The reaction of [Os3(μ-H)(CO)10(μ-CO)]− with Ph2SbCl: a cluster with a six-membered Os4Sb2 ring and another with fluxional metal–metal bonds †
Leong, Weng Kee; Chen, Guizhu; Journal of the Chemical Society, Dalton Transactions  (2000) 4442–; doi:10.1039/b006669i

data_7010180
_publ_section_title
;
 The reaction of [Os3(\m-H)(CO)10(\m-CO)]&#x2212; with Ph2SbCl: a
 cluster with a six-membered Os4Sb2 ring and another with fluxional
 metal--metal bonds&#x200A;&#x2020;
;
_journal_issue                   23
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4442
_journal_paper_doi               10.1039/b006669i
_journal_year                    2000
_chemical_formula_sum            'C34.5 H21 Cl O10 Os3 P Sb'
_chemical_formula_weight         1354.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.4690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.631
_cell_length_b                   18.0529(2)
_cell_length_c                   17.18850(10)
_cell_measurement_reflns_used    5663
_cell_measurement_temperature    293(2)
_cell_volume                     3907.51(5)
_computing_cell_refinement       'SIEMENS SAINT'
_computing_data_collection       'SIEMENS SMART'
_computing_data_reduction        'SIEMENS SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.902
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25323
_diffrn_reflns_theta_full        29.35
_diffrn_reflns_theta_max         29.35
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    10.569
_exptl_absorpt_correction_T_max  0.534071
_exptl_absorpt_correction_T_min  0.308205
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2476
_exptl_crystal_size_max          0.225
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.040
_refine_diff_density_max         3.291
_refine_diff_density_min         -1.824
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         9701
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.175
_refine_ls_shift/su_mean         0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0280P)^2^+21.0682P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0983
_reflns_number_gt                6860
_reflns_number_total             9701
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b006669i.txt
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_cell_volume        3907.45(5)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C34.50 H21 Cl O10 Os3 P Sb'
_cod_database_code               7010180