[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>-[tris(biphenyl-4-yl)arsane-3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0)
bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun; Acta Crystallographica Section E 67 (2011) m216–m217; doi:10.1107/S160053681100078X

data_2229163
_publ_section_title
;
 [\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>-[tris(biphenyl-4-yl)arsane-3\k<i>As</i>]-<i>triangulo</i>-triruthenium(0)
;
_journal_coeditor_code           NG5095
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m216
_journal_page_last               m217
_journal_paper_doi               10.1107/S160053681100078X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ru3 (C36 H27 As) (C25 H22 P2) (C O)9]'
_chemical_formula_moiety         'C70 H49 As O9 P2 Ru3'
_chemical_formula_sum            'C70 H49 As O9 P2 Ru3'
_chemical_formula_weight         1474.16
_chemical_name_systematic
;
[\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>-[tris(biphenyl-4-yl)arsane-
3\k<i>As</i>]-<i>triangulo</i>-triruthenium(0)
;
_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                81.0290(10)
_cell_angle_beta                 82.7690(10)
_cell_angle_gamma                79.2650(10)
_cell_formula_units_Z            2
_cell_length_a                   10.8435(7)
_cell_length_b                   12.6134(8)
_cell_length_c                   22.4695(15)
_cell_measurement_reflns_used    9028
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      29.90
_cell_measurement_theta_min      2.77
_cell_volume                     2967.6(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 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEXII DUO 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  0.0390
_diffrn_reflns_av_sigmaI/netI    0.0371
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            50392
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.421
_exptl_absorpt_correction_T_max  0.9667
_exptl_absorpt_correction_T_min  0.5391
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.673
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     766
_refine_ls_number_reflns         13475
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0300
_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^)+(0.0394P)^2^+2.0751P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0849
_reflns_number_gt                11159
_reflns_number_total             13475
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng5095.cif
_cod_data_source_block           I
_cod_database_code               2229163
_cod_database_fobs_code          2229163