_cell_angle_alpha  90.
_cell_angle_beta  102.91(3)
_cell_angle_gamma  90.
_cell_volume  1937.0(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.922
_refine_ls_R_factor_obs  0.0572
_refine_ls_wR_factor_obs  0.0564
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Zn .24633(14) .13936(3) .08967(5) .0302(2)
  S1 .6422(3) .14900(10)
  .12160(10)
  .0339(6)
  C11 .6999(11) .1829(3) .2325(4) .0319(13)
  N11 .5533(10) .2179(3) .2578(4) .0482(13)
  N12 .8970(10) .1730(3) .2902(4) .0411(13)
  S2 .0371(3) .09600(10)
  -.04510(10)
  .0367(6)
  C21 .2472(11) .0558(3) -.0826(4) .0293(13)
  N21 .2280(10) -.0006(3) -.0884(5) .0421(14)
  N22 .4172(10) .0819(3) -.1086(5) .0434(15)
  O31 .1963(8) .0996(2) .2077(3) .0338(13)
  O32 .3552(8) .0219(2) .1590(3) .0413(12)
  C31 .2811(10) .0492(3) .2168(5) .0287(15)
  C32 .2869(12) .0217(3) .3154(5) .0404(14)
  Cl31 .0137(4) .02270(10)
  .3414(2) .0701(8)
  Cl32 .3908(8) -.04960(10)
  .3222(2) .0898(10)
  Cl33 .4756(4) .06360(10)
  .4017(2) .0749(8)
  O41 .1347(8) .2189(2) .1109(3) .0363(12)
  O42 .0260(13) .2525(3) -.0361(4) .0916(14)
  C41 .0533(12) .2560(3) .0498(5) .0421(14)
  C42 -.0216(11) .3141(3) .0897(5) .0376(14)
  Cl41 .0587(6) .31910(10)
  .2131(2) .0961(9)
  Cl42 -.3253(4) .31750(10)
  .0568(2) .0795(10)
  Cl43 .0859(5) .37220(10)
  .0372(2) .0782(9)
  O1 .4433(11) .2087(2) -.0920(4) .0673(14)
  H11 .5017 .2075 -.0154 ?
  H12 .2827 .2199 -.1033 ?
  H111 .5544 .2392 .2988 ?
  H112 .3855 .2213 .2264 ?
  H121 .9674 .1859 .3589 ?
  H122 1.0136 .1476 .2767 ?
  H211 .3575 -.0235 -.1133 ?
  H212 .1171 -.0203 -.0622 ?
  H221 .4391 .1204 -.1111 ?
  H222 .5297 .0543 -.1190 ?
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
  Zn S1 . . 2.316(2) yes
  Zn S2 . . 2.291(2) yes
  Zn O31 . . 2.012(5) yes
  Zn O41 . . 2.000(5) yes
  S1 C11 . . 1.743(6) no
  C11 N11 . . 1.302(10) no
  C11 N12 . . 1.301(8) no
  S2 C21 . . 1.741(7) no
  C21 N21 . . 1.309(10) no
  C21 N22 . . 1.306(10) no
  O31 C31 . . 1.265(8) no
  O32 C31 . . 1.205(9) no
  C31 C32 . . 1.549(10) no
  C32 Cl31 . . 1.754(8) no
  C32 Cl32 . . 1.755(7) no
  C32 Cl33 . . 1.768(7) no
  O41 C41 . . 1.247(8) no
  O42 C41 . . 1.214(9) no
  C41 C42 . . 1.564(10) no
  C42 Cl41 . . 1.738(8) no
  C42 Cl42 . . 1.771(7) no
  C42 Cl43 . . 1.733(8) no
  N11 H111 . . .768(6) no
  N11 H112 . . 1.006(6) no
  N12 H121 . . 1.029(6) no
  N12 H122 . . .963(7) no
  N21 H211 . . 1.063(6) no
  N21 H212 . . .949(6) no
  N22 H221 . . .901(7) no
  N22 H222 . . .962(7) no
  O1 H11 . . 1.080(6) no
  O1 H12 . . .971(6) no