Ruthenium(II) complexes with phosphonate-substituted phenanthroline ligands: synthesis, characterization and use in organic photocatalysis.
Morozkov, Gleb V.; Abel, Anton S.; Filatov, Mikhail A.; Nefedov, Sergei E.; Roznyatovsky, Vitaly A.; Cheprakov, Andrey V.; Mitrofanov, Alexander Yu; Ziankou, Ilia S.; Averin, Alexei D.; Beletskaya, Irina P.; Michalak, Julien; Bucher, Christophe; Bonneviot, Laurent; Bessmertnykh-Lemeune, Alla; Dalton transactions (Cambridge, England : 2003) 51 (2022) 13612–13630; doi:10.1039/d2dt01364a

data_7711310
_publ_section_title
;
 Ruthenium(II) complexes with phosphonate-substituted phenanthroline
 ligands: synthesis, characterization and use in organic photocatalysis.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13612
_journal_page_last               13630
_journal_paper_doi               10.1039/d2dt01364a
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C40 H43 P2 N6 O6.50 Ru, (P F6)2'
_chemical_formula_sum            'C40 H43 F12 N6 O6.5 P4 Ru'
_chemical_formula_weight         1164.75
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-03-17 deposited with the CCDC.	2022-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                84.7580(10)
_cell_angle_beta                 74.7870(10)
_cell_angle_gamma                84.2620(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7648(4)
_cell_length_b                   12.1887(4)
_cell_length_c                   17.1364(6)
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.36
_cell_volume                     2353.89(14)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_unetI/netI     0.0418
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24933
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         2.019
_exptl_absorpt_coefficient_mu    0.570
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_description       prizm
_exptl_crystal_F_000             1178
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.503
_refine_diff_density_min         -1.481
_refine_diff_density_rms         0.134
_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     681
_refine_ls_number_reflns         11282
_refine_ls_number_restraints     202
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0795
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0568P)^2^+20.5246P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1930
_refine_ls_wR_factor_ref         0.1975
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10023
_reflns_number_total             11282
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt01364a2.cif
_cod_data_source_block           rr
_cod_original_formula_sum        'C40 H43 F12 N6 O6.50 P4 Ru'
_cod_database_code               7711310
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.885
_shelx_estimated_absorpt_t_max   0.904
_shelx_res_checksum              70866