#------------------------------------------------------------------------------
#$Date: 2022-09-15 01:26:15 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277847 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/24/4062433.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_4062433
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C24 H23 Co N O P'
_chemical_formula_sum            'C24 H23 Co N O P'
_chemical_formula_weight         431.33
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.6070(10)
_cell_angle_beta                 82.4910(10)
_cell_angle_gamma                66.8450(10)
_cell_formula_units_Z            4
_cell_length_a                   10.0499(5)
_cell_length_b                   10.8886(6)
_cell_length_c                   20.1659(11)
_cell_measurement_temperature    100(2)
_cell_volume                     1996.39(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.435
_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_database_code               4062433
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.88111(3) 0.20600(2) 0.318013(11) 0.01424(7) Uani 1 1 d . . .
Co2 Co 0.66559(3) 0.39940(2) 0.823278(12) 0.01648(7) Uani 1 1 d . . .
P1 P 0.89381(5) 0.32590(5) 0.39206(2) 0.01332(10) Uani 1 1 d . . .
P2 P 0.59796(5) 0.24626(5) 0.88350(2) 0.01421(10) Uani 1 1 d . . .
O1 O 1.03465(14) 0.36362(13) 0.26429(6) 0.0218(3) Uani 1 1 d . . .
O2 O 0.88882(14) 0.15305(12) 0.83490(6) 0.0208(3) Uani 1 1 d . . .
N1 N 0.98134(16) 0.27817(15) 0.25581(7) 0.0177(3) Uani 1 1 d . . .
N2 N 0.84619(16) 0.27900(15) 0.81291(7) 0.0182(3) Uani 1 1 d . . .
C1 C 1.0192(2) 0.2424(2) 0.18617(9) 0.0237(4) Uani 1 1 d . . .
H1A H 0.9902 0.3247 0.1541 0.039(7) Uiso 1 1 calc R . .
H1B H 0.9682 0.1861 0.1785 0.036(6) Uiso 1 1 calc R . .
H1C H 1.1241 0.1927 0.1797 0.043(7) Uiso 1 1 calc R . .
C2 C 1.08320(18) 0.26895(18) 0.41249(8) 0.0151(4) Uani 1 1 d . . .
C3 C 1.1612(2) 0.3511(2) 0.40613(9) 0.0187(4) Uani 1 1 d . . .
H3 H 1.1146 0.4451 0.3932 0.023(5) Uiso 1 1 calc R . .
C4 C 1.3078(2) 0.2967(2) 0.41867(9) 0.0231(4) Uani 1 1 d . . .
H4 H 1.3601 0.3539 0.4149 0.019(5) Uiso 1 1 calc R . .
C5 C 1.3772(2) 0.1598(2) 0.43660(9) 0.0255(5) Uani 1 1 d . . .
H5 H 1.4773 0.1230 0.4446 0.030(6) Uiso 1 1 calc R . .
C6 C 1.3005(2) 0.0767(2) 0.44287(9) 0.0219(4) Uani 1 1 d . . .
H6 H 1.3480 -0.0175 0.4551 0.023(5) Uiso 1 1 calc R . .
C7 C 1.1540(2) 0.13083(19) 0.43134(9) 0.0190(4) Uani 1 1 d . . .
H7 H 1.1015 0.0735 0.4363 0.017(5) Uiso 1 1 calc R . .
C8 C 0.82667(18) 0.50976(17) 0.37247(8) 0.0142(3) Uani 1 1 d . . .
C9 C 0.83631(19) 0.59060(18) 0.41739(9) 0.0169(4) Uani 1 1 d . . .
H9 H 0.8821 0.5498 0.4581 0.016(5) Uiso 1 1 calc R . .
C10 C 0.77987(19) 0.72963(19) 0.40315(9) 0.0187(4) Uani 1 1 d . . .
H10 H 0.7897 0.7833 0.4335 0.015(5) Uiso 1 1 calc R . .
C11 C 0.70924(19) 0.79066(19) 0.34487(9) 0.0199(4) Uani 1 1 d . . .
H11 H 0.6699 0.8860 0.3353 0.019(5) Uiso 1 1 calc R . .
C12 C 0.6964(2) 0.71134(19) 0.30049(9) 0.0198(4) Uani 1 1 d . . .
H12 H 0.6469 0.7528 0.2608 0.031(6) Uiso 1 1 calc R . .
C13 C 0.75541(19) 0.57200(18) 0.31383(9) 0.0174(4) Uani 1 1 d . . .
H13 H 0.7472 0.5187 0.2829 0.018(5) Uiso 1 1 calc R . .
C14 C 0.79721(19) 0.31616(17) 0.47563(8) 0.0150(4) Uani 1 1 d . . .
C15 C 0.8585(2) 0.30456(19) 0.53570(9) 0.0198(4) Uani 1 1 d . . .
H15 H 0.9570 0.2945 0.5347 0.015(5) Uiso 1 1 calc R . .
C16 C 0.7767(2) 0.30759(19) 0.59713(9) 0.0232(4) Uani 1 1 d . . .
H16 H 0.8194 0.3011 0.6376 0.033(6) Uiso 1 1 calc R . .
C17 C 0.6342(2) 0.31991(19) 0.59976(10) 0.0240(4) Uani 1 1 d . . .
H17 H 0.5793 0.3202 0.6419 0.025(6) Uiso 1 1 calc R . .
C18 C 0.5715(2) 0.33189(19) 0.54023(10) 0.0241(4) Uani 1 1 d . . .
H18 H 0.4733 0.3408 0.5416 0.032(6) Uiso 1 1 calc R . .
C19 C 0.65189(19) 0.33080(18) 0.47913(9) 0.0191(4) Uani 1 1 d . . .
H19 H 0.6077 0.3402 0.4388 0.021(5) Uiso 1 1 calc R . .
C20 C 0.9202(2) 0.00150(19) 0.35096(10) 0.0225(4) Uani 1 1 d . . .
H20 H 1.0071 -0.0654 0.3737 0.033(6) Uiso 1 1 calc R . .
C21 C 0.9053(2) 0.02997(19) 0.28040(10) 0.0217(4) Uani 1 1 d . . .
H21 H 0.9796 -0.0142 0.2446 0.033(6) Uiso 1 1 calc R . .
C22 C 0.7637(2) 0.12804(19) 0.26984(9) 0.0207(4) Uani 1 1 d . . .
H22 H 0.7219 0.1657 0.2251 0.019(5) Uiso 1 1 calc R . .
C23 C 0.6917(2) 0.16172(19) 0.33275(9) 0.0205(4) Uani 1 1 d . . .
H23 H 0.5900 0.2270 0.3409 0.042(7) Uiso 1 1 calc R . .
C24 C 0.7900(2) 0.08401(19) 0.38301(9) 0.0205(4) Uani 1 1 d . . .
H24 H 0.7687 0.0857 0.4328 0.034(6) Uiso 1 1 calc R . .
C25 C 0.9691(2) 0.3106(2) 0.77653(10) 0.0245(4) Uani 1 1 d . . .
H25A H 1.0558 0.2635 0.8018 0.036(6) Uiso 1 1 calc R . .
H25B H 0.9447 0.4078 0.7721 0.021(5) Uiso 1 1 calc R . .
H25C H 0.9881 0.2812 0.7316 0.031(6) Uiso 1 1 calc R . .
C26 C 0.59990(19) 0.11253(17) 0.83801(9) 0.0165(4) Uani 1 1 d . . .
C27 C 0.5255(2) 0.02891(19) 0.86443(9) 0.0216(4) Uani 1 1 d . . .
H27 H 0.4791 0.0353 0.9086 0.011(5) Uiso 1 1 calc R . .
C28 C 0.5189(2) -0.06388(19) 0.82631(10) 0.0263(4) Uani 1 1 d . . .
H28 H 0.4679 -0.1205 0.8445 0.020(5) Uiso 1 1 calc R . .
C29 C 0.5862(2) -0.07410(19) 0.76211(10) 0.0271(5) Uani 1 1 d . . .
H29 H 0.5819 -0.1379 0.7363 0.032(6) Uiso 1 1 calc R . .
C30 C 0.6601(2) 0.0089(2) 0.73521(10) 0.0252(4) Uani 1 1 d . . .
H30 H 0.7064 0.0020 0.6910 0.022(5) Uiso 1 1 calc R . .
C31 C 0.6662(2) 0.10224(18) 0.77313(9) 0.0192(4) Uani 1 1 d . . .
H31 H 0.7161 0.1595 0.7545 0.028(6) Uiso 1 1 calc R . .
C32 C 0.4116(2) 0.29631(18) 0.92297(9) 0.0176(4) Uani 1 1 d . . .
C33 C 0.3813(2) 0.2768(2) 0.99237(10) 0.0240(4) Uani 1 1 d . . .
H33 H 0.4584 0.2428 1.0214 0.032(6) Uiso 1 1 calc R . .
C34 C 0.2392(2) 0.3064(2) 1.01964(11) 0.0329(5) Uani 1 1 d . . .
H34 H 0.2202 0.2922 1.0671 0.053(8) Uiso 1 1 calc R . .
C35 C 0.1263(2) 0.3561(2) 0.97856(13) 0.0362(5) Uani 1 1 d . . .
H35 H 0.0296 0.3750 0.9974 0.040(7) Uiso 1 1 calc R . .
C36 C 0.1538(2) 0.3786(2) 0.90966(12) 0.0325(5) Uani 1 1 d . . .
H36 H 0.0757 0.4150 0.8811 0.039(7) Uiso 1 1 calc R . .
C37 C 0.2954(2) 0.34804(19) 0.88214(10) 0.0246(4) Uani 1 1 d . . .
H37 H 0.3135 0.3627 0.8347 0.026(6) Uiso 1 1 calc R . .
C38 C 0.70475(19) 0.16962(18) 0.95679(8) 0.0166(4) Uani 1 1 d . . .
C39 C 0.7362(2) 0.2559(2) 0.99009(9) 0.0231(4) Uani 1 1 d . . .
H39 H 0.7069 0.3485 0.9729 0.049(7) Uiso 1 1 calc R . .
C40 C 0.8106(2) 0.2074(2) 1.04861(10) 0.0277(5) Uani 1 1 d . . .
H40 H 0.8300 0.2672 1.0717 0.030(6) Uiso 1 1 calc R . .
C41 C 0.8560(2) 0.0729(2) 1.07278(10) 0.0266(5) Uani 1 1 d . . .
H41 H 0.9080 0.0396 1.1122 0.035(6) Uiso 1 1 calc R . .
C42 C 0.8260(2) -0.0137(2) 1.03978(10) 0.0265(4) Uani 1 1 d . . .
H42 H 0.8570 -0.1064 1.0568 0.039(7) Uiso 1 1 calc R . .
C43 C 0.7505(2) 0.03382(19) 0.98163(9) 0.0223(4) Uani 1 1 d . . .
H43 H 0.7304 -0.0264 0.9591 0.018(5) Uiso 1 1 calc R . .
C44 C 0.5337(3) 0.5469(2) 0.75324(12) 0.0367(6) Uani 1 1 d . . .
H44 H 0.4975 0.5311 0.7128 0.048(7) Uiso 1 1 calc R . .
C45 C 0.6640(2) 0.5647(2) 0.75581(11) 0.0341(5) Uani 1 1 d . . .
H45 H 0.7371 0.5641 0.7170 0.054(8) Uiso 1 1 calc R . .
C46 C 0.6725(3) 0.5879(2) 0.82144(13) 0.0372(6) Uani 1 1 d . . .
H46 H 0.7519 0.6068 0.8373 0.076(10) Uiso 1 1 calc R . .
C47 C 0.5478(3) 0.5846(2) 0.85981(12) 0.0402(6) Uani 1 1 d . . .
H47 H 0.5227 0.5993 0.9083 0.061(8) Uiso 1 1 calc R . .
C48 C 0.4630(2) 0.5582(2) 0.81819(13) 0.0384(6) Uani 1 1 d . . .
H48 H 0.3672 0.5504 0.8322 0.084(10) 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 1.7822(16) . ?
Co1 C21 2.0901(18) . ?
Co1 C24 2.0963(19) . ?
Co1 C22 2.1006(18) . ?
Co1 C20 2.1099(19) . ?
Co1 C23 2.1148(19) . ?
Co1 P1 2.1835(5) . ?
Co2 N2 1.7820(15) . ?
Co2 C45 2.068(2) . ?
Co2 C46 2.074(2) . ?
Co2 C48 2.091(2) . ?
Co2 C47 2.095(2) . ?
Co2 C44 2.099(2) . ?
Co2 P2 2.1753(5) . ?
P1 C8 1.8354(18) . ?
P1 C2 1.8359(17) . ?
P1 C14 1.8409(18) . ?
P2 C38 1.8277(17) . ?
P2 C26 1.8360(18) . ?
P2 C32 1.8404(19) . ?
O1 N1 1.2846(19) . ?
O2 N2 1.2845(19) . ?
N1 C1 1.480(2) . ?
N2 C25 1.482(2) . ?
C2 C3 1.385(3) . ?
C2 C7 1.398(3) . ?
C3 C4 1.395(2) . ?
C4 C5 1.382(3) . ?
C5 C6 1.385(3) . ?
C6 C7 1.390(2) . ?
C8 C13 1.396(2) . ?
C8 C9 1.398(2) . ?
C9 C10 1.386(3) . ?
C10 C11 1.385(3) . ?
C11 C12 1.390(3) . ?
C12 C13 1.388(3) . ?
C14 C15 1.395(2) . ?
C14 C19 1.399(2) . ?
C15 C16 1.392(3) . ?
C16 C17 1.380(3) . ?
C17 C18 1.392(3) . ?
C18 C19 1.381(3) . ?
C20 C24 1.407(3) . ?
C20 C21 1.421(3) . ?
C21 C22 1.421(3) . ?
C22 C23 1.404(3) . ?
C23 C24 1.430(3) . ?
C26 C31 1.389(2) . ?
C26 C27 1.395(3) . ?
C27 C28 1.391(3) . ?
C28 C29 1.380(3) . ?
C29 C30 1.387(3) . ?
C30 C31 1.391(3) . ?
C32 C33 1.393(3) . ?
C32 C37 1.393(3) . ?
C33 C34 1.391(3) . ?
C34 C35 1.373(3) . ?
C35 C36 1.381(3) . ?
C36 C37 1.388(3) . ?
C38 C39 1.389(3) . ?
C38 C43 1.390(3) . ?
C39 C40 1.396(3) . ?
C40 C41 1.374(3) . ?
C41 C42 1.380(3) . ?
C42 C43 1.394(3) . ?
C44 C45 1.405(3) . ?
C44 C48 1.406(3) . ?
C45 C46 1.406(3) . ?
C46 C47 1.394(3) . ?
C47 C48 1.404(3) . ?
