[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>-(triphenyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0) chloroform disolvate
bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun; Acta Crystallographica Section E 68 (2012) m812–m813; doi:10.1107/S1600536812023227

data_2235049
_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>-(triphenyl
 phosphite-3\k<i>P</i>)-<i>triangulo</i>-triruthenium(0) chloroform
 disolvate
;
_journal_coeditor_code           HB6801
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m812
_journal_page_last               m813
_journal_paper_doi               10.1107/S1600536812023227
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Ru3 (C18 H15 O3 P) (C29 H30 P2) (C O)9], 2C H Cl3'
_chemical_formula_moiety         'C56 H45 O12 P3 Ru3, 2(C H Cl3)'
_chemical_formula_sum            'C58 H47 Cl6 O12 P3 Ru3'
_chemical_formula_weight         1544.78
_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>-(triphenyl
phosphite-3\k<i>P</i>)-<i>triangulo</i>-triruthenium(0) chloroform disolvate
;
_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                83.3740(10)
_cell_angle_beta                 81.3800(10)
_cell_angle_gamma                74.0990(10)
_cell_formula_units_Z            2
_cell_length_a                   12.8185(4)
_cell_length_b                   14.9912(4)
_cell_length_c                   16.6456(5)
_cell_measurement_reflns_used    9874
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      35.09
_cell_measurement_theta_min      3.16
_cell_volume                     3032.25(16)
_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 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART APEXII DUO CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0167
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            85380
_diffrn_reflns_theta_full        32.50
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         1.24
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.141
_exptl_absorpt_correction_T_max  0.7947
_exptl_absorpt_correction_T_min  0.6241
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1540
_exptl_crystal_size_max          0.456
_exptl_crystal_size_mid          0.301
_exptl_crystal_size_min          0.211
_refine_diff_density_max         0.801
_refine_diff_density_min         -2.350
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         21719
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0433P)^2^+5.4575P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0872
_refine_ls_wR_factor_ref         0.0913
_reflns_number_gt                20112
_reflns_number_total             21719
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6801.cif
_cod_data_source_block           I
_cod_original_cell_volume        3032.25(15)
_cod_database_code               2235049
_cod_database_fobs_code          2235049