Formation of Ruthenium(II)−Bis(phosphine) Monoxide Complexes from the Bis(phosphine) Precursors: BINAP-Monoxide (BINAPO) as a Six-Electron (P,O,η2-Naphthyl) Donor
Cyr, Paul W.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.; Organometallics 21 (2002) 4672–; doi:10.1021/om0205344

data_4077068
_publ_section_title
;
 Formation of Ruthenium(II)&#x2212;Bis(phosphine) Monoxide Complexes from
 the Bis(phosphine) Precursors:&#x00A0; BINAP-Monoxide (BINAPO) as a
 Six-Electron (P,O,\h2-Naphthyl) Donor
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4672
_journal_paper_doi               10.1021/om0205344
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C56 H42 Cl7 F6 N2 O P3 Ru'
_chemical_formula_weight         1315.11
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             2000-12-07
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
?
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2409(3)
_cell_length_b                   20.0499(5)
_cell_length_c                   20.387(1)
_cell_measurement_reflns_used    28673
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      3.24
_cell_volume                     5412.3(3)
_computing_cell_refinement       'd*TREK (MSC, 1996-1998)'
_computing_data_collection       'd*TREK (MSC, 1996-1998)'
_computing_data_reduction        'd*TREK (MSC, 1996-1998)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR97 (Altomare, et. al. 1998)
;
_diffrn_ambient_temperature      173.2
_diffrn_detector_area_resol_mean 11.76
_diffrn_measurement_device_type  'Rigaku/ADSC CCD'
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_diffrn_orient_matrix_UB_12      0.00000
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_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.05506
_diffrn_reflns_av_sigmaI/netI    0.100
_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         3.24
_diffrn_standards_decay_%        0.00
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.1107
_reflns_number_gt                9258
_reflns_number_total             11493
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            om0205344.cif
_cod_data_source_block           bj291
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        5412.2(3)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C56 H42 Cl7 F6 N2 O P3 Ru '
_cod_database_code               4077068