CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions.
Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi; Chemical Communications (Cambridge, United Kingdom) 49 (2013) 1594–1596; doi:10.1039/c2cc36153a

data_7112363
_publ_section_title
;
 CO2 superabsorption in a paddlewheel-type Ru dimer chain compound:
 gate-open performance dependent on inter-chain interactions.
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   16
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              1594
_journal_page_last               1596
_journal_paper_doi               10.1039/c2cc36153a
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C40 H24 F4 N2 O8 Ru2'
_chemical_formula_weight         938.760
_chemical_name_common            (Ru2(p-F-PhCO2)4(phz))
_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'
_cell_angle_alpha                65.866(5)
_cell_angle_beta                 66.143(6)
_cell_angle_gamma                65.088(7)
_cell_formula_units_Z            1
_cell_length_a                   9.9825(8)
_cell_length_b                   10.9906(8)
_cell_length_c                   11.4527(7)
_cell_measurement_temperature    195(1)
_cell_volume                     998.22(14)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_computing_structure_solution    FOX
_diffrn_ambient_temperature      195(1)
_diffrn_detector                 'imaging plate'
_diffrn_measurement_device_type  debye-scherrer
_diffrn_radiation_monochromator  'Si crystal'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.799020
_diffrn_source                   synchrotron
_exptl_crystal_density_diffrn    1.5616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             932.00
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        50.0000
_pd_meas_2theta_range_min        3.0000
_pd_meas_number_of_points        4701
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        50.0000
_pd_proc_2theta_range_min        3.0000
_pd_proc_ls_background_function  'composite background function'
_pd_proc_ls_pref_orient_corr     ' none'
_pd_proc_ls_profile_function     'split Pearson VII function'
_pd_proc_ls_prof_R_factor        0.01836
_pd_proc_ls_prof_wR_expected     0.00661
_pd_proc_ls_prof_wR_factor       0.02733
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   4.1355
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_constraints    26
_refine_ls_number_parameters     91
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.00901
_refine_ls_R_Fsqd_factor         0.00901
_refine_ls_R_I_factor            0.01905
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_duplicate_entry             7108853
_cod_data_source_file            c2cc36153a.txt
_cod_data_source_block           Ru-pF-Phz-dry
_cod_original_cell_volume        998.2(1)
_cod_database_code               7112363