data_2005002 _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_iupac '(C4 H7 N2 S)2 [Cu Cl4]' _chemical_formula_moiety '2(C4 H6 Cl1 N2 S1 +),Cu Cl4 2-' _chemical_formula_sum 'C8 H12 Cl6 Cu N4 S2' _chemical_formula_weight 504.58 _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 8.168(2) _cell_length_b 10.919(4) _cell_length_c 11.437(8) _cell_angle_alpha 64.24(5) _cell_angle_beta 80.03(3) _cell_angle_gamma 84.72(3) _cell_volume 904.7(8) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.852 _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 0.29680(4) 0.22133(3) 0.69792(3) 0.0137(1) Cl(1) 1 0.05996(9) 0.10175(7) 0.77786(7) 0.0185(2) Cl(2) 1 0.43307(9) 0.38650(7) 0.70719(7) 0.0193(2) Cl(3) 1 0.22812(9) 0.34353(7) 0.49761(7) 0.0194(2) Cl(4) 1 0.46890(9) 0.05073(7) 0.80152(7) 0.0208(2) Cl(5) 1 0.09662(10) 0.23833(7) 1.23378(7) 0.0236(2) S(1) 1 -0.14561(10) 0.42449(7) 0.81731(7) 0.0216(2) N(11) 1 -0.0938(3) 0.2063(3) 1.0144(2) 0.0166(5) H11 1 -0.0949(84) 0.1394(67) 1.0617(66) 0.092(6) N(12) 1 -0.3323(3) 0.2004(3) 0.9295(3) 0.0237(6) H12 1 -0.4551(3) 0.2176(3) 0.9691(3) 0.092(6) H13 1 -0.3385(3) 0.1512(3) 0.8680(3) 0.092(6) C(14) 1 0.1725(4) 0.2382(4) 1.0758(3) 0.0258(7) H15 1 0.2097(4) 0.1363(4) 1.0895(3) 0.092(6) H16 1 0.2762(4) 0.3042(4) 1.0297(3) 0.092(6) C(12) 1 0.0402(4) 0.2884(3) 0.9907(3) 0.0192(6) C(13) 1 -0.2007(4) 0.2611(3) 0.9290(3) 0.0175(6) C(11) 1 0.0316(4) 0.4089(3) 0.8886(3) 0.0215(7) H14 1 0.1078(4) 0.4972(3) 0.8406(3) 0.092(6) Cl(6) 1 0.56993(12) 0.36699(9) 0.14419(8) 0.0325(2) S(2) 1 0.84760(10) 0.09628(8) 0.54525(8) 0.0209(2) N(21) 1 0.6575(3) 0.2942(3) 0.4327(2) 0.0169(5) H21 1 0.6050(77) 0.3645(65) 0.4131(62) 0.092(6) N(22) 1 0.8189(3) 0.3358(3) 0.5621(3) 0.0212(6) H22 1 0.7771(3) 0.3241(3) 0.6590(3) 0.092(6) H23 1 0.9290(3) 0.3949(3) 0.5243(3) 0.092(6) C(24) 1 0.5086(4) 0.2239(4) 0.2997(3) 0.0259(7) H25 1 0.4946(4) 0.1341(4) 0.2866(3) 0.092(6) H26 1 0.3923(4) 0.2513(4) 0.3407(3) 0.092(6) C(22) 1 0.6304(4) 0.1964(3) 0.3909(3) 0.0193(6) C(23) 1 0.7709(3) 0.2591(3) 0.5128(3) 0.0146(6) C(21) 1 0.7231(4) 0.0847(3) 0.4413(3) 0.0226(7) H24 1 0.7375(4) -0.0091(3) 0.4313(3) 0.092(6)