data_2200208 _journal_name_full 'Acta Crystallographica, Section E' _journal_year 2001 _journal_volume 57 _journal_page_first m97 _journal_page_last m99 _publ_section_title ; Diazido[bis(2-pyridyl)amine-N,N']cobalt(III) perchlorate ; loop_ _publ_author_name 'Du, Miao' 'Guo, Ya-Mei' 'Leng, Xue-Bing' 'Bu, Xian-He' _chemical_formula_moiety 'C20 H18 Co N12 1+, Cl O4 1-' _chemical_formula_sum 'C20 H18 Cl Co N12 O4' _chemical_formula_iupac '[Co (C10 H9 N3)2 (N3)2] Cl O4' _chemical_formula_weight 584.84 _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.554(3) _cell_length_b 9.201(3) _cell_length_c 17.036(5) _cell_angle_alpha 74.903(5) _cell_angle_beta 78.792(5) _cell_angle_gamma 69.739(5) _cell_volume 1206.5(6) _cell_formula_units_Z 2 _cell_measurement_temperature 298(2) _exptl_crystal_density_diffrn 1.610 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 C1 .7676(5) .7893(4) .5736(2) .0367(9) Uani d . 1 . . C H1A .7323 .7811 .5271 .044 Uiso calc R 1 . . H C2 .8821(5) .8655(5) .5644(3) .0462(11) Uani d . 1 . . C H2A .9268 .9055 .5123 .055 Uiso calc R 1 . . H C3 .9327(5) .8839(5) .6328(3) .0492(11) Uani d . 1 . . C H3A 1.0062 .9414 .6273 .059 Uiso calc R 1 . . H C4 .8720(5) .8156(5) .7087(3) .0398(10) Uani d . 1 . . C H4A .9033 .8261 .7557 .048 Uiso calc R 1 . . H C5 .7627(4) .7302(4) .7142(2) .0298(8) Uani d . 1 . . C C6 .6858(4) .5043(4) .8048(2) .0310(8) Uani d . 1 . . C C7 .7273(6) .3942(5) .8770(2) .0483(11) Uani d . 1 . . C H7A .7664 .4199 .9172 .058 Uiso calc R 1 . . H C8 .7097(6) .2475(6) .8880(3) .0611(13) Uani d . 1 . . C H8A .7353 .1730 .9361 .073 Uiso calc R 1 . . H C9 .6535(6) .2112(5) .8268(3) .0534(12) Uani d . 1 . . C H9A .6448 .1109 .8324 .064 Uiso calc R 1 . . H C10 .6112(5) .3248(4) .7584(2) .0361(9) Uani d . 1 . . C H10A .5751 .2998 .7170 .043 Uiso calc R 1 . . H C11 .3957(5) .9296(4) .7261(3) .0386(10) Uani d . 1 . . C H11A .4421 .9746 .6756 .046 Uiso calc R 1 . . H C12 .3421(6) 1.0144(5) .7869(3) .0523(12) Uani d . 1 . . C H12A .3541 1.1143 .7780 .063 Uiso calc R 1 . . H C13 .2700(6) .9494(6) .8616(3) .0627(14) Uani d . 1 . . C H13A .2386 1.0025 .9045 .075 Uiso calc R 1 . . H C14 .2450(6) .8062(6) .8718(3) .0536(12) Uani d . 1 . . C H14A .1921 .7629 .9208 .064 Uiso calc R 1 . . H C15 .3007(5) .7262(5) .8073(2) .0332(9) Uani d . 1 . . C C16 .2431(4) .5306(4) .7528(2) .0291(8) Uani d . 1 . . C C17 .1341(5) .4417(4) .7694(2) .0354(9) Uani d . 1 . . C H17A .0857 .4135 .8226 .042 Uiso calc R 1 . . H C18 .0986(5) .3960(5) .7058(3) .0406(10) Uani d . 1 . . C H18A .0268 .3354 .7155 .049 Uiso calc R 1 . . H C19 .1707(5) .4408(5) .6279(2) .0407(10) Uani d . 1 . . C H19A .1427 .4166 .5838 .049 Uiso calc R 1 . . H C20 .2836(5) .5212(4) .6157(2) .0341(9) Uani d . 1 . . C H20A .3346 .5480 .5630 .041 Uiso calc R 1 . . H Cl1 .80533(15) .73567(13) .97951(6) .0493(3) Uani d . 1 . . Cl Co1 .51255(6) .64637(6) .65952(3) .02589(16) Uani d . 1 . . Co N1 .7026(4) .7245(3) .64837(17) .0277(7) Uani d . 1 . . N N2 .6196(4) .4735(3) .74800(17) .0272(7) Uani d . 1 . . N N3 .3833(4) .7827(3) .73715(18) .0298(7) Uani d . 1 . . N N4 .3242(4) .5633(3) .67755(17) .0280(7) Uani d . 1 . . N N5 .7146(4) .6479(4) .79074(18) .0332(7) Uani d . 1 . . N H5A .7020 .6895 .8322 .040 Uiso calc R 1 . . H N6 .2697(4) .5860(4) .81533(18) .0360(8) Uani d . 1 . . N H6A .2665 .5275 .8637 .043 Uiso calc R 1 . . H N7 .6284(4) .5224(4) .57756(18) .0336(7) Uani d . 1 . . N N8 .7596(4) .4174(4) .58621(19) .0354(8) Uani d . 1 . . N N9 .8830(5) .3143(5) .5897(2) .0600(11) Uani d . 1 . . N N10 .4035(4) .8227(4) .57553(19) .0386(8) Uani d . 1 . . N N11 .4306(4) .8115(4) .5044(2) .0378(8) Uani d . 1 . . N N12 .4501(5) .8100(4) .4356(2) .0607(11) Uani d . 1 . . N O1 .8988(5) .6877(6) .9072(2) .0985(15) Uani d . 1 . . O O2 .6778(7) .8716(6) .9598(4) .176(3) Uani d . 1 . . O O3 .7394(6) .6141(6) 1.0232(3) .1150(16) Uani d . 1 . . O O4 .9175(6) .7542(6) 1.0247(3) .1151(17) Uani d . 1 . . O 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 C1 .045(2) .036(2) .030(2) -.0189(19) .0011(18) -.0038(18) C2 .052(3) .047(3) .036(2) -.026(2) .005(2) .002(2) C3 .054(3) .047(3) .055(3) -.033(2) -.006(2) -.001(2) C4 .044(2) .039(2) .043(2) -.019(2) -.0093(19) -.007(2) C5 .030(2) .027(2) .030(2) -.0081(16) .0000(16) -.0070(16) C6 .031(2) .036(2) .024(2) -.0098(17) -.0032(16) -.0049(17) C7 .064(3) .055(3) .031(2) -.026(2) -.017(2) .002(2) C8 .083(4) .053(3) .045(3) -.030(3) -.027(3) .018(2) C9 .069(3) .036(2) .059(3) -.025(2) -.021(2) .006(2) C10 .041(2) .030(2) .040(2) -.0134(18) -.0070(18) -.0062(18) C11 .043(2) .028(2) .043(2) -.0080(18) -.0048(19) -.0089(18) C12 .060(3) .039(3) .064(3) -.012(2) -.006(2) -.027(2) C13 .075(4) .062(3) .060(3) -.019(3) .007(3) -.042(3) C14 .063(3) .068(3) .038(3) -.028(3) .008(2) -.027(2) C15 .031(2) .038(2) .031(2) -.0101(18) -.0011(16) -.0118(18) C16 .027(2) .029(2) .030(2) -.0068(16) -.0031(16) -.0062(16) C17 .035(2) .039(2) .030(2) -.0141(18) .0014(17) -.0043(18) C18 .034(2) .044(2) .050(3) -.0174(19) -.0017(19) -.016(2) C19 .040(2) .051(3) .041(2) -.018(2) -.0056(19) -.021(2) C20 .033(2) .043(2) .027(2) -.0112(18) -.0036(16) -.0113(18) Cl1 .0636(7) .0466(6) .0366(6) -.0180(6) -.0047(5) -.0065(5) Co1 .0290(3) .0274(3) .0211(3) -.0094(2) -.00143(19) -.0051(2) N1 .0306(17) .0269(16) .0237(16) -.0093(13) -.0006(13) -.0033(13) N2 .0296(16) .0265(16) .0245(16) -.0100(13) -.0058(13) .0001(13) N3 .0328(17) .0268(17) .0292(17) -.0072(14) -.0039(14) -.0075(14) N4 .0287(17) .0308(17) .0265(17) -.0098(13) -.0029(13) -.0090(14) N5 .0442(19) .0375(18) .0243(17) -.0189(16) -.0020(14) -.0100(14) N6 .048(2) .043(2) .0212(16) -.0224(16) .0007(14) -.0055(15) N7 .0323(18) .0387(19) .0275(17) -.0053(16) -.0029(14) -.0116(15) N8 .035(2) .047(2) .0335(19) -.0177(19) -.0010(15) -.0197(16) N9 .041(2) .071(3) .067(3) .003(2) -.011(2) -.038(2) N10 .044(2) .0376(19) .0293(19) -.0069(16) -.0087(15) -.0030(15) N11 .041(2) .0298(18) .037(2) -.0082(15) -.0104(16) .0021(16) N12 .094(3) .050(2) .031(2) -.015(2) -.017(2) .0002(18) O1 .105(3) .181(5) .049(2) -.086(3) .018(2) -.056(3) O2 .134(5) .077(3) .257(8) .016(3) -.055(5) .024(4) O3 .149(4) .108(3) .081(3) -.073(3) .009(3) .022(3) O4 .126(4) .172(5) .087(3) -.064(3) -.011(3) -.072(3) 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 C1 C2 . 1.354(5) no C1 N1 . 1.359(4) no C2 C3 . 1.387(6) no C3 C4 . 1.370(6) no C4 C5 . 1.391(5) no C5 N1 . 1.342(4) no C5 N5 . 1.391(4) no C6 N2 . 1.343(4) no C6 N5 . 1.379(5) no C6 C7 . 1.392(5) no C7 C8 . 1.370(6) no C8 C9 . 1.385(6) no C9 C10 . 1.360(5) no C10 N2 . 1.358(4) no C11 N3 . 1.354(5) no C11 C12 . 1.371(5) no C12 C13 . 1.383(7) no C13 C14 . 1.368(6) no C14 C15 . 1.397(5) no C15 N3 . 1.342(5) no C15 N6 . 1.373(5) no C16 N4 . 1.346(4) no C16 N6 . 1.380(4) no C16 C17 . 1.388(5) no C17 C18 . 1.378(5) no C18 C19 . 1.373(5) no C19 C20 . 1.364(5) no C20 N4 . 1.352(4) no Cl1 O2 . 1.358(4) no Cl1 O3 . 1.402(4) no Cl1 O4 . 1.418(4) no Cl1 O1 . 1.418(3) no Co1 N7 . 1.934(3) yes Co1 N10 . 1.952(3) yes Co1 N1 . 1.953(3) yes Co1 N4 . 1.953(3) yes Co1 N3 . 1.970(3) yes Co1 N2 . 1.980(3) yes N7 N8 . 1.206(4) yes N8 N9 . 1.149(4) yes N10 N11 . 1.213(4) yes N11 N12 . 1.154(5) yes