Modification of charge transfer in a two-dimensional donor/acceptor framework by the insertion of another donor-type molecule into electronegative interlayer pockets.
Nishio, Masaki; Motokawa, Natsuko; Takemura, Miho; Miyasaka, Hitoshi; Dalton transactions (Cambridge, England : 2003) 42 (2013) 15898–15901; doi:10.1039/c3dt51271a

data_7023393
_publ_section_title
;
 Modification of charge transfer in a two-dimensional donor/acceptor
 framework by the insertion of another donor-type molecule into
 electronegative interlayer pockets.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15898
_journal_page_last               15901
_journal_paper_doi               10.1039/c3dt51271a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C65 H26 Cl10 F28 N4 O16 Ru4'
_chemical_formula_sum            'C65 H26 Cl10 F28 N4 O16 Ru4'
_chemical_formula_weight         2409.70
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.418(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   9.895(4)
_cell_length_b                   21.386(7)
_cell_length_c                   20.452(7)
_cell_measurement_reflns_used    10151
_cell_measurement_temperature    103
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      3.03
_cell_volume                     4270(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      103
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            27872
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.131
_exptl_absorpt_correction_T_max  0.924
_exptl_absorpt_correction_T_min  0.795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            darkgreen
_exptl_crystal_density_diffrn    1.874
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2340.00
_exptl_crystal_size_max          0.153
_exptl_crystal_size_mid          0.145
_exptl_crystal_size_min          0.070
_refine_diff_density_max         3.680
_refine_diff_density_min         -1.300
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     647
_refine_ls_number_reflns         7633
_refine_ls_number_restraints     349
_refine_ls_R_factor_gt           0.0945
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1246P)^2^+75.3887P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2739
_reflns_number_gt                5218
_reflns_number_total             7634
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3dt51271a.txt
_cod_data_source_block           '_Ru2-CF3CO2-TCNQF4-pyrene_2'
_cod_database_code               7023393