Photoinduced four- and six-electron reduction of mononuclear ruthenium complexes having NAD+ analogous ligands.
Fukushima, Takashi; Wada, Tohru; Ohtsu, Hideki; Tanaka, Koji; Dalton transactions (Cambridge, England : 2003) 39 (2010) 11526–11534; doi:10.1039/c0dt00504e

data_7026546
_publ_section_title
;
 Photoinduced four- and six-electron reduction of mononuclear ruthenium
 complexes having NAD+ analogous ligands.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11526
_journal_page_last               11534
_journal_paper_doi               10.1039/c0dt00504e
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C47 H42 F12 N8 O3 P2 Ru '
_chemical_formula_sum            'C47 H42 F12 N8 O3 P2 Ru'
_chemical_formula_weight         1157.90
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.72(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   21.49(2)
_cell_length_b                   13.353(14)
_cell_length_c                   19.79(2)
_cell_measurement_reflns_used    6520
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5651(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    Ortep-3
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      173.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.071
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22078
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.418
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2344.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.49
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     326
_refine_ls_number_reflns         6292
_refine_ls_R_factor_gt           0.0847
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1500P)^2^+10.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2466
_reflns_number_gt                5134
_reflns_number_total             6292
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0dt00504e.txt
_cod_data_source_block           8
_cod_original_cell_volume        5649(10)
_cod_original_formula_sum        'C47 H42 F12 N8 O3 P2 Ru '
_cod_database_code               7026546