Grinding enhances the magnetic hardness of heterometallic diruthenium(ii,iii) carbonates with a kagome lattice structure.
Feng, Li-Na; Tian, Yu-Chen; Li, Jing-Yu; Yang, Jian-Hui; Liu, Bin; Dalton transactions (Cambridge, England : 2003) 49 (2020) 17152–17156; doi:10.1039/d0dt03807e

data_7705757
_publ_section_title
;
 Grinding enhances the magnetic hardness of heterometallic
 diruthenium(ii,iii) carbonates with a kagome lattice structure.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17152
_journal_page_last               17156
_journal_paper_doi               10.1039/d0dt03807e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C12 H36 Cd3 Cs3 O54 Ru6, 4(H2 O)'
_chemical_formula_sum            'C12 H44 Cd3 Cs3 O58 Ru6'
_chemical_formula_weight         2458.82
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-07-20 deposited with the CCDC.	2020-11-16 downloaded from the CCDC.
;
_cell_angle_alpha                106.574(4)
_cell_angle_beta                 107.651(4)
_cell_angle_gamma                105.595(2)
_cell_formula_units_Z            1
_cell_length_a                   10.2725(18)
_cell_length_b                   12.332(2)
_cell_length_c                   12.943(4)
_cell_measurement_reflns_used    1556
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.665
_cell_measurement_theta_min      2.259
_cell_volume                     1379.5(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0739
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.931
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7877
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.931
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.159
_diffrn_reflns_theta_min         1.801
_exptl_absorpt_coefficient_mu    4.811
_exptl_absorpt_correction_T_max  0.425
_exptl_absorpt_correction_T_min  0.262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    2.960
_exptl_crystal_description       block
_exptl_crystal_F_000             1153
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.879
_refine_diff_density_min         -1.245
_refine_diff_density_rms         0.330
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5700
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0824P)^2^+0.9186P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1312
_refine_ls_wR_factor_ref         0.1511
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4220
_reflns_number_total             5700
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03807e2.cif
_cod_data_source_block           CdRu
_cod_depositor_comments          'Adding full bibliography for 7705757.cif.'
_cod_database_code               7705757
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.284
_shelx_estimated_absorpt_t_max   0.478
_shelx_res_checksum              3290