[μ-Bis(di-<i>o</i>-tolylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[diphenyl(phenylsulfanylmethyl)phosphane-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0) dichloromethane 0.25-solvate
bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Hafiz Malik, H. A.; Yeap, Chin Sing; Fun, Hoong-Kun; Acta Crystallographica Section E 67 (2011) m195–m196; doi:10.1107/S160053681100081X

data_2229069
_publ_section_title
;
 [\m-Bis(di-<i>o</i>-tolylphosphanyl)methane-1:2\k^2^<i>P</i>:<i>P</i>']nonacarbonyl-1\k^3^<i>C</i>,2\k^3^<i>C</i>,3\k^3^<i>C</i>-[diphenyl(phenylsulfanylmethyl)phosphane-3\k<i>P</i>]-<i>triangulo</i>-triruthenium(0)
 dichloromethane 0.25-solvate
;
_journal_coeditor_code           HB5785
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m195
_journal_page_last               m196
_journal_paper_doi               10.1107/S160053681100081X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Ru3 (C29 H30 P2) (C19 H17 P S) (C O)9], 0.25C H2 Cl2'
_chemical_formula_moiety         'C57 H47 O9 P3 Ru3 S, 0.25(C H2 Cl2)'
_chemical_formula_sum            'C57.25 H47.5 Cl0.5 O9 P3 Ru3 S'
_chemical_formula_weight         1325.36
_chemical_name_systematic
;
[\m-Bis(di-<i>o</i>-tolylphosphanyl)methane-
1:2\k^2^<i>P</i>:<i>P</i>']nonacarbonyl-
1\k^3^<i>C</i>,2\k^3^<i>C</i>,3\k^3^<i>C</i>-
[diphenyl(phenylsulfanylmethyl)phosphane-3\k<i>P</i>]-<i>triangulo</i>-
triruthenium(0) dichloromethane 0.25-solvate
;
_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                 106.069(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.022(2)
_cell_length_b                   28.576(6)
_cell_length_c                   18.454(4)
_cell_measurement_reflns_used    5023
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.85
_cell_measurement_theta_min      2.41
_cell_volume                     5585(2)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0659
_diffrn_reflns_av_sigmaI/netI    0.0718
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            39779
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.39
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.003
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2658
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.545
_refine_diff_density_min         -0.655
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     699
_refine_ls_number_reflns         12798
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0285P)^2^+2.1069P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0921
_reflns_number_gt                8500
_reflns_number_total             12798
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5785.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C57.25 H47.50 Cl0.50 O9 P3 Ru3 S'
_cod_database_code               2229069
_cod_database_fobs_code          2229069