Synthesis of Pd complexes directly linked to the light-absorbing [(bpy)3Ru]2+ unit and their photochemical reactions toward styrenes
Inagaki, Akiko; Nakagawa, Hiroki; Akita, Munetaka; Inoue, Keiichi; Sakai, Makoto; Fujii, Masaaki; Dalton Transactions  (2008) 6709–6723; doi:10.1039/b809020c

data_7004591
_publ_section_title
;
 Synthesis of Pd complexes directly linked to the light-absorbing
 [(bpy)3Ru]2+ unit and their photochemical reactions toward styrenes
;
_journal_issue                   47
_journal_name_full               'Dalton Transactions'
_journal_page_first              6709
_journal_page_last               6723
_journal_paper_doi               10.1039/b809020c
_journal_year                    2008
_chemical_formula_sum            'C53 H47 F18 N12 P3 Pd Ru'
_chemical_formula_weight         1494.41
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 114.948(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.970(9)
_cell_length_b                   21.782(7)
_cell_length_c                   18.688(3)
_cell_measurement_temperature    213(2)
_cell_volume                     12169(6)
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'imaging plate area detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode X-ray generator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1725
_diffrn_reflns_av_sigmaI/netI    0.2137
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            43273
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.725
_exptl_absorpt_correction_T_max  0.9310
_exptl_absorpt_correction_T_min  0.8118
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5968
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.773
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       0.00024(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         13470
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.940
_refine_ls_R_factor_all          0.2364
_refine_ls_R_factor_gt           0.0788
_refine_ls_shift/su_max          0.160
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0818P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1759
_refine_ls_wR_factor_ref         0.2181
_reflns_number_gt                4393
_reflns_number_total             13470
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b809020c.txt
_cod_data_source_block           string
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7004591