Undecacarbonyl-1κ^3^<i>C</i>,2κ^4^<i>C</i>,3κ^4^<i>C</i>-{tris[4-(methylsulfanyl)phenyl]arsine-1κ<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 66 (2010) m1047–m1048; doi:10.1107/S1600536810029223

data_2227755
_publ_section_title
;
 Undecacarbonyl-1\k^3^<i>C</i>,2\k^4^<i>C</i>,3\k^4^<i>C</i>-{tris[4-(methylsulfanyl)phenyl]arsine-1\k<i>As</i>}-<i>triangulo</i>-triruthenium(0)
;
_journal_coeditor_code           LH5089
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1047
_journal_page_last               m1048
_journal_paper_doi               10.1107/S1600536810029223
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ru3 (C21 H21 As S3) (C O)11]'
_chemical_formula_moiety         'C32 H21 As O11 Ru3 S3'
_chemical_formula_sum            'C32 H21 As O11 Ru3 S3'
_chemical_formula_weight         1055.80
_chemical_name_systematic
;
Undecacarbonyl-1\k^3^<i>C</i>,2\k^4^<i>C</i>,3\k^4^<i>C</i>-{tris[4-
(methylsulfanyl)phenyl]arsine-1\k<i>As</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                 118.2210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3855(2)
_cell_length_b                   15.1185(2)
_cell_length_c                   19.0966(3)
_cell_measurement_reflns_used    9931
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      35.19
_cell_measurement_theta_min      2.10
_cell_volume                     3659.57(10)
_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 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            71424
_diffrn_reflns_theta_full        35.29
_diffrn_reflns_theta_max         35.29
_diffrn_reflns_theta_min         1.81
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.347
_exptl_absorpt_correction_T_max  0.7676
_exptl_absorpt_correction_T_min  0.3778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.990
_refine_diff_density_min         -0.851
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         16330
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0418P)^2^+4.1199P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0815
_refine_ls_wR_factor_ref         0.0948
_reflns_number_gt                11811
_reflns_number_total             16330
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5089.cif
_cod_data_source_block           I
_cod_original_cell_volume        3659.57(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2227755
_cod_database_fobs_code          2227755