Reaction of [RuCl2(DMSO)4] with aromatic phosphines bearing ortho-methoxy groups †
Yamamoto, Yasuhiro; Sugawara, Ken-ichiro; Aiko, Tsuyoshi; Ma, Jian-Fang; Journal of the Chemical Society, Dalton Transactions  (1999) 4003–; doi:10.1039/a906435d

data_7702418
_publ_contact_author
;
    ENTER NAME
 ENTER ADDRESS
;
_publ_section_title
;
 Reaction of [RuCl2(DMSO)4] with aromatic phosphines bearing ortho-methoxy
 groups&#x200A;&#x2020;
;
_journal_issue                   22
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4003
_journal_paper_doi               10.1039/a906435d
_journal_year                    1999
_chemical_compound_source        compound6
_chemical_formula_sum            'C42 H40 Cl4 O5 P2 Ru'
_chemical_formula_weight         929.60
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Wed Mar 10 10:27:20 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                101.25(5)
_cell_angle_beta                 114.69(5)
_cell_angle_gamma                68.35(5)
_cell_formula_units_Z            2
_cell_length_a                   13.70(1)
_cell_length_b                   14.555(9)
_cell_length_c                   12.346(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    299.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     2077(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      299.2
_diffrn_measurement_device       'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.05739
_diffrn_orient_matrix_UB_12      0.01161
_diffrn_orient_matrix_UB_13      -0.02106
_diffrn_orient_matrix_UB_21      0.02627
_diffrn_orient_matrix_UB_22      0.03554
_diffrn_orient_matrix_UB_23      0.07925
_diffrn_orient_matrix_UB_31      0.05677
_diffrn_orient_matrix_UB_32      -0.06387
_diffrn_orient_matrix_UB_33      0.03525
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  1.60
_diffrn_reflns_av_sigmaI/netI    0.041
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7623
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        1.31
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.755
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.595
_exptl_absorpt_correction_type   '\y scans(North,Phillips & Mathews,1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             948.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.98
_refine_diff_density_min         -2.48
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.911
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     487
_refine_ls_number_reflns         5251
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0725
_refine_ls_shift/esd_max         0.0330
_refine_ls_shift/esd_mean        0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00181|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0984
_reflns_number_observed          5251
_reflns_number_total             7307
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            906435d.txt
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

data item '_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00181|Fo|^2^]' was changed to 'calc'. A new data item
'_refine_ls_weighting_details' was created with the value set to 'w =
1/[\s^2^(Fo) + 0.00181|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        2075(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C42 H40 Cl4 O5 P2 Ru '
_cod_database_code               7702418