Visible-light-driven photocatalytic CO<sub>2</sub> reduction using ruthenium complexes having a CNC-type pincer ligand: comparison of substituent effect on a CNC ligand.
Arikawa, Yasuhiro; Morinaga, Momo; Kubota, Miyu; Omoto, Kenichiro; Sakuda, Eri; Umakoshi, Keisuke; Dalton transactions (Cambridge, England : 2003) 54 (2025) 10683–10690; doi:10.1039/d5dt00900f

data_7718914
_publ_section_title
;
 Visible-light-driven photocatalytic CO<sub>2</sub> reduction using
 ruthenium complexes having a CNC-type pincer ligand: comparison of
 substituent effect on a CNC ligand.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10683
_journal_page_last               10690
_journal_paper_doi               10.1039/d5dt00900f
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C17 H19 Cl N7 Ru, F6 P, C2 H3 N'
_chemical_formula_sum            'C19 H22 Cl F6 N8 P Ru'
_chemical_formula_weight         643.92
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2025-03-06 deposited with the CCDC.	2025-06-17 downloaded from the CCDC.
;
_cell_angle_alpha                93.279(4)
_cell_angle_beta                 99.582(5)
_cell_angle_gamma                103.696(6)
_cell_formula_units_Z            2
_cell_length_a                   7.397(3)
_cell_length_b                   13.009(5)
_cell_length_c                   13.994(5)
_cell_measurement_reflns_used    3952
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.10
_cell_volume                     1283.5(9)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_collection       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Rigaku Saturn724+'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10646
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         2.304
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.846
_exptl_absorpt_correction_T_max  0.975
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             644.00
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CH3CN/ether'
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.88
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     330
_refine_ls_number_reflns         5654
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0356P)^2^+0.4069P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0896
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4539
_reflns_number_total             5654
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            d5dt00900f2.cif
_cod_data_source_block           1900b
_cod_depositor_comments
'Adding full bibliography for 7718913--7718916.cif.'
_cod_database_code               7718914
_shelx_res_checksum              51468
_shelx_hkl_checksum              94077