Bis{[μ-bis(diphenylphosphanyl)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>-[(4-methylsulfanylphenyl)diphenylphosphane-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)} dichloromethane monosolvate
bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Hafiz Malik, H. A.; Yeap, Chin Sing; Fun, Hoong-Kun; Acta Crystallographica Section E 67 (2011) m218–m219; doi:10.1107/S1600536811000778

data_2229233
_publ_section_title
;
 Bis{[\m-bis(diphenylphosphanyl)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>-[(4-methylsulfanylphenyl)diphenylphosphane-3\k<i>P</i>]-<i>triangulo</i>-triruthenium(0)}
 dichloromethane monosolvate
;
_journal_coeditor_code           SJ5089
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m218
_journal_page_last               m219
_journal_paper_doi               10.1107/S1600536811000778
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'2[Ru3 (C25 H22 P2) (C19 H17 P S) (C O)9], C H2 Cl2'
_chemical_formula_moiety         '2(C53 H39 O9 P3 Ru3 S), C H2 Cl2'
_chemical_formula_sum            'C107 H80 Cl2 O18 P6 Ru6 S2'
_chemical_formula_weight         2580.97
_chemical_name_systematic
;Bis{[\m-bis(diphenylphosphanyl)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>-[(4-
methylsulfanylphenyl)diphenylphosphane-3\k<i>P</i>]-<i>triangulo</i>-
triruthenium(0)} dichloromethane monosolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.2600(10)
_cell_angle_beta                 104.1800(10)
_cell_angle_gamma                102.9000(10)
_cell_formula_units_Z            1
_cell_length_a                   10.71250(10)
_cell_length_b                   12.46390(10)
_cell_length_c                   20.0660(2)
_cell_measurement_reflns_used    9836
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      38.13
_cell_measurement_theta_min      2.29
_cell_volume                     2493.72(4)
_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 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
;
Bruker SMART APEXII CCD area-detector
;
_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  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            87820
_diffrn_reflns_theta_full        35.00
_diffrn_reflns_theta_max         35.00
_diffrn_reflns_theta_min         1.70
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.146
_exptl_absorpt_correction_T_max  0.8823
_exptl_absorpt_correction_T_min  0.7841
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1286
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.738
_refine_diff_density_min         -1.714
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         21813
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0330P)^2^+3.2031P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0851
_reflns_number_gt                17718
_reflns_number_total             21813
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj5089.cif
_cod_data_source_block           I
_cod_database_code               2229233
_cod_database_fobs_code          2229233