#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2007359.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2007359
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  739
_journal_page_last  741
_publ_section_title
;
Bis(dimethylglyoximato-N,N')[methyl (R)-ethanoato-C^2^]-
[tris(2-cyanoethyl)phosphine-P]cobalt(III)
;
loop_
_publ_author_name
  'Arai, Yoshifusa'
  'Hashizume, Daisuke'
  'Kogo, Hidenori'
  'Ohashi, Yuji'
  'Ohgo, Yoshiaki'
_chemical_formula_sum  'C21 H33 N7 O6 P Co'
_chemical_formula_structural  '[Co (C4 H7 N2 O2)2 (C4 H7 O2) (C9 H12 N3 P1)]'
_chemical_formula_iupac  '[Co (C4 H7 N2 O2)2 (C4 H7 O2) (C9 H12 N3 P1)]'
_chemical_formula_weight  569.44
_symmetry_cell_setting  'Monoclinic'
_symmetry_space_group_name_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
_cell_length_a  11.218(2)
_cell_length_b  7.991(2)
_cell_length_c  15.202(2)
_cell_angle_alpha  90
_cell_angle_beta  94.950(10)
_cell_angle_gamma  90
_cell_volume  1357.7(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  1.393
_diffrn_ambient_temperature  296
_refine_ls_R_factor_obs  .035
_refine_ls_wR_factor_obs  .090
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
  Co  .83159(4)  .82817(5)  .76288(3)  .032 Uani d . 1 . Co
  P  .63905(7)  .72010(10)
  .76544(5)  .032 Uani d . 1 . P
  O1  .9140(3)  .5597(4)  .8755(2)  .057 Uani d . 1 . O
  O2  .7491(3) 1.1500(4)  .8116(2)  .053 Uani d . 1 . O
  H1  .7413 1.1296  .7327  .064 Uiso d . 1 . H
  O3  .7473(3) 1.0955(4)  .6513(2)  .056 Uani d . 1 . O
  O4  .9060(3)  .5040(4)  .7134(2)  .059 Uani d . 1 . O
  H2  .9195  .5304  .7889  .071 Uiso d . 1 . H
  O5 1.1077(3)  .8248(6)  .6488(2)  .072 Uani d . 1 . O
  O6 1.1292(3)  .6980(4)  .7800(2)  .056 Uani d . 1 . O
  N1  .8774(3)  .7203(4)  .8707(2)  .040 Uani d . 1 . N
  N2  .7954(3) 1.0022(4)  .8403(2)  .040 Uani d . 1 . N
  N3  .7900(3)  .9385(4)  .6555(2)  .043 Uani d . 1 . N
  N4  .8689(3)  .6562(4)  .6850(2)  .043 Uani d . 1 . N
  N5  .5382(6)  .3044(8)  .5093(3)  .112 Uani d . 1 . N
  N6  .4975(7)  .2938(9)  .9930(5)  .125 Uani d . 1 . N
  N7  .3466(4) 1.2224(7)  .7256(4)  .094 Uani d . 1 . N
  C1  .8644(3)  .8060(7)  .9426(2)  .047 Uani d . 1 . C
  C2  .8181(3)  .9729(6)  .9243(2)  .047 Uani d . 1 . C
  C3  .8079(3)  .8575(7)  .5837(2)  .052 Uani d . 1 . C
  C4  .8526(4)  .6889(6)  .6011(3)  .052 Uani d . 1 . C
  C5  .8893(4)  .7350(9) 1.0340(3)  .075 Uani d . 1 . C
  H5A  .8205(15)  .760(4)  1.0696(8)  .090 Uiso calc R 1 . H
  H5B  .9638(19)  .787(3)  1.0631(9)  .090 Uiso calc R 1 . H
  H5C  .900(3)  .6110(11) 1.0302(3)  .090 Uiso calc R 1 . H
  C6  .7967(4) 1.0997(8)  .9944(3)  .072 Uani d . 1 . C
  H6A  .849(2)  1.074(3)  1.0493(8)  .086 Uiso calc R 1 . H
  H6B  .7109(9) 1.096(3)  1.0074(17)  .086 Uiso calc R 1 . H
  H6C  .816(3)  1.2141(9)  .9730(9)  .086 Uiso calc R 1 . H
  C7  .7822(5)  .9325(10)  .4933(3)  .082 Uani d . 1 . C
  H7A  .803(3)  .850(2)  .4476(3)  .098 Uiso calc R 1 . H
  H7B  .832(3)  1.036(3)  .4883(9)  .098 Uiso calc R 1 . H
  H7C  .6954(9)  .962(5)  .4838(11)  .098 Uiso calc R 1 . H
  C8  .8775(5)  .5648(9)  .5311(3)  .086 Uani d . 1 . C
  H8A  .934(3)  .615(2)  .4910(16)  .104 Uiso calc R 1 . H
  H8B  .8010(7)  .534(4)  .4962(18)  .104 Uiso calc R 1 . H
  H8C  .915(3)  .462(2)  .5595(3)  .104 Uiso calc R 1 . H
  C9 1.0111(4) 1.1112(6)  .7330(3)  .062 Uani d . 1 . C
  H9A  .954(2)  1.1839(10)  .7622(15)  .074 Uiso calc R 1 . H
  H9B  .990(3)  1.1108(8)  .6678(5)  .074 Uiso calc R 1 . H
  H9C 1.0941(8) 1.1557(15)  .7458(19)  .074 Uiso calc R 1 . H
  C10 1.0048(3)  .9332(5)  .7685(3)  .044 Uani d . 1 . C
  H10 1.0350(3)  .9378(5)  .8323(3)  .053 Uiso calc R 1 . H
  C11 1.0842(3)  .8172(6)  .7254(2)  .047 Uani d . 1 . C
  C12 1.1933(4)  .5655(7)  .7404(3)  .068 Uani d . 1 . C
  H12A 1.1353(5)  .492(3)  .7047(18)  .081 Uiso calc R 1 . H
  H12B 1.238(2)  .498(3)  .7878(3)  .081 Uiso calc R 1 . H
  H12C 1.251(2)  .6147(8)  .7012(17)  .081 Uiso calc R 1 . H
  C13  .5751(3)  .6051(5)  .6678(2)  .038 Uani d . 1 . C
  H13A  .4865(3)  .5977(5)  .6705(2)  .046 Uiso calc R 1 . H
  H13B  .5900(3)  .6710(5)  .6140(2)  .046 Uiso calc R 1 . H
  C14  .6243(3)  .4278(5)  .6577(2)  .040 Uani d . 1 . C
  H14A  .7137(3)  .4317(5)  .6605(2)  .048 Uiso calc R 1 . H
  H14B  .6011(3)  .3560(5)  .7073(2)  .048 Uiso calc R 1 . H
  C15  .5779(4)  .3556(6)  .5744(3)  .059 Uani d . 1 . C
  C16  .6260(3)  .5732(5)  .8573(2)  .040 Uani d . 1 . C
  H16A  .6827(3)  .4783(5)  .8508(2)  .048 Uiso calc R 1 . H
  H16B  .6518(3)  .6320(5)  .9138(2)  .048 Uiso calc R 1 . H
  C17  .5002(4)  .5007(6)  .8644(3)  .054 Uani d . 1 . C
  H17A  .4431(4)  .5939(6)  .8736(3)  .064 Uiso calc R 1 . H
  H17B  .4726(4)  .4432(6)  .8078(3)  .064 Uiso calc R 1 . H
  C18  .4991(5)  .3829(8)  .9366(3)  .073 Uani d . 1 . C
  C19  .5230(4)  .8782(6)  .7798(3)  .051 Uani d . 1 . C
  H19A  .4555(4)  .8237(6)  .8078(3)  .062 Uiso calc R 1 . H
  H19B  .5573(4)  .9663(6)  .8213(3)  .062 Uiso calc R 1 . H
  C20  .4741(5)  .9607(7)  .6960(3)  .072 Uani d . 1 . C
  H20A  .5418(5)  .9992(7)  .6623(3)  .086 Uiso calc R 1 . H
  H20B  .4259(5)  .8779(7)  .6586(3)  .086 Uiso calc R 1 . H
  C21  .3984(4) 1.1047(7)  .7145(4)  .068 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
  Co  .0375(2)  .0251(2)  .0321(2)  .0050(2)  .00065(14)  -.0014(2)
  P  .0353(4)  .0285(4)  .0303(4)  .0059(3)  -.0002(3)  -.0024(3)
  O1  .057(2)  .040(2)  .071(2)  .0122(14)  -.0113(14)  .0163(15)
  O2  .065(2)  .0307(14)  .063(2)  .0139(13)  .0069(14)  -.0049(13)
  O3  .069(2)  .038(2)  .059(2)  .0093(15)  -.0023(14)  .0153(14)
  O4  .054(2)  .036(2)  .086(2)  .0131(14)  -.0062(15)  -.020(2)
  O5  .084(2)  .079(2)  .056(2)  .000(2)  .0283(15)  .002(2)
  O6  .051(2)  .058(2)  .059(2)  .0147(15)  .0022(13)  -.003(2)
  N1  .0369(14)  .036(2)  .046(2)  .0012(13)  -.0063(12)  .0062(14)
  N2  .044(2)  .033(2)  .045(2)  .0054(14)  .0042(13)  -.0064(14)
  N3  .049(2)  .039(2)  .040(2)  .0007(15)  .0049(13)  .0045(14)
  N4  .039(2)  .034(2)  .055(2)  .0023(13)  .0041(14)  -.0139(15)
  N5  .166(5)  .086(4)  .073(3)  .027(4)  -.053(3)  -.033(3)
  N6  .129(4)  .129(6)  .125(4)  .005(4)  .053(4)  .071(5)
  N7  .070(3)  .056(3)  .152(5)  .027(2)  -.018(3)  -.022(3)
  C1  .044(2)  .063(3)  .033(2)  -.004(2)  -.0025(13)  .006(2)
  C2  .042(2)  .059(3)  .039(2)  -.005(2)  .0039(15)  -.012(2)
  C3  .055(2)  .070(3)  .032(2)  -.008(2)  .0084(14)  -.002(2)
  C4  .047(2)  .061(3)  .049(2)  -.004(2)  .011(2)  -.022(2)
  C5  .074(3)  .104(5)  .043(2)  -.002(3)  -.011(2)  .019(3)
  C6  .065(3)  .088(4)  .063(3)  -.002(3)  .008(2)  -.039(3)
  C7  .094(4)  .116(5)  .035(2)  -.026(4)  .005(2)  .012(3)
  C8  .087(4)  .107(5)  .068(3)  -.006(4)  .021(3)  -.044(4)
  C9  .058(2)  .043(2)  .085(3)  -.010(2)  .009(2)  .009(2)
  C10  .038(2)  .041(2)  .053(2)  -.003(2)  .0039(15)  -.003(2)
  C11  .043(2)  .045(2)  .053(2)  -.005(2)  .0066(14)  -.002(2)
  C12  .054(3)  .069(3)  .080(3)  .020(2)  .005(2)  -.013(3)
  C13  .042(2)  .034(2)  .037(2)  .004(2)  -.0065(13)  -.0049(14)
  C14  .048(2)  .032(2)  .038(2)  .004(2)  -.0033(14)  -.0055(15)
  C15  .077(3)  .043(3)  .052(2)  .006(2)  -.013(2)  -.016(2)
  C16  .044(2)  .046(2)  .032(2)  -.001(2)  .0061(13)  .002(2)
  C17  .056(2)  .056(3)  .051(2)  -.009(2)  .013(2)  .002(2)
  C18  .066(3)  .085(4)  .073(3)  -.006(3)  .029(2)  .020(3)
  C19  .051(2)  .048(2)  .053(2)  .018(2)  -.001(2)  -.009(2)
  C20  .086(3)  .054(3)  .072(3)  .028(3)  -.004(3)  .000(2)
  C21  .057(3)  .051(3)  .091(4)  .019(2)  -.017(2)  -.005(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
  Co N3 . 1.878(3) yes
  Co N1 . 1.884(3) yes
  Co N4 . 1.884(3) yes
  Co N2 . 1.888(3) yes
  Co C10 . 2.112(4) yes
  Co P . 2.3300(10)
  yes
  P C13 . 1.838(3) ?
  P C16 . 1.839(4) ?
  P C19 . 1.841(4) ?
  O1 N1 . 1.348(5) ?
  O2 N2 . 1.348(4) ?
  O3 N3 . 1.342(5) ?
  O4 N4 . 1.345(5) ?
  O5 C11 . 1.217(4) yes
  O6 C11 . 1.334(5) yes
  O6 C12 . 1.441(6) yes
  N1 C1 . 1.310(5) ?
  N2 C2 . 1.302(5) ?
  N3 C3 . 1.300(5) ?
  N4 C4 . 1.300(5) ?
  N5 C15 . 1.125(6) ?
  N6 C18 . 1.117(8) ?
  N7 C21 . 1.126(7) ?
  C1 C2 . 1.450(7) ?
  C1 C5 . 1.505(5) ?
  C2 C6 . 1.504(6) ?
  C3 C4 . 1.454(7) ?
  C3 C7 . 1.505(6) ?
  C4 C8 . 1.498(6) ?
  C9 C10 . 1.525(6) yes
  C10 C11 . 1.478(6) yes
  C13 C14 . 1.534(5) ?
  C14 C15 . 1.447(5) ?
  C16 C17 . 1.538(5) ?
  C17 C18 . 1.447(7) ?
  C19 C20 . 1.495(6) ?
  C20 C21 . 1.471(7) ?