data_2011499
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  1326
_journal_page_last  1329
_publ_section_title
;
Triazidocobalt(III) complexes with tridentate amine ligand
;
loop_
_publ_author_name
  'Chun, Hyungphil'
  'Bernal, Ivan'
_chemical_formula_moiety  'C6 H17 Co N12'
_chemical_formula_sum  'C6 H17 Co N12'
_chemical_formula_iupac  '[Co(C6 H17 N3 )(N3 )3 ]'
_chemical_formula_weight  316.25
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  9.8040(12)
_cell_length_b  9.286(2)
_cell_length_c  14.209(2)
_cell_angle_alpha  90.00
_cell_angle_beta  94.267(14)
_cell_angle_gamma  90.00
_cell_volume  1290.1(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.628
_diffrn_ambient_temperature  293
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  .64854(3)  .19033(3)  .90649(2)  .02257(9) Uani d . 1 . Co
  N1  .6185(2)  -.0139(2)  .87042(14)  .0294(4) Uani d . 1 . N
  H1N  .572(2)  -.038(3)  .9124(16)  .033(7) Uiso d . 1 . H
  H2N  .564(3)  -.019(3)  .8199(19)  .053(8) Uiso d . 1 . H
  N2  .8349(2)  .2054(2)  .85703(12)  .0296(4) Uani d . 1 . N
  H3N  .811(2)  .224(2)  .7985(17)  .033(6) Uiso d . 1 . H
  N3  .6433(2)  .3906(2)  .95173(14)  .0314(4) Uani d . 1 . N
  H4N  .587(3)  .428(3)  .9133(18)  .040(7) Uiso d . 1 . H
  H5N  .603(2)  .383(2) 1.0023(17)  .028(6) Uiso d . 1 . H
  N4  .5737(2)  .2661(2)  .78332(11)  .0299(4) Uani d . 1 . N
  N5  .4639(2)  .1808(2)  .95258(13)  .0355(4) Uani d . 1 . N
  N6  .7240(2)  .1169(2) 1.02741(13)  .0424(5) Uani d . 1 . N
  N7  .5558(2)  .1866(2)  .71736(11)  .0286(4) Uani d . 1 . N
  N8  .5375(2)  .1133(2)  .65197(14)  .0481(5) Uani d . 1 . N
  N9  .3671(2)  .1827(2)  .89611(14)  .0422(5) Uani d . 1 . N
  N10  .2706(2)  .1827(3)  .8456(2)  .0866(10) Uani d . 1 . N
  N11  .7901(2)  .1813(2) 1.08625(12)  .0314(4) Uani d . 1 . N
  N12  .8560(2)  .2381(3) 1.14651(13)  .0504(6) Uani d . 1 . N
  C1  .7341(3)  -.1141(3)  .8650(2)  .0402(6) Uani d . 1 . C
  H1C  .698(3)  -.201(3)  .8419(18)  .049(7) Uiso d . 1 . H
  H2C  .774(2)  -.124(3)  .9300(18)  .043(7) Uiso d . 1 . H
  C2  .8431(3)  -.0524(3)  .8073(2)  .0432(6) Uani d . 1 . C
  H3C  .807(3)  -.022(3)  .7460(18)  .043(7) Uiso d . 1 . H
  H4C  .905(3)  -.128(3)  .7946(19)  .062(8) Uiso d . 1 . H
  C3  .9177(2)  .0714(3)  .8548(2)  .0435(6) Uani d . 1 . C
  H5C 1.002(3)  .092(3)  .8274(17)  .047(7) Uiso d . 1 . H
  H6C  .946(2)  .048(3)  .9159(18)  .046(7) Uiso d . 1 . H
  C4  .9253(2)  .3245(3)  .8945(2)  .0422(6) Uani d . 1 . C
  H7C 1.003(3)  .321(3)  .8579(18)  .047(7) Uiso d . 1 . H
  H8C  .954(3)  .297(3)  .9576(18)  .046(7) Uiso d . 1 . H
  C5  .8581(3)  .4699(3)  .8899(2)  .0483(7) Uani d . 1 . C
  H9C  .925(3)  .541(3)  .8974(18)  .052(7) Uiso d . 1 . H
  H10C  .809(3)  .482(3)  .8319(19)  .048(7) Uiso d . 1 . H
  C6  .7608(3)  .4896(3)  .9660(2)  .0423(6) Uani d . 1 . C
  H11C  .807(2)  .467(3) 1.0262(17)  .046(7) Uiso d . 1 . H
  H12C  .723(2)  .584(3)  .9692(16)  .044(7) Uiso d . 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
  Co  .02707(14)  .02442(14)  .01605(13)  -.00219(13)  .00052(9)  .00144(12)
  N1  .0342(11)  .0297(10)  .0243(9)  -.0019(8)  .0018(8)  -.0006(8)
  N2  .0279(9)  .0368(10)  .0238(9)  -.0026(8)  -.0005(7)  .0033(8)
  N3  .0447(11)  .0282(10)  .0210(9)  .0010(9)  .0013(9)  .0021(8)
  N4  .0356(10)  .0337(10)  .0199(8)  .0028(8)  -.0019(7)  .0005(8)
  N5  .0337(10)  .0429(11)  .0312(9)  -.0028(9)  .0109(8)  -.0015(9)
  N6  .0643(14)  .0354(11)  .0255(9)  -.0081(10)  -.0101(9)  .0058(9)
  N7  .0285(9)  .0349(9)  .0219(8)  -.0042(8)  -.0007(7)  .0076(9)
  N8  .0724(15)  .0455(12)  .0253(10)  -.0143(11)  -.0028(9)  -.0042(10)
  N9  .0338(11)  .0466(12)  .0478(12)  .0004(10)  .0128(9)  .0178(10)
  N10  .0350(13)  .138(3)  .085(2)  -.006(2)  -.0066(12)  .055(2)
  N11  .0325(9)  .0391(10)  .0226(8)  .0100(9)  .0021(7)  .0050(9)
  N12  .0491(13)  .0683(15)  .0316(11)  .0012(11)  -.0114(9)  -.0090(10)
  C1  .050(2)  .0286(13)  .0413(14)  .0038(11)  .0019(11)  -.0007(11)
  C2  .0435(14)  .0440(14)  .0428(14)  .0120(12)  .0086(11)  -.0066(12)
  C3  .0302(13)  .052(2)  .0480(15)  .0071(12)  .0030(11)  .0036(13)
  C4  .0332(12)  .054(2)  .0392(13)  -.0175(12)  .0010(10)  .0010(12)
  C5  .057(2)  .0398(15)  .047(2)  -.0232(13)  -.0003(13)  .0062(12)
  C6  .057(2)  .0289(13)  .0400(14)  -.0077(11)  -.0054(12)  -.0032(11)
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 N6 . 1.943(2) yes
  Co N3 . 1.970(2) yes
  Co N5 . 1.973(2) yes
  Co N4 . 1.976(2) yes
  Co N1 . 1.981(2) yes
  Co N2 . 2.010(2) yes
  N1 C1 . 1.473(3) no
  N1 H1N .  .81(2) no
  N1 H2N .  .86(3) no
  N2 C3 . 1.487(3) no
  N2 C4 . 1.491(3) no
  N2 H3N .  .86(2) no
  N3 C6 . 1.476(3) no
  N3 H4N .  .82(3) no
  N3 H5N .  .85(2) no
  N4 N7 . 1.196(2) yes
  N5 N9 . 1.196(3) yes
  N6 N11 . 1.182(2) yes
  N7 N8 . 1.155(2) yes
  N9 N10 . 1.145(3) yes
  N11 N12 . 1.160(3) yes
  C1 C2 . 1.508(3) no
  C1 H1C .  .93(3) no
  C1 H2C .  .98(2) no
  C2 C3 . 1.497(4) no
  C2 H3C .  .96(2) no
  C2 H4C .  .95(3) no
  C3 H5C .  .96(3) no
  C3 H6C .  .92(3) no
  C4 C5 . 1.501(4) no
  C4 H7C .  .96(3) no
  C4 H8C .  .95(3) no
  C5 C6 . 1.505(4) no
  C5 H9C .  .93(3) no
  C5 H10C .  .93(3) no
  C6 H11C .  .96(2) no
  C6 H12C .  .95(2) no