Oxidative quenching within photosensitizer-acceptor dyads based on bis(bidentate) phosphine-connected osmium(II) bipyridyl light absorbers and reactive metal sites
Sylvia Eller; Barbara Trettenbrein; Dennis Oberhuber; Christof Strabler; Rene Gutmann; Wytze E. van der Veer; Markus Ruetz; Holger Kopacka; Dagmar Obendorf; Peter Bruggeller; Inorganic Chemistry Communications 23 (2012) 41–45; doi:10.1016/j.inoche.2012.06.001

data_4345984
_publ_section_title
;
 Oxidative quenching within photosensitizer-acceptor dyads based on
 bis(bidentate) phosphine-connected osmium(II) bipyridyl light absorbers
 and reactive metal sites
;
_journal_name_full               'Inorganic Chemistry Communications'
_journal_page_first              41
_journal_page_last               45
_journal_paper_doi               10.1016/j.inoche.2012.06.001
_journal_volume                  23
_journal_year                    2012
_chemical_formula_moiety
'C72 H60 Cl2 N4 Os P4 Pd, 2(F6 Sb), 2(C H2 Cl2), 1.75(C Cl2)'
_chemical_formula_sum            'C75.75 H64 Cl9.5 F12 N4 Os P4 Pd Sb2'
_chemical_formula_weight         2259.12
_chemical_name_systematic        '[Os(bpy)2(dppcb)PdCl2](SbF6)2'
_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
_cell_angle_alpha                107.9141(9)
_cell_angle_beta                 97.9066(8)
_cell_angle_gamma                97.4720(9)
_cell_formula_units_Z            2
_cell_length_a                   14.2521(2)
_cell_length_b                   15.3117(2)
_cell_length_c                   20.8233(3)
_cell_measurement_reflns_used    80299
_cell_measurement_temperature    243(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      0.998
_cell_volume                     4210.51(11)
_computing_cell_refinement       'Denzo and Scalepack'
_computing_data_collection       'Kappa CCD'
_computing_data_reduction        'Denzo and Scalepack'
_computing_molecular_graphics    'SHELXTL-NT V6.1'
_computing_publication_material  'SHELXTL-NT V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      243(2)
_diffrn_measured_fraction_theta_full 1.00
_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  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0623
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            29047
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         1.47
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.797
_exptl_absorpt_correction_T_max  0.776
_exptl_absorpt_correction_T_min  0.740
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Otwinowski et al, 1997'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2200
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.500
_refine_diff_density_min         -1.730
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1001
_refine_ls_number_reflns         15815
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.1075
_refine_ls_R_factor_gt           0.0728
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+3.2316P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1709
_refine_ls_wR_factor_ref         0.2489
_reflns_number_gt                10763
_reflns_number_total             16668
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            Inor-Chem-Comm-2012-23-41-45-2.cif
_cod_data_source_block           2
_cod_original_formula_sum        'C75.75 H64 Cl9.50 F12 N4 Os P4 Pd Sb2'
_cod_database_code               4345984
_diffrn_measured_fraction        0.975