Bis{[μ-bis(diphenylphosphino)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(4-methoxyphenyl)arsine-3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0)} dichloromethane solvate
bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Yeap, Chin Sing; Fun, Hoong-Kun; Acta Crystallographica Section E 66 (2010) m30–m31; doi:10.1107/S1600536809052088

data_2224772
_publ_section_title
;Bis{[\m-bis(diphenylphosphino)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(4-methoxyphenyl)arsine-3\k<i>As</i>]-<i>triangulo</i>-triruthenium(0)}
 dichloromethane solvate
;
_journal_coeditor_code           SJ2701
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m30
_journal_page_last               m31
_journal_paper_doi               10.1107/S1600536809052088
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'2[Ru3 (C21 H21 As O3) (C25 H22 P2) (C O)9], C H2 Cl2'
_chemical_formula_moiety         '2C55 H43 As O12 P2 Ru3, C H2 Cl2'
_chemical_formula_sum            'C111 H88 As2 Cl2 O24 P4 Ru6'
_chemical_formula_weight         2756.85
_chemical_name_systematic
;
Bis{[\m-bis(diphenylphosphino)methane-1:2\k^2^P:
P']nonacarbonyl-1\k^3^C,2\k^3^C,3\k^3^C-
[tris(4-methoxyphenyl)arsine-3\kAs]-triangulo-triruthenium(0)}
dichloromethane solvate
;
_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                95.5230(10)
_cell_angle_beta                 101.3150(10)
_cell_angle_gamma                103.9290(10)
_cell_formula_units_Z            1
_cell_length_a                   10.74280(10)
_cell_length_b                   12.67310(10)
_cell_length_c                   20.6529(2)
_cell_measurement_reflns_used    9697
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      35.11
_cell_measurement_theta_min      2.82
_cell_volume                     2645.47(5)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            123575
_diffrn_reflns_theta_full        35.00
_diffrn_reflns_theta_max         35.00
_diffrn_reflns_theta_min         1.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.640
_exptl_absorpt_correction_T_max  0.7969
_exptl_absorpt_correction_T_min  0.6372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2005)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1370
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.716
_refine_diff_density_min         -1.336
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         23203
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0232
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0229P)^2^+1.6547P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0526
_refine_ls_wR_factor_ref         0.0554
_reflns_number_gt                20247
_reflns_number_total             23203
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2701.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2645.47(4)
_cod_database_code               2224772
_cod_database_fobs_code          2224772