Photophysical Effect of the Coordination of Water by Ruthenium(II) Bipyridyl Complexes Containing Hemilabile Phosphine-Ether Ligands
Cerrie W. Rogers; Yan Zhang; Brian O. Patrick; Wayne E. Jones; Michael O. Wolf; Inorganic Chemistry 41 (2002) 1162–1169; doi:10.1021/ic010827+

data_4327500
_publ_section_title
;
 Photophysical Effect of the Coordination of Water by Ruthenium(II)
 Bipyridyl Complexes Containing Hemilabile Phosphine-Ether Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1162
_journal_page_last               1169
_journal_paper_doi               10.1021/ic010827+
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C42 H41 Cl2 F12 N4 O2 P3 Ru'
_chemical_formula_weight         1126.69
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             19101-01-19
_audit_creation_method           'by teXsan v1.8'
_cell_angle_alpha                77.313(3)
_cell_angle_beta                 76.841(2)
_cell_angle_gamma                89.064(4)
_cell_formula_units_Z            2
_cell_length_a                   12.5278(8)
_cell_length_b                   13.554(2)
_cell_length_c                   14.1049(8)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     2273.8(4)
_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'
_diffrn_measurement_method       'area detector'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.05049
_diffrn_reflns_av_sigmaI/netI    0.090
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19508
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         3.09
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.659
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_description       block
_exptl_crystal_F_000             1136.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.08
_refine_diff_density_min         -1.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.444
_refine_ls_goodness_of_fit_ref   1.444
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     675
_refine_ls_number_reflns         8681
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0713
_refine_ls_shift/su_max          0.0527
_refine_ls_shift/su_mean         0.0042
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.1168
_reflns_number_gt                8681
_reflns_number_total             8682
_reflns_threshold_expression     I>0.00\s(I)
_cod_data_source_file            ic0108272B.cif
_cod_data_source_block           mw005/RuPOiPr
_cod_original_cell_volume        2273.8(3)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C42 H41 Cl2 F12 N4 O2 P3 Ru '
_cod_database_code               4327500