data_2014559 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2004 _journal_volume 60 _journal_page_first m520 _journal_page_last m522 _publ_section_title ; catena-Poly[[bis(quinoxaline-\kN)cobalt(II)]-di-(\m-dicyanamide-\k^2^N^1^:N^5^)] and catena-poly[[bis(quinoxaline-\kN)copper(II)]-di-(\m-dicyanamide-\k^2^N^1^:N^5^)] ; loop_ _publ_author_name 'Luo, Jun' 'Liu, Bao-Shu' 'Zhou, Xi-Geng' 'Weng, Lin-Hong' 'Li, Yan-Rong' 'Wu, Hui-Xia' _chemical_formula_moiety 'C20 H12 Co N10' _chemical_formula_sum 'C20 H12 Co N10' _chemical_formula_iupac '[Co (C2 N3)2 (C8 H6 N2)~2~]' _chemical_formula_weight 451.33 _symmetry_cell_setting 'Monoclinic' _symmetry_space_group_name_H-M 'C 2/c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' '-x, -y, -z' '-x, y, -z-1/2' '-x+1/2, -y+1/2, -z' '-x+1/2, y+1/2, -z-1/2' _cell_length_a 17.598(5) _cell_length_b 7.374(2) _cell_length_c 14.771(4) _cell_angle_alpha 90.00 _cell_angle_beta 101.894(4) _cell_angle_gamma 90.00 _cell_volume 1875.7(9) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.598 _diffrn_ambient_temperature 293(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 Co1 0.0000 0.38345(7) 0.2500 0.02737(18) Uani d S 1 . . Co N1 0.11641(13) 0.3799(3) 0.20844(15) 0.0311(5) Uani d . 1 . . N N2 0.24990(16) 0.3720(4) 0.12992(18) 0.0495(7) Uani d . 1 . . N N3 -0.03195(15) 0.5902(3) 0.15201(17) 0.0375(6) Uani d . 1 . . N N4 -0.04773(16) 0.8840(3) 0.07377(15) 0.0406(6) Uani d . 1 . . N N5 -0.03493(15) 1.1778(3) 0.15142(17) 0.0365(6) Uani d . 1 . . N C1 0.18943(16) 0.3834(4) 0.26355(18) 0.0311(6) Uani d . 1 . . C C2 0.19989(18) 0.3909(4) 0.36035(19) 0.0373(7) Uani d . 1 . . C H2 0.1570 0.3909 0.3880 0.045 Uiso calc R 1 . . H C3 0.27270(19) 0.3981(5) 0.4137(2) 0.0458(8) Uani d . 1 . . C H3 0.2789 0.4058 0.4776 0.055 Uiso calc R 1 . . H C4 0.33830(19) 0.3944(5) 0.3743(2) 0.0539(9) Uani d . 1 . . C H4 0.3876 0.3981 0.4120 0.065 Uiso calc R 1 . . H C5 0.3302(2) 0.3853(5) 0.2810(2) 0.0543(9) Uani d . 1 . . C H5 0.3741 0.3822 0.2551 0.065 Uiso calc R 1 . . H C6 0.25588(18) 0.3805(4) 0.2230(2) 0.0387(7) Uani d . 1 . . C C7 0.1796(2) 0.3667(5) 0.0804(2) 0.0474(8) Uani d . 1 . . C H7 0.1731 0.3593 0.0164 0.057 Uiso calc R 1 . . H C8 0.11320(18) 0.3718(4) 0.1191(2) 0.0394(7) Uani d . 1 . . C H8 0.0647 0.3692 0.0795 0.047 Uiso calc R 1 . . H C9 -0.03907(16) 0.7321(4) 0.11942(18) 0.0285(7) Uani d . 1 . . C C10 -0.04069(17) 1.0374(4) 0.11826(19) 0.0300(7) Uani d . 1 . . C 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 Co1 0.0331(3) 0.0181(3) 0.0310(3) 0.000 0.0066(2) 0.000 N1 0.0344(13) 0.0280(12) 0.0313(12) -0.0025(11) 0.0078(10) -0.0005(10) N2 0.0457(17) 0.067(2) 0.0403(15) -0.0120(16) 0.0186(12) -0.0055(15) N3 0.0463(16) 0.0265(14) 0.0397(14) -0.0002(11) 0.0085(12) 0.0023(11) N4 0.0679(18) 0.0242(12) 0.0271(12) -0.0025(13) 0.0038(11) 0.0005(11) N5 0.0440(16) 0.0263(13) 0.0392(15) -0.0044(11) 0.0084(12) -0.0041(11) C1 0.0341(15) 0.0256(14) 0.0343(14) -0.0027(13) 0.0088(11) -0.0009(13) C2 0.0376(16) 0.0392(17) 0.0360(16) -0.0010(15) 0.0093(12) -0.0030(14) C3 0.0418(18) 0.058(2) 0.0353(16) 0.0020(17) 0.0028(13) -0.0032(16) C4 0.0317(17) 0.079(3) 0.0487(19) -0.0043(19) 0.0016(14) -0.009(2) C5 0.0331(17) 0.080(3) 0.053(2) -0.004(2) 0.0164(15) -0.010(2) C6 0.0384(16) 0.0411(17) 0.0384(16) -0.0061(16) 0.0121(13) -0.0032(16) C7 0.053(2) 0.063(2) 0.0292(15) -0.0110(19) 0.0139(14) -0.0011(17) C8 0.0418(17) 0.0421(18) 0.0339(15) -0.0081(16) 0.0072(13) -0.0015(15) C9 0.0332(17) 0.0280(15) 0.0240(15) -0.0002(12) 0.0051(12) -0.0060(12) C10 0.0324(17) 0.0305(16) 0.0266(16) 0.0002(12) 0.0052(13) 0.0046(12) 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 Co1 N3 6_556 2.098(3) Y Co1 N3 . 2.098(3) N Co1 N5 1_545 2.104(3) Y Co1 N5 6_546 2.104(3) N Co1 N1 6_556 2.257(2) N Co1 N1 . 2.257(2) Y N1 C8 . 1.311(4) N N1 C1 . 1.372(3) N N2 C7 . 1.302(4) N N2 C6 . 1.359(4) N N3 C9 . 1.148(3) N N4 C9 . 1.300(4) N N4 C10 . 1.301(4) N N5 C10 . 1.141(4) N N5 Co1 1_565 2.104(3) N C1 C2 . 1.405(4) N C1 C6 . 1.420(4) N C2 C3 . 1.360(4) N C2 H2 . 0.9300 N C3 C4 . 1.396(5) N C3 H3 . 0.9300 N C4 C5 . 1.357(5) N C4 H4 . 0.9300 N C5 C6 . 1.408(4) N C5 H5 . 0.9300 N C7 C8 . 1.403(5) N C7 H7 . 0.9300 N C8 H8 . 0.9300 N