Homo-valent diruthenium(II,II) carbonates Na<sub>4</sub>[Ru<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>]·10H<sub>2</sub>O: synthesis, structure, properties, and calculation.
Li, Jing-Yu; Zhang, Pei; Yang, Jian-Hui; Liu, Bin; Dalton transactions (Cambridge, England : 2003) 52 (2023) 1316–1322; doi:10.1039/d2dt03846c

data_7712091
_publ_section_title
;
 Homo-valent diruthenium(II,II) carbonates
 Na<sub>4</sub>[Ru<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>]&#xb7;10H<sub>2</sub>O:
 synthesis, structure, properties, and calculation.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1316
_journal_page_last               1322
_journal_paper_doi               10.1039/d2dt03846c
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C4 H18 Na4 O21 Ru2, H2 O'
_chemical_formula_sum            'C4 H20 Na4 O22 Ru2'
_chemical_formula_weight         714.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-09-18 deposited with the CCDC.	2022-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.461(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.0029(12)
_cell_length_b                   9.0127(4)
_cell_length_c                   9.9585(5)
_cell_measurement_reflns_used    8380
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      53.16
_cell_measurement_theta_min      3.50
_cell_volume                     1969.45(17)
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_av_unetI/netI     0.0375
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10766
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        53.205
_diffrn_reflns_theta_max         53.204
_diffrn_reflns_theta_min         4.614
_exptl_absorpt_coefficient_mu    9.660
_exptl_absorpt_correction_T_max  0.359
_exptl_absorpt_correction_T_min  0.242
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.409
_exptl_crystal_description       plate
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_refine_diff_density_max         2.486
_refine_diff_density_min         -1.404
_refine_diff_density_rms         0.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1739
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0530
_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^)+(0.0876P)^2^+50.6458P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1422
_refine_ls_wR_factor_ref         0.1442
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1641
_reflns_number_total             1739
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt03846c2.cif
_cod_data_source_block           1_a
_cod_depositor_comments          'Adding full bibliography for 7712091.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7712091
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.225
_shelx_estimated_absorpt_t_max   0.390
_shelx_res_checksum              49722
_shelx_hkl_checksum              59011