Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.
Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter; Dalton transactions (Cambridge, England : 2003) 40 (2011) 3815–3829; doi:10.1039/c0dt00253d

data_7015064
_publ_section_title
;
 Surprising photochemical reactivity and visible light-driven energy
 transfer in heterodimetallic complexes.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3815
_journal_page_last               3829
_journal_paper_doi               10.1039/c0dt00253d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety
'C72 H60 Cl2 N4 P4 Pd Ru, C H2 Cl2, 2(F6 P), C0.30 Cl0.60, H2 O'
_chemical_formula_sum            'C73.3 H64 Cl4.6 F12 N4 O P6 Pd Ru'
_chemical_formula_weight         1801.25
_chemical_name_systematic        '[Ru(bpy)2(dppcb)PdCl2](PF6)2'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.250(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.2396(5)
_cell_length_b                   13.4989(3)
_cell_length_c                   25.5113(6)
_cell_measurement_reflns_used    329283
_cell_measurement_temperature    243(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      0.998
_cell_volume                     7656.6(3)
_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  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0796
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            28466
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         1.51
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Otwinowski et al, 1997'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3624.0
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.190
_refine_diff_density_min         -0.610
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     966
_refine_ls_number_reflns         14901
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0836P)^2^+3.5472P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1317
_refine_ls_wR_factor_ref         0.1789
_reflns_number_gt                6104
_reflns_number_total             14901
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            c0dt00253d.txt
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_original_formula_sum        'C73.30 H64 Cl4.60 F12 N4 O P6 Pd Ru'
_cod_database_code               7015064
_diffrn_measured_fraction        0.986