data_2006034
_journal_name_full  'Acta Crystallographica'
_journal_year 1997
_journal_volume 	C53
_journal_page_first 	415
_journal_page_last 	416
_publ_section_title 	
;
Dichlorobis[1-methyl-3-(prop-2-enyl)imidazole-2(3H)-thione-S]zinc(II)
;
_chemical_formula_iupac 	'[Zn1 Cl2 (C7 H10 N2 S1)2]'
_chemical_formula_moiety 	'Zn1 (S1 C7 H10 N2)2 Cl2'
_chemical_formula_sum 	'C14 H20 Cl2 N4 S2 Zn1'
_chemical_formula_analytical 	'C14.04 H20.0 Cl1.99 N4.02 S2 Zn1'
_chemical_formula_weight 	444.73
_symmetry_cell_setting 	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 '  +x, +y, +z'
 '  -x+0.5,   +y+0.5,   -z+0.5'
 '  -x,  -y,   -z'
 '  +x+0.5,   -y+0.5,  z+0.5'
_symmetry_space_group_name_H-M 	'P 21/n'
_cell_length_a 	14.0082(8)
_cell_length_b 	10.803(1)
_cell_length_c 	14.581(1)
_cell_angle_alpha 	90
_cell_angle_beta 	116.625(8)
_cell_angle_gamma 	90
_cell_volume 	1972.6(4)
_cell_formula_units_Z 	4
_exptl_crystal_density_diffrn 	1.50
_cell_measurement_temperature 	295
_refine_ls_R_factor_obs 	0.043
_refine_ls_wR_factor_obs 	0.044
loop_
_atom_site_label
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Zn(1) e .1382(1) .1410(1) .3257(1) .043(1)
 Cl(1) e .0693(2) .2735(2) .4008(2) .058(1)
 Cl(2) e .0086(2) .0158(2) .2160(1) .057(1)
 S(1) e .2284(1) .2409(2) .2420(1) .049(1)
 S(2) e .2773(2) .0316(2) .4603(1) .054(1)
 N(1) e .3803(4) .3343(5) .4234(4) .041(3)
 N(2) e .4351(4) .1734(5) .3740(4) .048(3)
 N(3) e .2396(5) .0989(5) .6218(4) .051(3)
 N(4) e .1573(5) -.0670(5) .5469(4) .050(3)
 C(1) e .3505(5) .2502(6) .3480(5) .040(3)
 C(2) e .4829(5) .3102(7) .4967(5) .047(3)
 C(3) e .5170(6) .2102(7) .4657(5) .053(3)
 C(4) e .3158(5) .4378(6) .4284(6) .059(4)
 C(5) e .4382(6) .0624(7) .3176(6) .072(5)
 C(6) e .5010(7) .0720(9) .2587(7) .076(5)
 C(7) e .5503(7) .1664(9) .2528(7) .089(6)
 C(8) e .2234(5) .0217(6) .5444(5) .042(3)
 C(9) e .1840(7) .0582(8) .6729(6) .067(5)
 C(10) e .1325(6) -.0457(8) .6270(6) .064(4)
 C(11) e .3062(7) .2117(8) .6476(6) .084(5)
 C(12) e .1185(7) -.1742(7) .4777(6) .070(5)
 C(13) e .1914(7) -.2853(8) .5236(7) .074(5)
 C(14) e .1627(8) -.3901(9) .5447(7) .097(6)
 H(2A) e .5227 .3570 .5582 0.147(9)
 H(3A) e .5855 .1712 .5008 0.147(9)
 H(4A) e .2473 .4353 .3693 0.147(9)
 H(4B) e .3063 .4313 .4895 0.147(9)
 H(4C) e .3507 .5145 .4292 0.147(9)
 H(5A) e .3660 .0412 .2707 0.147(9)
 H(5B) e .4666 -.0045 .3657 0.147(9)
 H(6A) e .5053 -.0003 .2224 0.147(9)
 H(7A) e .5482 .2408 .2878 0.147(9)
 H(7B) e .5894 .1647 .2130 0.147(9)
 H(9A) e .1822 .0970 .7314 0.147(9)
 H(10A) e .0866 -.0953 .6451 0.147(9)
 H(11A) e .3372 .2205 .6011 0.147(9)
 H(11B) e .2625 .2825 .6420 0.147(9)
 H(11C) e .3620 .2055 .7165 0.147(9)
 H(12A) e .1149 -.1534 .4122 0.147(9)
 H(12B) e .0479 -.1952 .4679 0.147(9)
 H(13A) e .2648 -.2754 .5374 0.147(9)
 H(14C) e .0900 -.4032 .5318 0.147(9)
 H(14A) e .2142 -.4552 .5740 0.147(9)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
 Zn(1) Cl(1) 2.264(3)
 Zn(1) Cl(2) 2.254(2)
 Zn(1) S(1) 2.374(3)
 Zn(1) S(2) 2.370(2)
 S(1) C(1) 1.719(6)
 S(2) C(8) 1.708(9)
 N(1) C(1) 1.340(8)
 N(1) C(2) 1.378(7)
 N(1) C(4) 1.460(9)
 N(2) C(1) 1.354(9)
 N(2) C(3) 1.373(8)
 N(2) C(5) 1.46(1)
 N(3) C(8) 1.338(9)
 N(3) C(9) 1.37(1)
 N(3) C(11) 1.48(1)
 N(4) C(8) 1.34(1)
 N(4) C(10) 1.38(1)
 N(4) C(12) 1.470(9)
 C(2) C(3) 1.34(1)
 C(5) C(6) 1.48(2)
 C(6) C(7) 1.26(1)
 C(9) C(10) 1.34(1)
 C(12) C(13) 1.52(1)
 C(13) C(14) 1.28(1)
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
 Zn(1) .042(1) -.001(1) .018(1) .041(1) .004(1) .043(1)
 Cl(1) .057(1) .002(1) .036(1) .049(1) -.004(1) .075(1)
 Cl(2) .061(1) -.018(1) .024(1) .058(1) -.005(1) .051(1)
 S(1) .047(1) -.011(1) .017(1) .059(1) .005(1) .040(1)
 S(2) .051(1) .016(1) .029(1) .065(1) .018(1) .053(1)
 N(1) .048(3) -.001(3) .020(3) .034(3) .004(3) .040(3)
 N(2) .047(4) -.006(3) .031(3) .042(4) -.009(3) .061(4)
 N(3) .063(4) -.001(3) .020(4) .043(4) -.003(3) .043(4)
 N(4) .054(4) -.001(3) .028(3) .047(4) .010(3) .054(4)
 C(1) .040(4) -.008(3) .017(3) .041(4) .004(3) .037(4)
 C(2) .035(4) -.002(4) .004(4) .052(5) .009(4) .041(4)
 C(3) .040(4) -.006(4) .016(4) .060(5) -.007(4) .053(5)
 C(4) .052(5) .004(4) .027(5) .043(4) -.009(4) .078(6)
 C(5) .062(6) -.006(5) .034(5) .065(6) -.027(5) .090(7)
 C(6) .086(7) .008(6) .029(6) .073(7) -.010(5) .065(6)
 C(7) .118(9) .001(7) .063(7) .078(7) .007(6) .088(7)
 C(8) .045(4) .002(3) .020(4) .038(4) .004(4) .043(4)
 C(9) .089(7) .013(5) .048(5) .070(6) .012(5) .059(5)
 C(10) .069(6) -.004(5) .041(5) .072(6) .017(5) .064(6)
 C(11) .099(7) -.024(5) .031(6) .060(6) -.015(5) .081(6)
 C(12) .096(7) -.012(5) .030(5) .044(5) -.002(4) .063(6)
 C(13) .077(6) -.001(5) .033(6) .052(6) -.004(5) .088(7)
 C(14) .125(9) .023(7) .058(7) .075(7) .017(6) .101(8)