Visible-Light-Induced Photooxidation of Ruthenium(II) Complex with 2,2'-Biimidazole-like Ligand by Singlet Oxygen
Zheng-Zheng Li; Yan-Li Niu; Hai-Yun Zhou; Hsiu-Yi Chao; Bao-Hui Ye; Inorganic Chemistry 52 (2013) 10087–10095; doi:10.1021/ic4014043

data_4335891
_publ_section_title
;
 Visible-Light-Induced Photooxidation of Ruthenium(II) Complex with
 2,2'-Biimidazole-like Ligand by Singlet Oxygen
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10087
_journal_page_last               10095
_journal_paper_doi               10.1021/ic4014043
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C30 H32 Cl2 N8 O11 Ru'
_chemical_formula_weight         852.61
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 94.393(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.483(4)
_cell_length_b                   19.513(10)
_cell_length_c                   21.032(10)
_cell_measurement_reflns_used    5885
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.94
_cell_volume                     3471(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_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  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0537
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14007
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.94
_diffrn_standards_decay_%        negligible
_exptl_absorpt_coefficient_mu    0.677
_exptl_absorpt_correction_T_max  0.8653
_exptl_absorpt_correction_T_min  0.7829
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_description       block
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.640
_refine_diff_density_min         -1.223
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         5885
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1164
_refine_ls_R_factor_gt           0.0903
_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^)+(0.2356P)^2^+1.9696P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2658
_refine_ls_wR_factor_ref         0.3099
_reflns_number_gt                4161
_reflns_number_total             5885
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4014043_si_001.cif
_cod_data_source_block           2
_cod_database_code               4335891