Charge injection into nanostructured TiO2 electrodes from the photogenerated reduced form of a new Ru(ii) polypyridine compound: the "anti-biomimetic" mechanism at work.
Ronconi, Federico; Santoni, Marie-Pierre; Nastasi, Francesco; Bruno, Giuseppe; Argazzi, Roberto; Berardi, Serena; Caramori, Stefano; Bignozzi, Carlo A.; Campagna, Sebastiano; Dalton transactions (Cambridge, England : 2003) 45 (2016) 14109–14123; doi:10.1039/c6dt01970f

data_7040153
_publ_section_title
;
 Charge injection into nanostructured TiO2 electrodes from the
 photogenerated reduced form of a new Ru(ii) polypyridine compound: the
 &quot;anti-biomimetic&quot; mechanism at work.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14109
_journal_page_last               14123
_journal_paper_doi               10.1039/c6dt01970f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C45 H39 F12 N8 O3 P3 Ru'
_chemical_formula_weight         1161.82
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-07-15T13:49:20-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2016-07-28 deposited with the CCDC.
2016-07-29 downloaded from the CCDC.
;
_cell_angle_alpha                77.721(7)
_cell_angle_beta                 86.792(6)
_cell_angle_gamma                79.706(6)
_cell_formula_units_Z            2
_cell_length_a                   8.8081(7)
_cell_length_b                   16.7037(18)
_cell_length_c                   17.8490(17)
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      2.42
_cell_volume                     2524.3(4)
_computing_cell_refinement       'SAINT V7.68A (Bruker AXS, 2009)'
_computing_data_collection       'Bruker Instrument Service v2010.7.0.0'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w 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  0.1715
_diffrn_reflns_Laue_measured_fraction_full 0.953
_diffrn_reflns_Laue_measured_fraction_max 0.901
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            73203
_diffrn_reflns_point_group_measured_fraction_full 0.953
_diffrn_reflns_point_group_measured_fraction_max 0.901
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.498
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    0.498
_exptl_absorpt_correction_T_max  0.7638
_exptl_absorpt_correction_T_min  0.6975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2008'
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1172
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.026
_refine_diff_density_min         -1.085
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       0.0009(8)
_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   0.986
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     653
_refine_ls_number_reflns         11539
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.2732
_refine_ls_R_factor_gt           0.0968
_refine_ls_shift/su_max          0.495
_refine_ls_shift/su_mean         0.027
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1298P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2011
_refine_ls_wR_factor_ref         0.2810
_reflns_number_gt                4249
_reflns_number_total             11539
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01970f2.cif
_cod_data_source_block           p-1
_cod_depositor_comments          'Adding full bibliography for 7040153.cif.'
_cod_database_code               7040153
_shelx_res_checksum              62189