[μ-Bis(di-<i>o</i>-tolylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triruthenium(0)–methanol (8/1)
bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Hafiz Malik, H. A.; Yeap, Chin Sing; Fun, Hoong-Kun; Acta Crystallographica Section E 67 (2011) m197–m198; doi:10.1107/S1600536811000791

data_2229068
_publ_section_title
;
 [\m-Bis(di-<i>o</i>-tolylphosphanyl)methane-1:2\k^2^<i>P</i>:<i>P</i>']decacarbonyl-1\k^3^<i>C</i>,2\k^3^<i>C</i>,3\k^4^<i>C</i>-<i>triangulo</i>-triruthenium(0)--methanol
 (8/1)
;
_journal_coeditor_code           HB5784
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m197
_journal_page_last               m198
_journal_paper_doi               10.1107/S1600536811000791
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '8[Ru3 (C29 H30 P2) (C O)10], C H4 O'
_chemical_formula_moiety         '8(C39 H30 O10 P2 Ru3), C H4 O'
_chemical_formula_sum            'C313 H244 O81 P16 Ru24'
_chemical_formula_weight         8222.28
_chemical_name_systematic
;
[\m-Bis(di-<i>o</i>-tolylphosphanyl)methane-
1:2\k^2^<i>P</i>:<i>P</i>']decacarbonyl-
1\k^3^<i>C</i>,2\k^3^<i>C</i>,3\k^4^<i>C</i>-<i>triangulo</i>-triruthenium(0)--
methanol (8/1)
;
_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                 106.5610(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   22.7156(13)
_cell_length_b                   19.9023(11)
_cell_length_c                   18.4979(10)
_cell_measurement_reflns_used    9981
_cell_measurement_temperature    100
_cell_measurement_theta_max      31.91
_cell_measurement_theta_min      2.52
_cell_volume                     8015.9(8)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEXII DUO CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0563
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            107136
_diffrn_reflns_theta_full        32.43
_diffrn_reflns_theta_max         32.43
_diffrn_reflns_theta_min         1.87
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.251
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4066
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.135
_refine_diff_density_min         -0.724
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     990
_refine_ls_number_reflns         28473
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0264P)^2^+3.1179P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0669
_refine_ls_wR_factor_ref         0.0824
_reflns_number_gt                20091
_reflns_number_total             28473
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5784.cif
_cod_data_source_block           I
_cod_original_cell_volume        8015.8(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2229068
_cod_database_fobs_code          2229068