New Series of Dinuclear Ruthenium(II) Complexes Synthesized Using Photoisomerization for Efficient Water Oxidation Catalysis.
Hirahara, Masanari; Nagai, Sho; Takahashi, Kosuke; Saito, Kenji; Yui, Tatsuto; Yagi, Masayuki; Inorganic chemistry 54 (2015) 7627–7635; doi:10.1021/acs.inorgchem.5b01264

data_4344001
_publ_section_title
;
 New Series of Dinuclear Ruthenium(II) Complexes Synthesized Using
 Photoisomerization for Efficient Water Oxidation Catalysis.
;
_journal_issue                   15
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7627
_journal_page_last               7635
_journal_paper_doi               10.1021/acs.inorgchem.5b01264
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C42 H32 Cl2 N8 O2 Ru'
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         27.471
_diffrn_reflns_theta_min         1.702
_exptl_absorpt_coefficient_mu    0.573
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_exptl_absorpt_correction_T_min  0.772
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.636
_refine_diff_density_min         -1.083
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9079
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1400P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1641
_refine_ls_wR_factor_ref         0.1770
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7982
_reflns_number_total             9079
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b01264_si_002.cif
_cod_data_source_block           rucl
_cod_depositor_comments
'Adding full bibliography for 4343999--4344001.cif.'
_cod_original_cell_volume        1996.9(14)
_cod_database_code               4344001
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              28483
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