Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.
Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi; Chemical science 14 (2023) 791–800; doi:10.1039/d2sc06337a

data_1568199
_publ_section_title
;
 Inter-layer magnetic tuning by gas adsorption in &#x3c0;-stacked
 pillared-layer framework magnets.
;
_journal_issue                   4
_journal_name_full               'Chemical science'
_journal_page_first              791
_journal_page_last               800
_journal_paper_doi               10.1039/d2sc06337a
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C68 H8 F32 N4 O16 Ru4, C20 H30 Co, 2(O2)'
_chemical_formula_sum            'C88 H42 Co F32 N4 O20 Ru4'
_chemical_formula_weight         2546.452
_chemical_name_common            {[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)2O2
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_update_record
;
2022-11-15 deposited with the CCDC.	2022-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                96.889(4)
_cell_angle_beta                 109.083(6)
_cell_angle_gamma                99.555(5)
_cell_formula_units_Z            1
_cell_length_a                   10.3561(6)
_cell_length_b                   14.2275(7)
_cell_length_c                   16.1588(10)
_cell_measurement_temperature    120
_cell_volume                     2179.7(2)
_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)'
_diffrn_ambient_temperature      120
_diffrn_detector                 'Multiple micro-strip detector system'
_diffrn_measurement_device_type  debye-scherrer
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.799690
_diffrn_source                   'Synchrotron radiation'
_diffrn_source_type              'SPring-8 BL02B2'
_exptl_crystal_density_diffrn    1.9399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       powder
_exptl_crystal_F_000             1249.00
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  brown
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0060
_pd_meas_2theta_range_max        78.2160
_pd_meas_2theta_range_min        2.1000
_pd_meas_number_of_points        12687
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0060
_pd_proc_2theta_range_max        39.9960
_pd_proc_2theta_range_min        2.1000
_pd_proc_ls_background_function  'composite background function'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split Pearson VII function'
_pd_proc_ls_prof_R_factor        0.01889
_pd_proc_ls_prof_wR_expected     0.00704
_pd_proc_ls_prof_wR_factor       0.02545
_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   3.6133
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_constraints    73
_refine_ls_number_parameters     7
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.00317
_refine_ls_R_Fsqd_factor         0.00316
_refine_ls_R_I_factor            0.01916
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            d2sc06337a2.cif
_cod_data_source_block           Ru-2356F4-TCNQ-CoCp'2-O2
_cod_depositor_comments
'Adding full bibliography for 1568198--1568200.cif.'
_cod_original_formula_sum        'C88 H42 Co N4 Ru4 F32 O20'
_cod_database_code               1568199