data_2014634 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2005 _journal_volume 61 _journal_page_first m43 _journal_page_last m45 _publ_section_title ; Bis(2-amino-6-methylpyridinium) tetrachlorozincate(II) ; loop_ _publ_author_name ' Zhi-Min Jin ' ' Nan Shun ' ' Ya-Ping L\"u ' ' Mao-Lin Hu ' 'Liang Shen' _chemical_formula_moiety '2C6 H9 N2 +, Cl4 Zn 2-' _chemical_formula_sum 'C12 H18 Cl4 N4 Zn1' _chemical_formula_iupac '(C6 H9 N2)2 [Zn Cl4]' _chemical_formula_weight 425.49 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 7.6642(8) _cell_length_b 7.9235(8) _cell_length_c 15.6651(16) _cell_angle_alpha 81.177(2) _cell_angle_beta 79.128(2) _cell_angle_gamma 89.983(2) _cell_volume 922.77(16) _cell_formula_units_Z 2 _cell_measurement_temperature 273(2) _exptl_crystal_density_diffrn 1.531 _diffrn_ambient_temperature 273(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Cl1 0.62077(14) 0.03528(12) 0.34772(7) 0.0989(4) Uani d . 1 . . Cl Cl2 1.04628(10) 0.29249(13) 0.29792(6) 0.0781(3) Uani d . 1 . . Cl Cl3 0.93550(11) 0.04961(12) 0.13449(6) 0.0789(3) Uani d . 1 . . Cl Cl4 0.67477(11) 0.42709(9) 0.18962(5) 0.0620(2) Uani d . 1 . . Cl Zn 0.81829(4) 0.19389(4) 0.24287(2) 0.04909(13) Uani d . 1 . . Zn N1 0.8096(3) 0.4174(3) 0.46278(16) 0.0539(6) Uani d . 1 . . N H1 0.8664 0.3668 0.4216 0.065 Uiso calc R 1 . . H N2 0.8056(4) 0.6540(3) 0.35723(17) 0.0749(8) Uani d . 1 . . N H21 0.8616 0.5979 0.3182 0.090 Uiso calc R 1 . . H H22 0.7771 0.7578 0.3421 0.090 Uiso calc R 1 . . H C1 0.7634(4) 0.5805(4) 0.44064(19) 0.0526(7) Uani d . 1 . . C C2 0.6738(4) 0.6628(4) 0.5087(2) 0.0565(7) Uani d . 1 . . C H2 0.6400 0.7755 0.4968 0.068 Uiso calc R 1 . . H C3 0.6375(4) 0.5766(4) 0.5913(2) 0.0655(8) Uani d . 1 . . C H3A 0.5796 0.6316 0.6365 0.079 Uiso calc R 1 . . H C4 0.6843(4) 0.4080(4) 0.6109(2) 0.0672(8) Uani d . 1 . . C H4 0.6554 0.3502 0.6683 0.081 Uiso calc R 1 . . H C5 0.7724(4) 0.3280(4) 0.5456(2) 0.0606(8) Uani d . 1 . . C C6 0.8322(5) 0.1475(4) 0.5559(3) 0.0832(10) Uani d . 1 . . C H6A 0.7794 0.0853 0.5188 0.125 Uiso calc R 1 . . H H6B 0.7962 0.0948 0.6162 0.125 Uiso calc R 1 . . H H6C 0.9593 0.1466 0.5394 0.125 Uiso calc R 1 . . H N3 0.6018(3) 0.2936(3) 0.01523(16) 0.0529(6) Uani d . 1 . . N H3 0.6432 0.3348 0.0554 0.064 Uiso calc R 1 . . H N4 0.3409(4) 0.2346(4) 0.1155(2) 0.0832(9) Uani d . 1 . . N H41 0.3897 0.2751 0.1535 0.100 Uiso calc R 1 . . H H42 0.2327 0.1960 0.1297 0.100 Uiso calc R 1 . . H C7 0.4326(4) 0.2317(3) 0.0348(2) 0.0552(7) Uani d . 1 . . C C8 0.3651(4) 0.1688(4) -0.0312(2) 0.0620(8) Uani d . 1 . . C H8 0.2486 0.1264 -0.0206 0.074 Uiso calc R 1 . . H C9 0.4715(5) 0.1702(4) -0.1108(2) 0.0696(9) Uani d . 1 . . C H9 0.4267 0.1288 -0.1551 0.084 Uiso calc R 1 . . H C10 0.6461(5) 0.2323(4) -0.1277(2) 0.0683(8) Uani d . 1 . . C H10 0.7177 0.2307 -0.1825 0.082 Uiso calc R 1 . . H C11 0.7114(4) 0.2948(4) -0.0644(2) 0.0556(7) Uani d . 1 . . C C12 0.8956(4) 0.3660(5) -0.0732(2) 0.0762(9) Uani d . 1 . . C H12A 0.9646 0.3512 -0.1293 0.114 Uiso calc R 1 . . H H12B 0.9498 0.3070 -0.0271 0.114 Uiso calc R 1 . . H H12C 0.8908 0.4855 -0.0687 0.114 Uiso calc R 1 . . 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 Cl1 0.0849(7) 0.0693(6) 0.1105(8) 0.0064(5) 0.0310(5) 0.0249(5) Cl2 0.0510(4) 0.1244(7) 0.0711(5) 0.0065(4) -0.0133(4) -0.0512(5) Cl3 0.0546(5) 0.0959(6) 0.0971(6) 0.0014(4) -0.0042(4) -0.0614(5) Cl4 0.0708(5) 0.0528(4) 0.0609(5) 0.0095(3) -0.0109(4) -0.0068(3) Zn 0.0445(2) 0.0515(2) 0.0500(2) 0.00078(14) -0.00280(14) -0.01168(15) N1 0.0515(14) 0.0550(14) 0.0563(15) 0.0033(11) -0.0031(11) -0.0208(12) N2 0.096(2) 0.0630(16) 0.0596(17) 0.0064(15) 0.0002(14) -0.0100(13) C1 0.0506(16) 0.0547(16) 0.0544(17) -0.0010(13) -0.0083(13) -0.0170(14) C2 0.0553(17) 0.0560(16) 0.0625(19) 0.0052(13) -0.0112(14) -0.0228(15) C3 0.0567(18) 0.085(2) 0.061(2) 0.0088(16) -0.0092(15) -0.0354(18) C4 0.067(2) 0.083(2) 0.0510(18) 0.0000(17) -0.0092(15) -0.0112(17) C5 0.0512(17) 0.0638(18) 0.068(2) -0.0031(14) -0.0151(15) -0.0087(16) C6 0.080(2) 0.063(2) 0.102(3) 0.0045(18) -0.015(2) -0.002(2) N3 0.0471(14) 0.0543(13) 0.0586(15) -0.0004(11) -0.0104(11) -0.0122(11) N4 0.0521(16) 0.100(2) 0.095(2) -0.0093(15) 0.0129(15) -0.0417(18) C7 0.0442(16) 0.0484(15) 0.072(2) 0.0054(12) -0.0073(14) -0.0109(14) C8 0.0484(17) 0.0544(17) 0.087(2) 0.0055(14) -0.0254(17) -0.0074(16) C9 0.079(2) 0.071(2) 0.066(2) 0.0025(17) -0.0382(18) -0.0024(17) C10 0.072(2) 0.083(2) 0.0477(17) 0.0007(17) -0.0140(15) -0.0002(16) C11 0.0489(16) 0.0550(16) 0.0588(18) 0.0021(13) -0.0084(14) 0.0014(14) C12 0.057(2) 0.088(2) 0.076(2) -0.0113(17) -0.0034(16) -0.0011(19) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Cl1 Zn . 2.2358(9) y Cl2 Zn . 2.2767(8) y Cl3 Zn . 2.2396(8) y Cl4 Zn . 2.2786(8) y N1 C1 . 1.351(4) y N1 C5 . 1.359(4) y N1 H1 . 0.8600 ? N2 C1 . 1.326(4) y N2 H21 . 0.8600 ? N2 H22 . 0.8600 ? C1 C2 . 1.403(4) y C2 C3 . 1.347(4) y C2 H2 . 0.9300 ? C3 C4 . 1.387(4) y C3 H3A . 0.9300 ? C4 C5 . 1.357(4) y C4 H4 . 0.9300 ? C5 C6 . 1.496(4) y C6 H6A . 0.9600 ? C6 H6B . 0.9600 ? C6 H6C . 0.9600 ? N3 C7 . 1.350(4) y N3 C11 . 1.365(4) y N3 H3 . 0.8600 ? N4 C7 . 1.329(4) y N4 H41 . 0.8600 ? N4 H42 . 0.8600 ? C7 C8 . 1.394(4) y C8 C9 . 1.354(5) y C8 H8 . 0.9300 ? C9 C10 . 1.389(5) y C9 H9 . 0.9300 ? C10 C11 . 1.348(4) y C10 H10 . 0.9300 ? C11 C12 . 1.495(4) y C12 H12A . 0.9600 ? C12 H12B . 0.9600 ? C12 H12C . 0.9600 ?