#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:31:56 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178517 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/21/4062153.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_4062153
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C25 H23 Cl2 Co N2 P'
_chemical_formula_weight         512.26
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.234(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.261(11)
_cell_length_b                   15.214(8)
_cell_length_c                   16.155(9)
_cell_measurement_temperature    293(2)
_cell_volume                     4915(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.384
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062153
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'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.178246(18) 0.49712(3) 0.19494(2) 0.04263(13) Uani 1 1 d . . .
Cl1 Cl 0.10477(4) 0.39332(5) 0.22318(4) 0.0599(2) Uani 1 1 d . . .
Cl2 Cl 0.21958(4) 0.58165(5) 0.30398(5) 0.0678(3) Uani 1 1 d . . .
N1 N 0.24458(10) 0.47007(13) 0.12019(12) 0.0370(6) Uani 1 1 d . . .
N2 N 0.12824(11) 0.55953(15) 0.09077(13) 0.0443(6) Uani 1 1 d . . .
P1 P 0.31985(4) 0.43563(5) 0.14492(4) 0.0375(2) Uani 1 1 d . . .
C1 C 0.06750(16) 0.5986(2) 0.08194(19) 0.0605(9) Uani 1 1 d . . .
C2 C 0.03380(17) 0.6210(2) 0.0040(2) 0.0753(11) Uani 1 1 d . . .
H2A H -0.0078 0.6480 -0.0010 0.090 Uiso 1 1 calc R . .
C3 C 0.06166(16) 0.6036(2) -0.06679(19) 0.0637(10) Uani 1 1 d . . .
H3A H 0.0386 0.6171 -0.1197 0.076 Uiso 1 1 calc R . .
C4 C 0.12381(15) 0.56597(19) -0.05790(16) 0.0512(8) Uani 1 1 d . . .
H4A H 0.1440 0.5549 -0.1046 0.061 Uiso 1 1 calc R . .
C5 C 0.15620(13) 0.54466(18) 0.02188(16) 0.0394(7) Uani 1 1 d . . .
C6 C 0.04014(18) 0.6159(3) 0.1623(2) 0.1009(15) Uani 1 1 d . . .
H6A H 0.0718 0.5961 0.2093 0.151 Uiso 1 1 calc R . .
H6B H -0.0012 0.5848 0.1609 0.151 Uiso 1 1 calc R . .
H6C H 0.0325 0.6778 0.1676 0.151 Uiso 1 1 calc R . .
C7 C 0.22468(12) 0.50438(19) 0.03468(15) 0.0437(7) Uani 1 1 d . . .
H7A H 0.2255 0.4569 -0.0052 0.052 Uiso 1 1 calc R . .
H7B H 0.2568 0.5483 0.0235 0.052 Uiso 1 1 calc R . .
C8 C 0.34136(12) 0.35180(18) 0.07523(16) 0.0386(7) Uani 1 1 d . . .
C9 C 0.34426(13) 0.3719(2) -0.00887(18) 0.0523(8) Uani 1 1 d . . .
H9A H 0.3394 0.4298 -0.0275 0.063 Uiso 1 1 calc R . .
C10 C 0.35426(14) 0.3058(3) -0.0639(2) 0.0630(10) Uani 1 1 d . . .
H10A H 0.3558 0.3192 -0.1197 0.076 Uiso 1 1 calc R . .
C11 C 0.36189(15) 0.2210(3) -0.0371(2) 0.0682(10) Uani 1 1 d . . .
H11A H 0.3682 0.1769 -0.0750 0.082 Uiso 1 1 calc R . .
C12 C 0.36035(16) 0.2000(2) 0.0453(2) 0.0687(10) Uani 1 1 d . . .
H12A H 0.3665 0.1421 0.0633 0.082 Uiso 1 1 calc R . .
C13 C 0.34963(13) 0.2652(2) 0.10146(19) 0.0527(8) Uani 1 1 d . . .
H13A H 0.3480 0.2508 0.1570 0.063 Uiso 1 1 calc R . .
C14 C 0.37991(14) 0.52319(17) 0.14316(16) 0.0397(7) Uani 1 1 d . . .
C15 C 0.36329(15) 0.6065(2) 0.16901(18) 0.0548(8) Uani 1 1 d . . .
H15A H 0.3226 0.6155 0.1873 0.066 Uiso 1 1 calc R . .
C16 C 0.40724(18) 0.6761(2) 0.1676(2) 0.0689(10) Uani 1 1 d . . .
H16A H 0.3960 0.7317 0.1848 0.083 Uiso 1 1 calc R . .
C17 C 0.46732(18) 0.6627(3) 0.1408(2) 0.0718(10) Uani 1 1 d . . .
H17A H 0.4966 0.7095 0.1396 0.086 Uiso 1 1 calc R . .
C18 C 0.48458(16) 0.5812(2) 0.1158(2) 0.0636(10) Uani 1 1 d . . .
H18A H 0.5256 0.5729 0.0981 0.076 Uiso 1 1 calc R . .
C19 C 0.44150(14) 0.5117(2) 0.11685(18) 0.0529(8) Uani 1 1 d . . .
H19A H 0.4536 0.4564 0.0998 0.064 Uiso 1 1 calc R . .
C20 C 0.32925(14) 0.39091(18) 0.24924(16) 0.0386(7) Uani 1 1 d . . .
C21 C 0.28134(16) 0.3350(2) 0.27114(18) 0.0567(9) Uani 1 1 d . . .
H21A H 0.2440 0.3210 0.2320 0.068 Uiso 1 1 calc R . .
C22 C 0.28865(18) 0.2997(2) 0.3513(2) 0.0734(11) Uani 1 1 d . . .
H22A H 0.2558 0.2626 0.3658 0.088 Uiso 1 1 calc R . .
C23 C 0.3433(2) 0.3187(3) 0.4086(2) 0.0826(12) Uani 1 1 d . . .
H23A H 0.3481 0.2942 0.4619 0.099 Uiso 1 1 calc R . .
C24 C 0.3913(2) 0.3743(3) 0.3878(2) 0.0942(13) Uani 1 1 d . . .
H24A H 0.4286 0.3878 0.4273 0.113 Uiso 1 1 calc R . .
C25 C 0.38461(17) 0.4104(2) 0.30797(19) 0.0702(10) Uani 1 1 d . . .
H25A H 0.4174 0.4478 0.2940 0.084 Uiso 1 1 calc R . .
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 1.989(2) . ?
Co1 N2 2.053(2) . ?
Co1 Cl2 2.2327(11) . ?
Co1 Cl1 2.2663(12) . ?
N1 C7 1.471(3) . ?
N1 P1 1.601(2) . ?
N2 C5 1.346(3) . ?
N2 C1 1.354(3) . ?
P1 C20 1.799(3) . ?
P1 C8 1.800(3) . ?
P1 C14 1.808(3) . ?
C1 C2 1.375(4) . ?
C1 C6 1.514(4) . ?
C2 C3 1.380(4) . ?
C3 C4 1.370(4) . ?
C4 C5 1.388(3) . ?
C5 C7 1.500(3) . ?
C8 C13 1.386(4) . ?
C8 C9 1.403(4) . ?
C9 C10 1.378(4) . ?
C10 C11 1.362(4) . ?
C11 C12 1.374(4) . ?
C12 C13 1.385(4) . ?
C14 C15 1.393(4) . ?
C14 C19 1.392(4) . ?
C15 C16 1.385(4) . ?
C16 C17 1.371(4) . ?
C17 C18 1.366(4) . ?
C18 C19 1.373(4) . ?
C20 C25 1.380(4) . ?
C20 C21 1.379(4) . ?
C21 C22 1.388(4) . ?
C22 C23 1.355(4) . ?
C23 C24 1.371(5) . ?
C24 C25 1.388(4) . ?
