[μ-1,6-Bis(diphenyphosphanyl)hexane-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)
bin Shawkataly, Omar; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun; Acta Crystallographica Section E 68 (2012) m629–m630; doi:10.1107/S1600536812014614

data_2234803
_publ_section_title
;
 [\m-1,6-Bis(diphenyphosphanyl)hexane-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)
;
_journal_coeditor_code           SJ5228
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m629
_journal_page_last               m630
_journal_paper_doi               10.1107/S1600536812014614
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ru3 (C30 H32 P2) (C O)10]'
_chemical_formula_moiety         'C40 H32 O10 P2 Ru3'
_chemical_formula_sum            'C40 H32 O10 P2 Ru3'
_chemical_formula_weight         1037.81
_chemical_name_systematic
;
[\m-1,6-Bis(diphenyphosphanyl)hexane-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)
;
_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                 122.295(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4836(6)
_cell_length_b                   21.2700(10)
_cell_length_c                   16.1025(6)
_cell_measurement_reflns_used    9965
_cell_measurement_temperature    100
_cell_measurement_theta_max      32.58
_cell_measurement_theta_min      3.14
_cell_volume                     3903.7(3)
_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 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type
;
Bruker APEXII DUO CCD area-detector
;
_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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0206
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            53262
_diffrn_reflns_theta_full        32.66
_diffrn_reflns_theta_max         32.66
_diffrn_reflns_theta_min         1.87
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.285
_exptl_absorpt_correction_T_max  0.8694
_exptl_absorpt_correction_T_min  0.5618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.507
_exptl_crystal_size_mid          0.263
_exptl_crystal_size_min          0.112
_refine_diff_density_max         0.535
_refine_diff_density_min         -0.577
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         14125
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0188
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0182P)^2^+1.6109P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0438
_refine_ls_wR_factor_ref         0.0458
_reflns_number_gt                12773
_reflns_number_total             14125
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj5228.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2234803
_cod_database_fobs_code          2234803