data_2007024
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  217
_journal_page_last  219
_publ_section_title
;
Bis[di-2-pyridylmethanediolato(1-)-N,N',O]cobalt(III) Perchlorate
 Trihydrate
;
loop_
_publ_author_name
  'Tong, Ming-Liang'
  'Yang, Guang'
  'Chen, Xiao-Ming'
  'Ng, Seik Weng'
_chemical_formula_sum  'C22 H24 Cl Co N4 O11'
_chemical_formula_iupac  '[Co(C11 H9 N2 O2 )2] (Cl O4) , 3H2 O'
_chemical_formula_weight  614.83
_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  8.6342(3)
_cell_length_b  11.6080(5)
_cell_length_c  13.3840(10)
_cell_angle_alpha  91.988(5)
_cell_angle_beta  108.291(5)
_cell_angle_gamma  95.861(3)
_cell_volume  1263.80(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.616
_diffrn_ambient_temperature  298(2)
_refine_ls_R_factor_obs  .0325
_refine_ls_wR_factor_obs  .0778
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Co1  .30522(2)  .66206(2)  .31319(2)  .02627(5) Uani d . 1 . Co
  O1  .47670(10)
  .64040(10)
  .25857(8)  .0307(3) Uani d . 1 . O
  O2  .49480(10)
  .61270(10)
  .09014(9)  .0398(3) Uani d . 1 . O
  H2H  .58110(10)
  .67660(10)
  .10013(9)  .080 Uiso d R 1 . H
  O3  .35810(10)
  .55130(10)
  .41347(8)  .0295(3) Uani d . 1 . O
  O4  .38150(10)
  .54730(10)
  .59107(9)  .0383(3) Uani d . 1 . O
  H4H  .46360(10)
  .51460(10)
  .59291(9)  .080 Uiso d R 1 . H
  H3  .23360(10)
  .96200(10)
  -.00821(9)  .080 Uiso d R 1 . H
  N1  .2583(2)  .77530(10)
  .20760(10)
  .0305(3) Uani d . 1 . N
  N2  .1862(2)  .54060(10)
  .20670(10)
  .0300(3) Uani d . 1 . N
  N3  .4546(2)  .76690(10)
  .42580(10)
  .0305(3) Uani d . 1 . N
  N4  .1306(2)  .67580(10)
  .37420(10)
  .0304(3) Uani d . 1 . N
  C1  .1872(2)  .8724(2)  .20570(10)
  .0394(5) Uani d . 1 . C
  H1  .1487(2)  .8864(2)  .25910(10)
  .080 Uiso d R 1 . H
  C2  .1740(3)  .9453(2)  .1251(2)  .0498(6) Uani d . 1 . C
  H2  .1247(3) 1.0136(2)  .1277(2)  .080 Uiso d R 1 . H
  C3  .2347(3)  .9167(2)  .0456(2)  .0501(6) Uani d . 1 . C
  C4  .3069(2)  .8165(2)  .04660(10)
  .0408(5) Uani d . 1 . C
  H4  .3487(2)  .7943(2)  -.00110(10)
  .080 Uiso d R 1 . H
  C5  .3178(2)  .74730(10)
  .12930(10)
  .0315(4) Uani d . 1 . C
  C6  .3950(2)  .63430(10)
  .15070(10)
  .0314(4) Uani d . 1 . C
  C7  .2562(2)  .53500(10)
  .13030(10)
  .0312(4) Uani d . 1 . C
  C8  .2100(2)  .4465(2)  .05230(10)
  .0396(5) Uani d . 1 . C
  H8  .2619(2)  .4441(2)  .00210(10)
  .080 Uiso d R 1 . H
  C9  .0894(2)  .3595(2)  .0554(2)  .0460(5) Uani d . 1 . C
  H9  .0577(2)  .2937(2)  .0067(2)  .080 Uiso d R 1 . H
  C10  .0175(2)  .3657(2)  .1334(2)  .0469(5) Uani d . 1 . C
  H10  -.0560(2)  .3072(2)  .1391(2)  .080 Uiso d R 1 . H
  C11  .0682(2)  .4576(2)  .20870(10)
  .0391(5) Uani d . 1 . C
  H11  .0251(2)  .4645(2)  .26170(10)
  .080 Uiso d R 1 . H
  C12  .5546(2)  .8612(2)  .42040(10)
  .0382(4) Uani d . 1 . C
  H1B  .5430(2)  .8859(2)  .35490(10)
  .080 Uiso d R 1 . H
  C13  .6740(2)  .9125(2)  .5099(2)  .0495(5) Uani d . 1 . C
  H13  .7429(2)  .9736(2)  .5033(2)  .080 Uiso d R 1 . H
  C14  .6899(2)  .8667(2)  .6048(2)  .0524(6) Uani d . 1 . C
  H14  .7698(2)  .8925(2)  .6642(2)  .080 Uiso d R 1 . H
  C15  .5852(2)  .7707(2)  .61090(10)
  .0435(5) Uani d . 1 . C
  H15  .5897(2)  .7405(2)  .67250(10)
  .080 Uiso d R 1 . H
  C16  .4700(2)  .7228(2)  .51890(10)
  .0314(4) Uani d . 1 . C
  C17  .3510(2)  .6123(2)  .50450(10)
  .0309(4) Uani d . 1 . C
  C18  .1776(2)  .64680(10)
  .47450(10)
  .0301(4) Uani d . 1 . C
  C19  .0764(2)  .6454(2)  .53560(10)
  .0384(4) Uani d . 1 . C
  H19  .1144(2)  .6287(2)  .60350(10)
  .080 Uiso d R 1 . H
  C20  -.0825(2)  .6699(2)  .4893(2)  .0472(5) Uani d . 1 . C
  H20  -.1521(2)  .6687(2)  .5294(2)  .080 Uiso d R 1 . H
  C21  -.1334(2)  .6961(2)  .3858(2)  .0474(5) Uani d . 1 . C
  H21  -.2394(2)  .7077(2)  .3534(2)  .080 Uiso d R 1 . H
  C22  -.0242(2)  .6999(2)  .3298(2)  .0389(5) Uani d . 1 . C
  H22  -.0525(2)  .7148(2)  .2578(2)  .080 Uiso d R 1 . H
  O1W  .7269(2)  .78610(10)
  .08610(10)
  .0568(4) Uani d . 1 . O
  H1WA  .7261(2)  .84840(10)
  .12780(10)
  .080 Uiso d R 1 . H
  H1WB  .6775(2)  .79840(10)
  .01550(10)
  .080 Uiso d R 1 . H
  O2W  .3573(2)  .5828(2)  .80020(10)
  .0709(5) Uani d . 1 . O
  H2WA  .3676(2)  .5613(2)  .73300(10)
  .080 Uiso d R 1 . H
  H2WB  .3940(2)  .5237(2)  .84490(10)
  .080 Uiso d R 1 . H
  O3W  .5612(2)  .7958(2)  -.12650(10)
  .0806(6) Uani d . 1 . O
  H3WA  .5018(2)  .8569(2)  -.14870(10)
  .080 Uiso d R 1 . H
  H3WB  .4887(2)  .7315(2)  -.15030(10)
  .080 Uiso d R 1 . H
  Cl1  .19539(6)  .94477(4)  .73286(4)  .05360(10)
  Uani d D 1 . Cl
  O5  .3330(4)  .9998(4)  .8124(3)  .144(2) Uani d PD  .70 1 O
  O6  .2543(5)  .8906(3)  .6622(3)  .1320(10)
  Uani d PD  .70 1 O
  O7  .1050(4) 1.0322(3)  .6853(3)  .1420(10)
  Uani d PD  .70 1 O
  O8  .1012(4)  .8719(3)  .7746(3)  .1400(10)
  Uani d PD  .70 1 O
  O5'  .1330(10)
  .9447(7)  .6235(4)  .111(3) Uani d PD  .30 2 O
  O6'  .1880(10)
  .8269(5)  .7589(7)  .112(3) Uani d PD  .30 2 O
  O7'  .0984(7) 1.0024(6)  .7770(6)  .111(2) Uani d PD  .30 2 O
  O8'  .3635(7)  .9826(7)  .7751(7)  .117(3) Uani d PD  .30 2 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
  Co1  .02221(9)  .02859(11)  .02705(10)  .00418(8)  .00624(8)  .00132(8)
  O1  .0239(5)  .0349(6)  .0328(5)  .0038(4)  .0087(4)  .0014(5)
  O2  .0421(6)  .0415(7)  .0443(6)  .0022(5)  .0269(5)  -.0001(5)
  O3  .0298(5)  .0324(6)  .0278(5)  .0095(4)  .0095(4)  .0051(4)
  O4  .0381(6)  .0494(7)  .0330(6)  .0170(5)  .0143(5)  .0138(5)
  N1  .0293(6)  .0304(7)  .0294(6)  .0033(5)  .0060(5)  .0015(5)
  N2  .0257(6)  .0330(7)  .0292(6)  .0022(5)  .0062(5)  .0026(5)
  N3  .0253(6)  .0322(7)  .0340(7)  .0046(5)  .0093(5)  -.0005(6)
  N4  .0243(6)  .0325(7)  .0333(7)  .0072(5)  .0066(5)  .0018(6)
  C1  .0419(9)  .0332(9)  .0402(9)  .0089(7)  .0080(7)  .0016(7)
  C2  .0570(11)  .0377(10)  .0503(11)  .0127(9)  .0083(9)  .0089(8)
  C3  .0567(11)  .0418(10)  .0454(10)  .0010(9)  .0075(9)  .0166(8)
  C4  .0415(9)  .0432(10)  .0350(9)  -.0033(8)  .0104(7)  .0063(8)
  C5  .0269(7)  .0316(8)  .0318(8)  -.0014(7)  .0055(6)  -.0010(7)
  C6  .0305(7)  .0335(8)  .0318(8)  .0015(7)  .0129(6)  .0013(6)
  C7  .0294(7)  .0323(8)  .0314(8)  .0060(6)  .0081(6)  .0028(6)
  C8  .0400(9)  .0410(9)  .0365(9)  .0046(8)  .0110(7)  -.0050(7)
  C9  .0439(10)  .0383(10)  .0480(10)  -.0030(8)  .0074(8)  -.0096(8)
  C10  .0406(9)  .0417(10)  .0507(11)  -.0114(8)  .0089(8)  .0008(8)
  C11  .0335(8)  .0421(10)  .0383(9)  -.0041(8)  .0094(7)  .0034(8)
  C12  .0348(8)  .0337(9)  .0471(9)  .0006(7)  .0161(7)  -.0017(7)
  C13  .0417(10)  .0432(11)  .0597(12)  -.0059(8)  .0151(9)  -.0092(9)
  C14  .0410(10)  .0578(12)  .0480(11)  -.0029(9)  .0045(9)  -.0198(9)
  C15  .0390(9)  .0565(11)  .0322(9)  .0075(8)  .0077(7)  -.0054(8)
  C16  .0229(7)  .0383(9)  .0332(8)  .0088(6)  .0084(6)  -.0032(7)
  C17  .0266(7)  .0382(9)  .0290(7)  .0086(7)  .0086(6)  .0053(6)
  C18  .0264(7)  .0285(8)  .0354(8)  .0044(6)  .0095(6)  .0014(6)
  C19  .0370(8)  .0398(9)  .0421(9)  .0068(7)  .0175(7)  .0018(7)
  C20  .0354(8)  .0518(11)  .0623(11)  .0089(8)  .0263(8)  .0002(9)
  C21  .0248(8)  .0526(11)  .0635(12)  .0116(8)  .0106(8)  -.0008(9)
  C22  .0262(8)  .0427(10)  .0444(10)  .0101(7)  .0046(7)  .0010(8)
  O1W  .0593(8)  .0542(8)  .0559(8)  .0006(7)  .0195(7)  -.0018(7)
  O2W  .0821(9)  .0851(11)  .0575(8)  .0352(8)  .0303(7)  .0160(8)
  O3W  .0916(12)  .0850(12)  .0660(10)  .0198(10)  .0218(9)  .0190(9)
  Cl1  .0596(3)  .0465(3)  .0548(3)  .0012(2)  .0202(2)  .0040(2)
  O5  .081(2)  .165(3)  .155(3)  -.025(2)  .017(2)  -.091(2)
  O6  .173(3)  .112(2)  .133(2)  .031(2)  .081(2)  -.031(2)
  O7  .146(3)  .110(2)  .201(3)  .073(2)  .073(2)  .082(2)
  O8  .111(2)  .165(3)  .139(2)  -.031(2)  .039(2)  .081(2)
  O5'  .162(7)  .118(6)  .047(3)  -.001(5)  .028(4)  .017(4)
  O6'  .134(6)  .052(4)  .160(7)  .008(4)  .059(5)  .034(4)
  O7'  .102(4)  .130(5)  .115(5)  .073(4)  .041(4)  -.016(4)
  O8'  .044(3)  .096(5)  .199(8)  .004(3)  .018(4)  .057(5)
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 O1 . 1.8790(10)
  yes
  Co1 O3 . 1.8760(10)
  yes
  Co1 N1 . 1.9410(10)
  yes
  Co1 N2 . 1.9290(10)
  yes
  Co1 N3 . 1.9360(10)
  yes
  Co1 N4 . 1.9440(10)
  yes
  O1 C6 . 1.389(2) yes
  O2 C6 . 1.389(2) yes
  O2 O1W . 2.706(2) no
  O2 O2W 2_666 2.930(2) no
  O3 C17 . 1.409(2) yes
  O3 O4 2_666 2.641(2) no
  O4 C17 . 1.376(2) yes
  O4 O2W . 2.890(2) no
  N1 C1 . 1.335(2) ?
  N1 C5 . 1.347(2) ?
  N2 C11 . 1.336(2) ?
  N2 C7 . 1.344(2) ?
  N3 C16 . 1.337(2) ?
  N3 C12 . 1.342(2) ?
  N4 C18 . 1.340(2) ?
  N4 C22 . 1.344(2) ?
  C1 C2 . 1.377(3) ?
  C2 C3 . 1.370(3) ?
  C3 C4 . 1.373(3) ?
  C4 C5 . 1.375(2) ?
  C5 C6 . 1.527(2) ?
  C6 C7 . 1.526(2) ?
  C7 C8 . 1.372(2) ?
  C8 C9 . 1.386(3) ?
  C9 C10 . 1.375(3) ?
  C10 C11 . 1.378(3) ?
  C12 C13 . 1.379(2) ?
  C13 C14 . 1.367(3) ?
  C14 C15 . 1.383(3) ?
  C15 C16 . 1.373(2) ?
  C16 C17 . 1.525(2) ?
  C17 C18 . 1.523(2) ?
  C18 C19 . 1.372(3) ?
  C19 C20 . 1.380(2) ?
  C20 C21 . 1.371(3) ?
  C21 C22 . 1.375(3) ?
  O1W O3W . 2.767(2) no
  O1W O5 2_676 2.960(4) no
  O2W O3W 1_556 2.835(3) no
  Cl1 O8 . 1.366(3) ?
  Cl1 O6 . 1.369(4) ?
  Cl1 O7' . 1.377(6) ?
  Cl1 O5' . 1.392(5) ?
  Cl1 O7 . 1.393(3) ?
  Cl1 O5 . 1.399(3) ?
  Cl1 O8' . 1.399(6) ?
  Cl1 O6' . 1.424(6) ?