data_2008592
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  896
_journal_page_last  899
_publ_section_title
;
A neutral cobalt(II) complex of a Schiff base ligand containing mixed
O~2~S~2~N~2~ donors
;
loop_
_publ_author_name
  'Hoong-Kun Fun'
  'S. Shanmuga Sundara Raj'
  'Xu-Hui Zhu'
  'Xiao-Feng Chen'
  'Jing-Lin Zuo'
  'Xiao-Zeng You'
_chemical_formula_sum  'C32 H28 Co N4 O2 S4'
_chemical_formula_iupac  '[Co (C32 H28 N4 O2 S4)]'
_chemical_formula_weight  687.75
_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  15.5780(10)
_cell_length_b  22.4280(10)
_cell_length_c  19.4060(10)
_cell_angle_alpha  90.00
_cell_angle_beta  108.830(10)
_cell_angle_gamma  90.00
_cell_volume  6417.2(2)
_cell_formula_units_Z  8
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.424
_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_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Co1  .87056(3)  .11300(2)  .57451(3)  .04840(15) Uani d . 1 . Co
  S1 1.12471(7)  .21163(4)  .54404(7)  .0718(3) Uani d . 1 . S
  S2  .94856(6)  .19956(4)  .56312(6)  .0584(3) Uani d . 1 . S
  S3  .80645(6)  .05286(4)  .47236(6)  .0616(3) Uani d . 1 . S
  S4  .62659(6)  .06162(4)  .36282(5)  .0587(3) Uani d . 1 . S
  O1  .8774(2)  .03905(12)  .6573(2)  .0799(9) Uani d . 1 . O
  O2  .8571(2)  .15100(13)  .68172(14)  .0682(7) Uani d . 1 . O
  N1 1.0680(2)  .10789(13)  .5754(2)  .0521(7) Uani d . 1 . N
  N2 1.0006(2)  .07394(12)  .5915(2)  .0474(7) Uani d . 1 . N
  N3  .7404(2)  .15223(12)  .5406(2)  .0447(7) Uani d . 1 . N
  N4  .6761(2)  .13323(12)  .4746(2)  .0459(7) Uani d . 1 . N
  C1 1.3199(3)  .1992(2)  .6762(4)  .105(2) Uani d . 1 . C
  H1B 1.3082(3)  .2382(2)  .6596(4)  .126 Uiso calc R 1 . H
  C2 1.3761(4)  .1887(3)  .7465(4)  .128(2) Uani d . 1 . C
  H2A 1.4017(4)  .2205(3)  .7770(4)  .153 Uiso calc R 1 . H
  C3 1.3940(4)  .1312(3)  .7714(4)  .114(2) Uani d . 1 . C
  H3A 1.4317(4)  .1238(3)  .8186(4)  .136 Uiso calc R 1 . H
  C4 1.3565(3)  .0856(2)  .7269(3)  .0929(15) Uani d . 1 . C
  H4B 1.3689(3)  .0466(2)  .7435(3)  .111 Uiso calc R 1 . H
  C5 1.3001(3)  .0959(2)  .6574(3)  .0714(12) Uani d . 1 . C
  H5A 1.2740(3)  .0638(2)  .6277(3)  .086 Uiso calc R 1 . H
  C6 1.2813(2)  .1529(2)  .6307(3)  .0662(12) Uani d . 1 . C
  C7 1.2224(3)  .1635(2)  .5534(3)  .0757(13) Uani d . 1 . C
  H7A 1.2008(3)  .1253(2)  .5310(3)  .091 Uiso calc R 1 . H
  H7B 1.2591(3)  .1812(2)  .5269(3)  .091 Uiso calc R 1 . H
  C8 1.0467(2)  .1639(2)  .5633(2)  .0510(9) Uani d . 1 . C
  C9 1.0227(2)  .0183(2)  .6005(2)  .0514(9) Uani d . 1 . C
  H9A 1.0772(2)  .0074(2)  .5941(2)  .062 Uiso calc R 1 . H
  C10  .9705(2)  -.0288(2)  .6196(2)  .0551(10) Uani d . 1 . C
  C11  .9966(3)  -.0875(2)  .6132(2)  .0692(11) Uani d . 1 . C
  H11A 1.0448(3)  -.0948(2)  .5959(2)  .083 Uiso calc R 1 . H
  C12  .9523(4)  -.1348(2)  .6320(3)  .092(2) Uani d . 1 . C
  H12A  .9709(4)  -.1737(2)  .6281(3)  .111 Uiso calc R 1 . H
  C13  .8803(4)  -.1240(2)  .6566(3)  .103(2) Uani d . 1 . C
  H13A  .8497(4)  -.1560(2)  .6686(3)  .123 Uiso calc R 1 . H
  C14  .8528(3)  -.0665(2)  .6638(3)  .095(2) Uani d . 1 . C
  H14A  .8036(3)  -.0597(2)  .6799(3)  .114 Uiso calc R 1 . H
  C15  .8988(3)  -.0193(2)  .6468(2)  .0660(11) Uani d . 1 . C
  C16  .8400(3)  .0521(2)  .7137(3)  .0827(13) Uani d . 1 . C
  H16A  .8611(3)  .0231(2)  .7526(3)  .099 Uiso calc R 1 . H
  H16B  .7744(3)  .0501(2)  .6947(3)  .099 Uiso calc R 1 . H
  C17  .8683(3)  .1120(2)  .7421(2)  .0818(13) Uani d . 1 . C
  H17A  .8315(3)  .1256(2)  .7709(2)  .098 Uiso calc R 1 . H
  H17B  .9312(3)  .1116(2)  .7728(2)  .098 Uiso calc R 1 . H
  C18  .8294(2)  .2090(2)  .6887(2)  .0564(10) Uani d . 1 . C
  C19  .8679(3)  .2413(2)  .7517(2)  .0764(12) Uani d . 1 . C
  H19A  .9159(3)  .2257(2)  .7894(2)  .092 Uiso calc R 1 . H
  C20  .8339(3)  .2974(2)  .7577(3)  .0809(13) Uani d . 1 . C
  H20A  .8587(3)  .3193(2)  .8002(3)  .097 Uiso calc R 1 . H
  C21  .7646(3)  .3209(2)  .7020(3)  .0756(13) Uani d . 1 . C
  H21A  .7425(3)  .3587(2)  .7067(3)  .091 Uiso calc R 1 . H
  C22  .7274(3)  .2888(2)  .6391(2)  .0646(11) Uani d . 1 . C
  H22A  .6804(3)  .3053(2)  .6012(2)  .077 Uiso calc R 1 . H
  C23  .7591(2)  .2317(2)  .6312(2)  .0495(9) Uani d . 1 . C
  C24  .7126(2)  .19983(15)  .5645(2)  .0472(9) Uani d . 1 . C
  H24A  .6571(2)  .21523(15)  .5360(2)  .057 Uiso calc R 1 . H
  C25  .7031(2)  .08942(15)  .4441(2)  .0455(8) Uani d . 1 . C
  C26  .5254(2)  .1057(2)  .3529(2)  .0586(10) Uani d . 1 . C
  H26A  .5431(2)  .1472(2)  .3622(2)  .070 Uiso calc R 1 . H
  H26B  .4860(2)  .1028(2)  .3028(2)  .070 Uiso calc R 1 . H
  C27  .4724(2)  .0881(2)  .4018(2)  .0497(9) Uani d . 1 . C
  C28  .4343(3)  .0315(2)  .3974(2)  .0732(12) Uani d . 1 . C
  H28A  .4424(3)  .0039(2)  .3643(2)  .088 Uiso calc R 1 . H
  C29  .3842(3)  .0163(2)  .4422(3)  .0890(15) Uani d . 1 . C
  H29A  .3580(3)  -.0213(2)  .4386(3)  .107 Uiso calc R 1 . H
  C30  .3736(3)  .0563(3)  .4913(3)  .089(2) Uani d . 1 . C
  H30A  .3398(3)  .0460(3)  .5212(3)  .107 Uiso calc R 1 . H
  C31  .4118(3)  .1109(2)  .4970(3)  .0811(13) Uani d . 1 . C
  H31A  .4050(3)  .1377(2)  .5314(3)  .097 Uiso calc R 1 . H
  C32  .4609(2)  .1273(2)  .4524(2)  .0621(11) Uani d . 1 . C
  H32A  .4863(2)  .1652(2)  .4565(2)  .074 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
  Co1  .0441(3)  .0527(3)  .0503(3)  .0099(2)  .0179(2)  .0064(3)
  S1  .0691(7)  .0590(6)  .1019(9)  .0114(5)  .0480(6)  .0199(6)
  S2  .0438(5)  .0507(5)  .0792(8)  .0109(4)  .0179(5)  .0072(5)
  S3  .0477(5)  .0602(6)  .0794(8)  .0085(4)  .0239(5)  -.0141(6)
  S4  .0584(6)  .0726(6)  .0497(6)  -.0024(5)  .0236(5)  -.0106(5)
  O1  .102(2)  .069(2)  .097(2)  .028(2)  .072(2)  .028(2)
  O2  .080(2)  .083(2)  .041(2)  .0233(15)  .0188(14)  .0142(15)
  N1  .052(2)  .052(2)  .060(2)  .0097(14)  .029(2)  .007(2)
  N2  .048(2)  .048(2)  .047(2)  .0103(13)  .0166(14)  .0056(15)
  N3  .045(2)  .050(2)  .043(2)  .0067(13)  .0192(14)  .0017(15)
  N4  .045(2)  .052(2)  .042(2)  .0065(13)  .0158(14)  -.0005(15)
  C1  .064(3)  .071(3)  .174(6)  -.003(3)  .031(4)  -.021(4)
  C2  .078(4)  .120(5)  .175(8)  -.013(4)  .026(4)  -.070(5)
  C3  .085(4)  .147(5)  .103(5)  .017(4)  .022(3)  -.029(5)
  C4  .100(4)  .097(4)  .086(4)  .018(3)  .035(3)  .000(3)
  C5  .074(3)  .066(3)  .085(4)  .006(2)  .039(3)  -.001(3)
  C6  .048(2)  .061(3)  .103(4)  .004(2)  .043(2)  -.004(3)
  C7  .071(3)  .070(3)  .109(4)  .015(2)  .061(3)  .014(3)
  C8  .048(2)  .057(2)  .048(2)  .007(2)  .015(2)  .007(2)
  C9  .052(2)  .055(2)  .051(2)  .013(2)  .020(2)  .003(2)
  C10  .063(2)  .053(2)  .050(2)  .009(2)  .019(2)  .006(2)
  C11  .085(3)  .054(2)  .070(3)  .008(2)  .027(2)  .004(2)
  C12  .128(4)  .053(3)  .099(4)  .004(3)  .041(4)  .005(3)
  C13  .125(5)  .074(4)  .118(5)  -.017(3)  .052(4)  .020(3)
  C14  .103(4)  .081(3)  .121(5)  .005(3)  .062(3)  .030(3)
  C15  .079(3)  .061(3)  .064(3)  .007(2)  .031(2)  .017(2)
  C16  .096(3)  .095(4)  .075(3)  -.005(3)  .053(3)  .007(3)
  C17  .093(3)  .094(3)  .071(3)  .026(3)  .044(3)  .024(3)
  C18  .058(2)  .062(2)  .051(3)  -.002(2)  .020(2)  -.002(2)
  C19  .066(3)  .101(4)  .056(3)  -.012(3)  .010(2)  -.005(3)
  C20  .101(4)  .079(3)  .067(3)  -.037(3)  .032(3)  -.022(3)
  C21  .110(4)  .056(2)  .069(3)  -.013(3)  .041(3)  -.015(3)
  C22  .084(3)  .055(2)  .061(3)  -.003(2)  .031(2)  -.004(2)
  C23  .052(2)  .050(2)  .047(2)  .000(2)  .018(2)  -.002(2)
  C24  .045(2)  .053(2)  .044(2)  .010(2)  .015(2)  .008(2)
  C25  .045(2)  .047(2)  .050(2)  .000(2)  .023(2)  .001(2)
  C26  .051(2)  .079(3)  .042(2)  .006(2)  .010(2)  .004(2)
  C27  .041(2)  .067(2)  .038(2)  .005(2)  .009(2)  .011(2)
  C28  .072(3)  .075(3)  .071(3)  -.018(2)  .020(2)  -.014(2)
  C29  .072(3)  .083(3)  .115(4)  -.021(3)  .035(3)  .015(3)
  C30  .074(3)  .108(4)  .103(4)  .010(3)  .055(3)  .023(4)
  C31  .074(3)  .093(3)  .092(4)  .013(3)  .048(3)  -.007(3)
  C32  .054(2)  .064(3)  .076(3)  .008(2)  .032(2)  .007(2)
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 . 2.112(3) yes
  Co1 N2 . 2.132(3) yes
  Co1 O1 . 2.287(3) yes
  Co1 O2 . 2.320(3) yes
  Co1 S2 . 2.3380(10)
  yes
  Co1 S3 . 2.3380(10)
  yes
  S1 C8 . 1.748(4) no
  S1 C7 . 1.826(4) no
  S2 C8 . 1.724(3) yes
  S3 C25 . 1.731(3) yes
  S4 C25 . 1.756(4) no
  S4 C26 . 1.817(3) no
  O1 C15 . 1.382(4) no
  O1 C16 . 1.427(5) no
  O2 C18 . 1.391(4) no
  O2 C17 . 1.426(4) no
  N1 C8 . 1.302(4) no
  N1 N2 . 1.412(4) no
  N2 C9 . 1.292(4) no
  N3 C24 . 1.293(4) no
  N3 N4 . 1.413(4) no
  N4 C25 . 1.285(4) no
  C1 C6 . 1.370(6) no
  C1 C2 . 1.384(8) no
  C2 C3 . 1.374(8) no
  C3 C4 . 1.343(7) no
  C4 C5 . 1.372(6) no
  C5 C6 . 1.375(5) no
  C6 C7 . 1.502(6) no
  C9 C10 . 1.452(5) no
  C10 C11 . 1.394(5) no
  C10 C15 . 1.398(5) no
  C11 C12 . 1.378(6) no
  C12 C13 . 1.375(6) no
  C13 C14 . 1.381(6) no
  C14 C15 . 1.376(5) no
  C16 C17 . 1.464(6) no
  C18 C19 . 1.380(5) no
  C18 C23 . 1.384(5) no
  C19 C20 . 1.384(6) no
  C20 C21 . 1.363(6) no
  C21 C22 . 1.376(5) no
  C22 C23 . 1.398(5) no
  C23 C24 . 1.452(5) no
  C26 C27 . 1.499(5) no
  C27 C32 . 1.372(5) no
  C27 C28 . 1.391(5) no
  C28 C29 . 1.384(6) no
  C29 C30 . 1.357(6) no
  C30 C31 . 1.351(6) no
  C31 C32 . 1.377(5) no