data_2005003 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 1412 _journal_page_last 1415 _publ_section_title ; Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate (1) at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K ; _chemical_formula_moiety '2(C4 H7 N2 S1 +),Cu1 Cl4 2-' _chemical_formula_sum 'C8 H14 Cl4 Cu N4 S2' _chemical_formula_weight 435.69 _symmetry_cell_setting Triclinic loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _symmetry_space_group_name_H-M 'P -1' _cell_length_a 7.750(3) _cell_length_b 8.474(3) _cell_length_c 13.683(7) _cell_angle_alpha 104.49(4) _cell_angle_beta 100.02(3) _cell_angle_gamma 102.83(3) _cell_volume 822.8(6) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.759 _cell_measurement_temperature 100(2) loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cu 1 0.04273(5) 0.56510(4) 0.73951(3) 0.0152(1) Cl(1) 1 -0.24922(9) 0.50663(9) 0.65045(5) 0.0174(2) Cl(2) 1 -0.01280(9) 0.36141(9) 0.81998(5) 0.0193(2) Cl(3) 1 0.29126(9) 0.51632(9) 0.68978(5) 0.0187(2) Cl(4) 1 0.12985(10) 0.84939(9) 0.78438(5) 0.0189(2) S(1) 1 -0.33589(10) 0.24912(10) 0.98316(6) 0.0196(2) N(11) 1 -0.6411(3) 0.2974(3) 0.9189(2) 0.0162(5) H11 1 -0.7267(44) 0.3286(39) 0.8830(24) 0.010(8) N(12) 1 -0.4328(4) 0.3620(4) 0.8193(2) 0.0200(6) H12 1 -0.5035(58) 0.3984(52) 0.7836(32) 0.036(11) H13 1 -0.3334(48) 0.3662(38) 0.8112(23) 0.008(8) C(11) 1 -0.5073(4) 0.2096(4) 1.0488(2) 0.0211(7) H14 1 -0.4941(4) 0.1713(4) 1.1070(2) 0.017(8) C(12) 1 -0.6595(4) 0.2406(4) 1.0057(2) 0.0183(6) C(13) 1 -0.4779(4) 0.3091(4) 0.8965(2) 0.0161(6) C(14) 1 -0.8363(4) 0.2231(5) 1.0367(3) 0.0252(7) H15 1 -0.9195(4) 0.2556(5) 0.9901(3) 0.221(49) H16 1 -0.8161(4) 0.2952(5) 1.1064(3) 0.302(66) H17 1 -0.8872(4) 0.1073(5) 1.0335(3) 0.184(39) S(2) 1 -0.23738(10) -0.10552(9) 0.41566(6) 0.0196(2) N(21) 1 -0.2679(3) 0.1000(3) 0.5770(2) 0.0179(5) H21 1 -0.2678(55) 0.1938(54) 0.6163(32) 0.038(11) N(22) 1 -0.2005(4) 0.2287(4) 0.4495(2) 0.0246(6) H22 1 -0.2144(45) 0.3201(47) 0.4853(28) 0.018(9) H23 1 -0.1815(60) 0.2209(56) 0.3904(37) 0.047(13) C(23) 1 -0.2328(4) 0.0969(4) 0.4842(2) 0.0181(6) C(22) 1 -0.2976(4) -0.0548(4) 0.5983(2) 0.0176(6) C(21) 1 -0.2867(4) -0.1787(4) 0.5187(2) 0.0201(6) H24 1 -0.3035(4) -0.2909(4) 0.5185(2) 0.027(9) C(24) 1 -0.3348(5) -0.0652(4) 0.7011(2) 0.0240(7) H25 1 -0.3339(5) 0.0448(4) 0.7424(2) 0.178(38) H26 1 -0.2422(5) -0.1034(4) 0.7371(2) 0.218(46) H27 1 -0.4520(5) -0.1438(4) 0.6894(2) 0.199(42)