Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.
He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin; Dalton transactions (Cambridge, England : 2003) 53 (2024) 4598–4606; doi:10.1039/d3dt03864e

data_7715051
_publ_section_title
;
 Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru
 bonds chelated and bridged by two carbonate and two oxo groups.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4598
_journal_page_last               4606
_journal_paper_doi               10.1039/d3dt03864e
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C14 H32 N4 O10 Ru2, 10(H2 O), 2(O1.14)'
_chemical_formula_sum            'C14 H56 N4 O22 Ru2'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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_audit_block_doi                 10.5517/ccdc.csd.cc2hh5z5
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-01-06 deposited with the CCDC.	2024-01-15 downloaded from the CCDC.
;
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_cell_angle_beta                 90.810(2)
_cell_angle_gamma                90
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_cell_length_c                   14.3344(11)
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      3.891
_cell_volume                     1609.5(2)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0234
_diffrn_reflns_av_unetI/netI     0.0219
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.987
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_diffrn_reflns_limit_l_max       17
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_diffrn_reflns_point_group_measured_fraction_full 0.993
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_exptl_absorpt_coefficient_mu    5.674
_exptl_absorpt_correction_T_max  0.313
_exptl_absorpt_correction_T_min  0.152
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
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_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0237
_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^)+(0.0351P)^2^+1.9842P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0622
_refine_ls_wR_factor_ref         0.0626
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2938
_reflns_number_total             3029
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03864e2.cif
_cod_data_source_block           20210416gl_0m_a
_cod_depositor_comments
'Adding full bibliography for 7715050--7715056.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_estimated_absorpt_t_min   0.235
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_shelx_res_checksum              62954