#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/02/8100269.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_8100269
loop_
_publ_author_name
'Cheng, Ya-Qian'
'Hu, Mao-Lin'
_publ_section_title
;
Crystal structure of bis(1,10-phenanthroline)diazidocobalt(II), C₂₄H₁₆CoN₁₀
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              95
_journal_page_last               96
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C24 H16 CoN10'
_chemical_formula_sum            'C24 H16 Co N10'
_chemical_formula_weight         503.40
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.252(6)
_cell_angle_beta                 82.298(6)
_cell_angle_gamma                72.481(6)
_cell_formula_units_Z            2
_cell_length_a                   8.205(3)
_cell_length_b                   11.016(4)
_cell_length_c                   12.423(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1055.9(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.583
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C24 H16 Co1 N10'
_cod_database_code               8100269
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.48328(7) 0.28827(5) 0.73495(4) 0.03496(17) Uani 1 2 i d . . .
N1 N 0.6343(5) 0.4083(3) 0.6853(3) 0.0526(10) Uani 1 2 i d . . .
N2 N 0.7838(6) 0.3745(3) 0.6599(3) 0.0586(10) Uani 1 2 i d . . .
N3 N 0.9320(7) 0.3440(5) 0.6320(5) 0.137(2) Uani 1 2 i d . . .
N4 N 0.6983(4) 0.1311(3) 0.7547(3) 0.0573(10) Uani 1 2 i d . . .
N5 N 0.7036(4) 0.0346(3) 0.8087(3) 0.0503(10) Uani 1 2 i d . . .
N6 N 0.7140(5) -0.0636(3) 0.8620(3) 0.0826(14) Uani 1 2 i d . . .
N7 N 0.4480(4) 0.3282(3) 0.8984(2) 0.0394(8) Uani 1 2 i d . . .
N8 N 0.2677(4) 0.4518(3) 0.7324(2) 0.0412(8) Uani 1 2 i d . . .
N9 N 0.4612(4) 0.2559(3) 0.5774(2) 0.0384(8) Uani 1 2 i d . . .
N10 N 0.3279(4) 0.1632(3) 0.7657(2) 0.0381(8) Uani 1 2 i d . . .
C1 C 0.5338(6) 0.2646(4) 0.9809(3) 0.0474(11) Uani 1 2 i d . . .
C2 C 0.4998(6) 0.3031(4) 1.0861(3) 0.0527(12) Uani 1 2 i d . . .
C3 C 0.3717(6) 0.4109(4) 1.1072(3) 0.0514(12) Uani 1 2 i d . . .
C4 C 0.2766(5) 0.4816(4) 1.0216(3) 0.0427(10) Uani 1 2 i d . . .
C5 C 0.3188(5) 0.4367(3) 0.9186(3) 0.0361(9) Uani 1 2 i d . . .
C6 C 0.2225(5) 0.5043(3) 0.8294(3) 0.0385(9) Uani 1 2 i d . . .
C7 C 0.0904(5) 0.6164(3) 0.8449(3) 0.0448(10) Uani 1 2 i d . . .
C8 C -0.0022(6) 0.6772(4) 0.7554(4) 0.0574(13) Uani 1 2 i d . . .
C9 C 0.0426(5) 0.6250(4) 0.6584(4) 0.0567(12) Uani 1 2 i d . . .
C10 C 0.1770(6) 0.5120(4) 0.6496(3) 0.0501(11) Uani 1 2 i d . . .
C11 C 0.1404(6) 0.5983(4) 1.0354(4) 0.0577(13) Uani 1 2 i d . . .
C12 C 0.0532(6) 0.6611(4) 0.9513(4) 0.0550(13) Uani 1 2 i d . . .
C13 C 0.5287(6) 0.3043(4) 0.4844(3) 0.0482(11) Uani 1 2 i d . . .
C14 C 0.5069(6) 0.2753(4) 0.3817(3) 0.0511(12) Uani 1 2 i d . . .
C15 C 0.4148(6) 0.1918(4) 0.3754(4) 0.0513(12) Uani 1 2 i d . . .
C16 C 0.3395(5) 0.1391(4) 0.4723(3) 0.0453(11) Uani 1 2 i d . . .
C17 C 0.3671(5) 0.1748(3) 0.5719(3) 0.0362(9) Uani 1 2 i d . . .
C18 C 0.2959(5) 0.1249(3) 0.6739(3) 0.0371(9) Uani 1 2 i d . . .
C19 C 0.1979(5) 0.0393(4) 0.6731(3) 0.0467(11) Uani 1 2 i d . . .
C20 C 0.1327(6) -0.0080(4) 0.7755(4) 0.0595(13) Uani 1 2 i d . . .
C21 C 0.1697(6) 0.0272(4) 0.8685(4) 0.0589(13) Uani 1 2 i d . . .
C22 C 0.2683(6) 0.1127(4) 0.8607(3) 0.0492(11) Uani 1 2 i d . . .
C23 C 0.2422(6) 0.0501(4) 0.4754(4) 0.0532(12) Uani 1 2 i d . . .
C24 C 0.1748(6) 0.0033(4) 0.5699(4) 0.0556(12) Uani 1 2 i d . . .
H1 H 0.622(4) 0.184(3) 0.969(2) 0.052(12) Uiso 1 2 i d . . .
H2 H 0.568(4) 0.243(3) 1.152(2) 0.051(11) Uiso 1 2 i d . . .
H3 H 0.349(4) 0.436(3) 1.181(2) 0.038(10) Uiso 1 2 i d . . .
H4 H -0.105(5) 0.760(4) 0.764(3) 0.082(14) Uiso 1 2 i d . . .
H5 H -0.004(4) 0.665(3) 0.585(2) 0.051(11) Uiso 1 2 i d . . .
H6 H 0.207(4) 0.476(3) 0.579(2) 0.052(12) Uiso 1 2 i d . . .
H7 H 0.112(5) 0.624(3) 1.114(3) 0.078(14) Uiso 1 2 i d . . .
H8 H -0.035(5) 0.738(4) 0.961(3) 0.081(15) Uiso 1 2 i d . . .
H9 H 0.598(4) 0.367(3) 0.489(2) 0.049(11) Uiso 1 2 i d . . .
H10 H 0.565(4) 0.306(3) 0.313(3) 0.058(12) Uiso 1 2 i d . . .
H11 H 0.402(6) 0.164(4) 0.304(3) 0.122(19) Uiso 1 2 i d . . .
H12 H 0.069(6) -0.065(4) 0.773(3) 0.088(17) Uiso 1 2 i d . . .
H13 H 0.129(5) -0.005(4) 0.941(3) 0.078(14) Uiso 1 2 i d . . .
H14 H 0.299(4) 0.137(3) 0.929(2) 0.040(10) Uiso 1 2 i d . . .
H15 H 0.230(5) 0.025(3) 0.402(3) 0.070(13) Uiso 1 2 i d . . .
H16 H 0.106(4) -0.065(3) 0.576(2) 0.049(11) Uiso 1 2 i d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N1 2.056(4) . ?
Co1 N9 2.077(3) . ?
Co1 N4 2.082(3) . ?
Co1 N7 2.099(3) . ?
Co1 N10 2.110(3) . ?
Co1 N8 2.111(3) . ?
N1 N2 1.182(5) . ?
N2 N3 1.176(5) . ?
N4 N5 1.171(4) . ?
N5 N6 1.175(4) . ?
N7 C1 1.319(4) . ?
N7 C5 1.364(4) . ?
N8 C10 1.333(4) . ?
N8 C6 1.366(4) . ?
N9 C13 1.329(4) . ?
N9 C17 1.358(4) . ?
N10 C22 1.332(4) . ?
N10 C18 1.352(4) . ?
C1 C2 1.395(5) . ?
C2 C3 1.358(5) . ?
C3 C4 1.407(5) . ?
C4 C5 1.397(4) . ?
C4 C11 1.440(5) . ?
C5 C6 1.437(4) . ?
C6 C7 1.392(4) . ?
C7 C8 1.408(5) . ?
C7 C12 1.435(5) . ?
C8 C9 1.363(5) . ?
C9 C10 1.399(5) . ?
C11 C12 1.338(5) . ?
C13 C14 1.402(5) . ?
C14 C15 1.370(6) . ?
C15 C16 1.413(5) . ?
C16 C17 1.412(5) . ?
C16 C23 1.433(5) . ?
C17 C18 1.434(5) . ?
C18 C19 1.413(5) . ?
C19 C20 1.407(6) . ?
C19 C24 1.445(5) . ?
C20 C21 1.366(6) . ?
C21 C22 1.401(6) . ?
C23 C24 1.335(5) . ?
