Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes.
Kotani, Hiroaki; Shimomura, Hinatsu; Horimoto, Momoka; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Yanagisawa, Sachiko; Kawahara-Nakagawa, Yuka; Kubo, Minoru; Kojima, Takahiko; Dalton transactions (Cambridge, England : 2003) 48 (2019) 13154–13161; doi:10.1039/c9dt02734c

data_7700579
_publ_section_title
;
 Fundamental electron-transfer and proton-coupled electron-transfer
 properties of Ru(iv)-oxo complexes.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13154
_journal_page_last               13161
_journal_paper_doi               10.1039/c9dt02734c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C25 H21 Cl2 N5 O9 Ru'
_chemical_formula_weight         707.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-07-03 deposited with the CCDC.    2019-07-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.683(9)
_cell_angle_gamma                90
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_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      56.8760
_cell_measurement_theta_min      3.3250
_cell_volume                     2706.7(4)
_computing_cell_refinement       'CrysAlisPro 1.171.40.21a (Rigaku OD, 2018)'
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_diffrn_ambient_temperature      93(2)
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_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_radiation_type           CuKa
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_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.1223
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_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
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'w=1/[?s^2^(Fo^2^)+(0.1495P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                2285
_reflns_number_total             4147
_reflns_threshold_expression     'I > 2?s(I)'
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'Adding full bibliography for 7700578--7700580.cif.'
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