Enhancing magnetic hardness by sonication assisted synthesis of heterometallic carbonato spin-glass Na[Ni(H<sub>2</sub>O)<sub>4</sub>Ru<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>]·3H<sub>2</sub>O.
Li, Jing-Yu; Tian, Yu-Chen; Feng, Li-Na; Zhou, Zi-Qin; Wang, Lin-Lin; Yang, Jian-Hui; Liu, Bin; Chemical communications (Cambridge, England) 56 (2020) 1369–1372; doi:10.1039/c9cc07876b

data_7125658
_publ_section_title
;
 Enhancing magnetic hardness by sonication assisted synthesis of
 heterometallic carbonato spin-glass
 Na[Ni(H<sub>2</sub>O)<sub>4</sub>Ru<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>]&#x00B7;3H<sub>2</sub>O.
;
_journal_issue                   9
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1369
_journal_page_last               1372
_journal_paper_doi               10.1039/c9cc07876b
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C4 H8 Na Ni O16 Ru2, 3(H2O)'
_chemical_formula_sum            'C4 H14 Na Ni O19 Ru2'
_chemical_formula_weight         649.99
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-03-07 deposited with the CCDC.	2019-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.251(3)
_cell_length_b                   9.2828(16)
_cell_length_c                   10.1645(17)
_cell_measurement_reflns_used    386
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.807
_cell_measurement_theta_min      2.231
_cell_volume                     1722.1(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 1.000
_diffrn_measured_fraction_theta_max 0.997
_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  0.0577
_diffrn_reflns_av_unetI/netI     0.0436
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8614
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.119
_diffrn_reflns_theta_min         2.232
_exptl_absorpt_coefficient_mu    2.936
_exptl_absorpt_correction_T_max  0.891
_exptl_absorpt_correction_T_min  0.710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.507
_exptl_crystal_description       block
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.467
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     150
_refine_ls_number_reflns         1714
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0631P)^2^+0.6477P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1080
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1347
_reflns_number_total             1714
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc07876b2.cif
_cod_data_source_block           xb0484
_cod_depositor_comments          'Adding full bibliography for 7125658.cif.'
_cod_database_code               7125658
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.720
_shelx_estimated_absorpt_t_max   0.892
_shelx_res_checksum              96429