Nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-μ-bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>'-[tris(2-chloroethyl) phosphite-3κ<i>P</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 66 (2010) m929–m930; doi:10.1107/S1600536810026267

data_2227077
_publ_section_title
;
 Nonacarbonyl-1\k^3^<i>C</i>,2\k^3^<i>C</i>,3\k^3^<i>C</i>-\m-bis(diphenylarsino)methane-1:2\k^2^<i>As</i>:<i>As</i>'-[tris(2-chloroethyl)
 phosphite-3\k<i>P</i>]-<i>triangulo</i>-triruthenium(0)
;
_journal_coeditor_code           SJ5029
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m929
_journal_page_last               m930
_journal_paper_doi               10.1107/S1600536810026267
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Ru3 (C25 H22 As2) (C6 H12 Cl3 O3 P) (C O)9]'
_chemical_formula_moiety         'C40 H34 As2 Cl3 O12 P Ru3'
_chemical_formula_sum            'C40 H34 As2 Cl3 O12 P Ru3'
_chemical_formula_weight         1297.04
_chemical_name_systematic
;
Nonacarbonyl-1\k^3^<i>C</i>,2\k^3^<i>C</i>,3\k^3^<i>C</i>-\m-
bis(diphenylarsino)methane-1:2\k^2^<i>As</i>:<i>As</i>'-[tris(2-
chloroethyl) phosphite-3\k<i>P</i>]-<i>triangulo</i>-triruthenium(0)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.9105(5)
_cell_length_b                   21.3468(7)
_cell_length_c                   28.7377(9)
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.02
_cell_measurement_theta_min      2.19
_cell_volume                     9147.0(5)
_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 SMART APEXII CCD area-detector diffractometer
;
_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  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            55092
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.04
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.683
_exptl_absorpt_correction_T_max  0.7982
_exptl_absorpt_correction_T_min  0.3653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5072
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.404
_refine_diff_density_min         -2.280
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.276
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         10492
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.276
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0802
_refine_ls_shift/su_max_lt       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^)+274.9171P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1736
_refine_ls_wR_factor_ref         0.1837
_reflns_number_gt                8686
_reflns_number_total             10492
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj5029.cif
_cod_data_source_block           I
_cod_database_code               2227077
_cod_database_fobs_code          2227077