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_4327597
_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            'C94 H80 Cl2 F24 N8 P8 Ru2'
_chemical_formula_weight         2369.36
_chemical_name_systematic        Rac-[Ru2(dppcb)(bipy)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                76.251(3)
_cell_angle_beta                 86.730(2)
_cell_angle_gamma                77.422(2)
_cell_formula_units_Z            2
_cell_length_a                   13.0220(6)
_cell_length_b                   14.4990(6)
_cell_length_c                   27.283(1)
_cell_measurement_reflns_used    500
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.0
_cell_volume                     4883.4(4)
_computing_cell_refinement       'Denzo and Scalepack'
_computing_data_collection       'Kappa CCD'
_computing_data_reduction        'Denzo and Scalepack'
_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  'Kappa CCD'
_diffrn_measurement_method       'phi- and 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  0.021
_diffrn_reflns_av_sigmaI/netI    0.0390
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            9069
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.48
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.590
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.845
_exptl_absorpt_correction_type   Sortav
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_description       prism
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.640
_refine_diff_density_min         -0.501
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1027
_refine_ls_number_reflns         5769
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_gt           0.0586
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0688P)^2^+41.3039P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1419
_reflns_number_gt                4936
_reflns_number_total             5769
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            ic0105452B_2.cif
_cod_data_source_block           2
_cod_original_formula_sum        'C94 H80 F24 N8 Cl2 P8 Ru2'
_cod_database_code               4327597