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_7023392
_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         'C62.60 H29.20 Cl5.20 F24 N4 O16 Ru4'
_chemical_formula_sum            'C62.6 H29.2 Cl5.2 F24 N4 O16 Ru4'
_chemical_formula_weight         2137.93
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                98.591(4)
_cell_angle_beta                 104.313(4)
_cell_angle_gamma                97.696(3)
_cell_formula_units_Z            1
_cell_length_a                   10.108(3)
_cell_length_b                   13.897(4)
_cell_length_c                   15.301(4)
_cell_measurement_reflns_used    6156
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.07
_cell_volume                     2026.3(10)
_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      93
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0178
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20371
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.019
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1041.20
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.760
_refine_diff_density_min         -2.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     597
_refine_ls_number_reflns         7072
_refine_ls_number_restraints     264
_refine_ls_R_factor_gt           0.0881
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1415P)^2^+28.8871P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2515
_reflns_number_gt                6249
_reflns_number_total             7084
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3dt51271a.txt
_cod_data_source_block           '_Ru2-CF3CO2-TCNQ-pyrene_1'
_cod_original_cell_volume        2026.2(10)
_cod_original_formula_sum        'C62.60 H29.20 Cl5.20 F24 N4 O16 Ru4'
_cod_database_code               7023392