#------------------------------------------------------------------------------
#$Date: 2017-02-14 17:03:25 +0200 (Tue, 14 Feb 2017) $
#$Revision: 192094 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/21/4062172.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_4062172
loop_
_publ_author_name
'Choualeb, Aldjia'
'Braunstein, Pierre'
'Rosé, Jacky'
'Bouaoud, Salah-Eddine'
'Welter, Richard'
_publ_section_title
;
 Reactions of Diphosphine-Stabilized Tetracobalt Carbonyl Clusters with
 -Si(OR)₃-Functionalized Alkynes
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4405
_journal_page_last               4417
_journal_paper_doi               10.1021/om030327j
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C40 H32 Co4 O8 P2 Si'
_chemical_formula_sum            'C40 H32 Co4 O8 P2 Si'
_chemical_formula_weight         966.41
_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                79.490(5)
_cell_angle_beta                 74.334(5)
_cell_angle_gamma                68.537(5)
_cell_formula_units_Z            2
_cell_length_a                   10.807(5)
_cell_length_b                   12.078(5)
_cell_length_c                   17.196(5)
_cell_measurement_temperature    173(2)
_cell_volume                     2002.5(14)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.603
_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               4062172
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
Co2 Co 0.62831(4) 0.29741(4) 0.68035(3) 0.01799(10) Uani 1 1 d . . .
Co3 Co 0.41207(5) 0.25730(4) 0.69897(3) 0.02013(11) Uani 1 1 d . . .
Co1 Co 0.57767(4) 0.16286(4) 0.79623(3) 0.01767(11) Uani 1 1 d . . .
Co4 Co 0.34571(5) 0.29815(4) 0.84100(3) 0.02020(11) Uani 1 1 d . . .
P1 P 0.74485(9) 0.14770(7) 0.85353(5) 0.01809(17) Uani 1 1 d . . .
P2 P 0.82229(8) 0.30158(7) 0.69287(5) 0.01853(17) Uani 1 1 d . . .
Si Si 0.28418(11) 0.78013(9) 0.66145(7) 0.0304(2) Uani 1 1 d . . .
C28 C 0.8804(3) 0.1867(3) 0.7745(2) 0.0200(6) Uani 1 1 d . . .
H28A H 0.9426 0.1146 0.7500 0.024 Uiso 1 1 calc . . .
H28B H 0.9314 0.2145 0.8005 0.024 Uiso 1 1 calc . . .
C2 C 0.6961(4) 0.1329(3) 0.6843(2) 0.0233(7) Uani 1 1 d . . .
C9 C 0.5237(3) 0.3379(3) 0.7939(2) 0.0189(6) Uani 1 1 d . . .
C10 C 0.4336(3) 0.3906(3) 0.7409(2) 0.0203(6) Uani 1 1 d . . .
C16 C 0.8406(3) 0.0003(3) 0.8948(2) 0.0208(7) Uani 1 1 d . . .
C29 C 0.8228(3) 0.4418(3) 0.7167(2) 0.0202(6) Uani 1 1 d . . .
C8 C 0.3758(4) 0.1918(4) 0.9247(2) 0.0314(8) Uani 1 1 d . . .
O8 O 0.3790(3) 0.1287(3) 0.98351(18) 0.0467(8) Uani 1 1 d . . .
C11 C 0.3735(3) 0.5165(3) 0.7206(2) 0.0228(7) Uani 1 1 d . . .
O2 O 0.7684(3) 0.0493(2) 0.64998(17) 0.0356(6) Uani 1 1 d . . .
C4 C 0.3128(4) 0.3517(4) 0.6274(2) 0.0310(8) Uani 1 1 d . . .
C22 C 0.7019(3) 0.2451(3) 0.9335(2) 0.0232(7) Uani 1 1 d . . .
C35 C 0.9658(4) 0.2653(3) 0.6058(2) 0.0253(7) Uani 1 1 d . . .
C3 C 0.6369(4) 0.3539(4) 0.5785(2) 0.0290(8) Uani 1 1 d . . .
C27 C 0.7481(4) 0.3422(3) 0.9222(2) 0.0291(8) Uani 1 1 d . . .
H27 H 0.8058 0.3573 0.8737 0.035 Uiso 1 1 calc . . .
C1 C 0.5741(4) 0.0144(3) 0.8163(2) 0.0282(8) Uani 1 1 d . . .
C7 C 0.1927(4) 0.4076(3) 0.8862(2) 0.0290(8) Uani 1 1 d . . .
C30 C 0.9409(4) 0.4517(3) 0.7295(2) 0.0275(8) Uani 1 1 d . . .
H30 H 1.0201 0.3854 0.7263 0.033 Uiso 1 1 calc . . .
C12 C 0.3295(4) 0.6220(3) 0.7014(2) 0.0294(8) Uani 1 1 d . . .
O3 O 0.6416(4) 0.3935(3) 0.51277(18) 0.0521(9) Uani 1 1 d . . .
C17 C 0.8850(4) -0.0935(3) 0.8459(2) 0.0310(8) Uani 1 1 d . . .
H17 H 0.8654 -0.0792 0.7949 0.037 Uiso 1 1 calc . . .
C5 C 0.4590(4) 0.1205(4) 0.6553(2) 0.0324(8) Uani 1 1 d . . .
C34 C 0.7058(4) 0.5434(3) 0.7195(2) 0.0247(7) Uani 1 1 d . . .
H34 H 0.6277 0.5386 0.7094 0.030 Uiso 1 1 calc . . .
C21 C 0.8712(4) -0.0235(3) 0.9705(2) 0.0272(8) Uani 1 1 d . . .
H21 H 0.8436 0.0381 1.0035 0.033 Uiso 1 1 calc . . .
O1 O 0.5701(3) -0.0806(3) 0.8280(2) 0.0457(8) Uani 1 1 d . . .
C33 C 0.7055(4) 0.6505(3) 0.7370(2) 0.0283(8) Uani 1 1 d . . .
H33 H 0.6269 0.7172 0.7394 0.034 Uiso 1 1 calc . . .
C20 C 0.9432(4) -0.1393(4) 0.9975(2) 0.0334(9) Uani 1 1 d . . .
H20 H 0.9621 -0.1548 1.0488 0.040 Uiso 1 1 calc . . .
C19 C 0.9863(4) -0.2305(3) 0.9489(3) 0.0352(9) Uani 1 1 d . . .
H19 H 1.0344 -0.3077 0.9672 0.042 Uiso 1 1 calc . . .
O7 O 0.0935(3) 0.4759(3) 0.9152(2) 0.0542(9) Uani 1 1 d . . .
C24 C 0.5777(5) 0.2982(5) 1.0682(3) 0.0434(11) Uani 1 1 d . . .
H24 H 0.5214 0.2832 1.1174 0.052 Uiso 1 1 calc . . .
C36 C 1.0709(7) 0.1601(5) 0.6008(4) 0.100(3) Uani 1 1 d . . .
H36 H 1.0756 0.1027 0.6450 0.120 Uiso 1 1 calc . . .
O5 O 0.4884(4) 0.0326(3) 0.6273(2) 0.0539(9) Uani 1 1 d . . .
O4 O 0.2509(3) 0.4108(3) 0.5832(2) 0.0523(9) Uani 1 1 d . . .
C39 C 1.0665(5) 0.3263(4) 0.4700(3) 0.0441(11) Uani 1 1 d . . .
H39 H 1.0649 0.3846 0.4263 0.053 Uiso 1 1 calc . . .
C38 C 1.1695(5) 0.2185(5) 0.4647(3) 0.0524(13) Uani 1 1 d . . .
H38 H 1.2366 0.2014 0.4173 0.063 Uiso 1 1 calc . . .
C40 C 0.9653(5) 0.3492(4) 0.5394(3) 0.0407(10) Uani 1 1 d . . .
H40 H 0.8952 0.4225 0.5417 0.049 Uiso 1 1 calc . . .
C13 C 0.1247(5) 0.8202(4) 0.6247(3) 0.0504(12) Uani 1 1 d . . .
H13A H 0.0983 0.9026 0.6034 0.076 Uiso 1 1 calc . . .
H13B H 0.0533 0.8078 0.6689 0.076 Uiso 1 1 calc . . .
H13C H 0.1402 0.7709 0.5827 0.076 Uiso 1 1 calc . . .
C23 C 0.6149(4) 0.2241(4) 1.0063(2) 0.0331(9) Uani 1 1 d . . .
H23 H 0.5818 0.1611 1.0137 0.040 Uiso 1 1 calc . . .
C37 C 1.1711(7) 0.1379(5) 0.5300(4) 0.119(4) Uani 1 1 d . . .
H37 H 1.2418 0.0649 0.5275 0.143 Uiso 1 1 calc . . .
C15 C 0.4307(5) 0.7944(4) 0.5777(3) 0.0480(11) Uani 1 1 d . . .
H15A H 0.4108 0.8761 0.5549 0.072 Uiso 1 1 calc . . .
H15B H 0.4451 0.7444 0.5364 0.072 Uiso 1 1 calc . . .
H15C H 0.5113 0.7702 0.5988 0.072 Uiso 1 1 calc . . .
C26 C 0.7067(5) 0.4163(4) 0.9847(3) 0.0395(10) Uani 1 1 d . . .
H26 H 0.7357 0.4818 0.9773 0.047 Uiso 1 1 calc . . .
C32 C 0.8217(5) 0.6590(4) 0.7511(3) 0.0396(10) Uani 1 1 d . . .
H32 H 0.8208 0.7312 0.7634 0.048 Uiso 1 1 calc . . .
C25 C 0.6239(5) 0.3933(4) 1.0566(3) 0.0472(12) Uani 1 1 d . . .
H25 H 0.5986 0.4423 1.0981 0.057 Uiso 1 1 calc . . .
C18 C 0.9582(4) -0.2076(3) 0.8733(3) 0.0381(10) Uani 1 1 d . . .
H18 H 0.9886 -0.2694 0.8401 0.046 Uiso 1 1 calc . . .
C31 C 0.9407(4) 0.5589(4) 0.7470(3) 0.0348(9) Uani 1 1 d . . .
H31 H 1.0192 0.5647 0.7559 0.042 Uiso 1 1 calc . . .
C14 C 0.2617(5) 0.8719(4) 0.7435(3) 0.0469(11) Uani 1 1 d . . .
H14A H 0.2382 0.9547 0.7231 0.070 Uiso 1 1 calc . . .
H14B H 0.3452 0.8474 0.7616 0.070 Uiso 1 1 calc . . .
H14C H 0.1901 0.8609 0.7880 0.070 Uiso 1 1 calc . . .
C6 C 0.2688(4) 0.2243(3) 0.7881(2) 0.0241(7) Uani 1 1 d . . .
O6 O 0.1871(3) 0.1788(3) 0.79853(17) 0.0384(7) Uani 1 1 d . . .
H9 H 0.549(4) 0.370(4) 0.820(3) 0.033(12) Uiso 1 1 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
Co2 C3 1.751(4) . ?
Co2 C2 1.844(3) . ?
Co2 C9 2.020(3) . ?
Co2 C10 2.071(3) . ?
Co2 P2 2.1837(13) . ?
Co2 Co1 2.4065(8) . ?
Co2 Co3 2.4832(12) . ?
Co3 C5 1.785(4) . ?
Co3 C4 1.809(4) . ?
Co3 C6 1.963(4) . ?
Co3 C10 1.988(3) . ?
Co3 Co4 2.4408(10) . ?
Co3 Co1 2.5937(9) . ?
Co1 C1 1.776(4) . ?
Co1 C9 1.973(3) . ?
Co1 C2 2.015(4) . ?
Co1 P1 2.2186(12) . ?
Co1 Co4 2.4425(11) . ?
Co4 C8 1.760(4) . ?
Co4 C7 1.780(4) . ?
Co4 C6 1.888(3) . ?
Co4 C9 2.069(3) . ?
Co4 C10 2.074(3) . ?
P1 C16 1.825(3) . ?
P1 C22 1.827(4) . ?
P1 C28 1.847(3) . ?
P2 C29 1.816(3) . ?
P2 C35 1.825(4) . ?
P2 C28 1.848(3) . ?
Si C12 1.838(4) . ?
Si C14 1.861(5) . ?
Si C13 1.864(5) . ?
Si C15 1.867(5) . ?
C2 O2 1.170(4) . ?
C9 C10 1.413(5) . ?
C10 C11 1.437(5) . ?
C16 C21 1.384(5) . ?
C16 C17 1.397(5) . ?
C29 C34 1.400(5) . ?
C29 C30 1.402(5) . ?
C8 O8 1.151(4) . ?
C11 C12 1.203(5) . ?
C4 O4 1.123(5) . ?
C22 C23 1.392(5) . ?
C22 C27 1.399(5) . ?
C35 C36 1.358(6) . ?
C35 C40 1.381(5) . ?
C3 O3 1.139(4) . ?
C27 C26 1.397(5) . ?
C1 O1 1.143(4) . ?
C7 O7 1.136(5) . ?
C30 C31 1.381(5) . ?
C17 C18 1.383(5) . ?
C5 O5 1.146(5) . ?
C34 C33 1.380(5) . ?
C21 C20 1.392(5) . ?
C33 C32 1.383(6) . ?
C20 C19 1.371(6) . ?
C19 C18 1.371(6) . ?
C24 C25 1.375(7) . ?
C24 C23 1.395(6) . ?
C36 C37 1.387(7) . ?
C39 C38 1.368(7) . ?
C39 C40 1.376(6) . ?
C38 C37 1.344(7) . ?
C26 C25 1.366(7) . ?
C32 C31 1.402(6) . ?
C6 O6 1.161(4) . ?
