Layered ferrimagnets constructed from charge-transferred paddlewheel [Ru<sub>2</sub>] units and TCNQ derivatives: the importance of interlayer translational distance in determining magnetic ground state.
Kosaka, Wataru; Liu, Zhaoyuan; Miyasaka, Hitoshi; Dalton transactions (Cambridge, England : 2003) 47 (2018) 11760–11768; doi:10.1039/c8dt01566j

data_7046785
_publ_section_title
;
 Layered ferrimagnets constructed from charge-transferred paddlewheel
 [Ru<sub>2</sub>] units and TCNQ derivatives: the importance of interlayer
 translational distance in determining magnetic ground state.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11760
_journal_page_last               11768
_journal_paper_doi               10.1039/c8dt01566j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C72 H36 Cl4 F16 N4 O16 Ru4'
_chemical_formula_sum            'C72 H36 Cl4 F16 N4 O16 Ru4'
_chemical_formula_weight         2063.16
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_update_record
;
2018-06-06 deposited with the CCDC.
2018-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                91.729(18)
_cell_angle_beta                 110.860(16)
_cell_angle_gamma                103.26(2)
_cell_formula_units_Z            1
_cell_length_a                   10.537(3)
_cell_length_b                   14.504(5)
_cell_length_c                   15.711(5)
_cell_measurement_reflns_used    6560
_cell_measurement_temperature    116
_cell_measurement_theta_max      31.40
_cell_measurement_theta_min      1.40
_cell_volume                     2167.3(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2.5'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      116
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14455
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.454
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.749
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1012.00
_exptl_crystal_size_max          0.134
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.056
_refine_diff_density_max         1.63
_refine_diff_density_min         -1.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7474
_refine_ls_number_restraints     132
_refine_ls_R_factor_all          0.1085
_refine_ls_R_factor_gt           0.0894
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1493P)^2^+13.6083P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2424
_refine_ls_wR_factor_ref         0.2627
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5679
_reflns_number_total             7474
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c8dt01566j2.cif
_cod_data_source_block           Ru-35F2-TCNQMe-DCMDCE
_cod_depositor_comments
'Adding full bibliography for 7046784--7046786.cif.'
_cod_original_cell_volume        2167.2(12)
_cod_database_code               7046785
_shelx_res_checksum              9378
_shelx_fab_checksum              62009