Unexpected Photochemical Reactivity of Ruthenium(II) Polypyridine Complexes Induced by a Bis(bidentate) Phosphine
Rainer Haid; René Gutmann; Thomas Stampfl; Chistoph Langes; Georg Czermak; Holger Kopacka; Karl-Hans Ongania; Peter Brüggeller; Inorganic Chemistry 40 (2001) 7099–7104; doi:10.1021/ic010545+

data_4327598
_publ_contact_author             'Peter Br\"uggeller'
_publ_contact_author_email       Peter.Brueggeller@uibk.ac.at
_publ_contact_author_fax         '043 512 5072934'
_publ_contact_author_phone       '043 512 5075115'
_publ_section_title
;
 Unexpected Photochemical Reactivity of Ruthenium(II) Polypyridine
 Complexes Induced by a Bis(bidentate) Phosphine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7099
_journal_page_last               7104
_journal_paper_doi               10.1021/ic010545+
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C83.4 H78.8 Cl6.8 F24 N8 P8 Ru2'
_chemical_formula_weight         2340.11
_chemical_name_systematic        '[Ru2(dppcb)(bipy)2(MeCN)4](PF6)4'
_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                68.71(1)
_cell_angle_beta                 79.91(1)
_cell_angle_gamma                71.95(1)
_cell_formula_units_Z            1
_cell_length_a                   12.965(4)
_cell_length_b                   13.044(4)
_cell_length_c                   16.528(4)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.0
_cell_volume                     2470.0(12)
_computing_cell_refinement       'Software of the Siemens P4'
_computing_data_collection       'Siemens P4'
_computing_data_reduction        'Software of the Siemens P4'
_computing_molecular_graphics    'SHELXTL PLUS'
_computing_publication_material  'SHELXTL PLUS'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       omega-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  0.033
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11482
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.638
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   Psi-scans
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_description       prism
_exptl_crystal_F_000             1175
_exptl_crystal_size_max          1.15
_exptl_crystal_size_mid          0.95
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.740
_refine_diff_density_min         -0.913
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         10291
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0950P)^2^+1.8617P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1283
_reflns_number_gt                6106
_reflns_number_total             10291
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            ic0105452B_3.cif
_cod_data_source_block           3
_cod_original_formula_sum        'C83.4 H78.8 F24 N8 P8 Cl6.8 Ru2'
_cod_database_code               4327598