Isolation and characterization of the dimetal decacarbonyl dication [Ru<sub>2</sub>(CO)<sub>10</sub>]<sup>2+</sup> and the metal-only Lewis-pair [Ag{Ru(CO)<sub>5</sub>}<sub>2</sub>]<sup>+</sup> .
Sellin, Malte; Grunenberg, Jörg; Krossing, Ingo; Dalton transactions (Cambridge, England : 2003) 54 (2025) 2294–2300; doi:10.1039/d4dt03364g

data_7717653
_publ_section_title
;
 Isolation and characterization of the dimetal decacarbonyl dication
 [Ru<sub>2</sub>(CO)<sub>10</sub>]<sup>2+</sup> and the metal-only
 Lewis-pair [Ag{Ru(CO)<sub>5</sub>}<sub>2</sub>]<sup>+</sup>&#x2009;.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2294
_journal_page_last               2300
_journal_paper_doi               10.1039/d4dt03364g
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety
'2(C24 Al2 F55 O6), C10 O10 Ru2, 2(C6 H2 F4) [+ solvent]'
_chemical_formula_sum            'C70 H4 Al4 F118 O22 Ru2'
_chemical_formula_weight         3748.79
_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   geom
_atom_sites_solution_primary     direct
_audit_creation_method
;FinalCif V139 by Daniel Kratzert, Freiburg 2024, 
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2024-10-10 deposited with the CCDC.	2024-12-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.031(12)
_cell_angle_beta                 95.653(12)
_cell_angle_gamma                90.044(8)
_cell_formula_units_Z            2
_cell_length_a                   12.594(3)
_cell_length_b                   19.643(4)
_cell_length_c                   23.887(6)
_cell_measurement_reflns_used    9643
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.2035
_cell_measurement_theta_min      2.244
_cell_volume                     5881(2)
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_collection
'Bruker BIS V6.2.15 Patch 4/2021-03-15 and APEX4 2022.1-1'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_av_unetI/netI     0.0354
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            198085
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.336
_diffrn_reflns_theta_min         1.625
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    0.537
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7063
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.117
_exptl_crystal_description       block
_exptl_crystal_F_000             3604
_exptl_crystal_recrystallization_method
'diffusion of n-pentane in 1,2,3,4-tetrafluorobenzene'
_exptl_crystal_size_max          0.249
_exptl_crystal_size_mid          0.215
_exptl_crystal_size_min          0.198
_refine_diff_density_max         0.815
_refine_diff_density_min         -1.152
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2424
_refine_ls_number_reflns         29301
_refine_ls_number_restraints     34962
_refine_ls_restrained_S_all      0.835
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0438
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0385P)^2^+13.6267P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1101
_reflns_Friedel_coverage         0.000
_reflns_number_gt                24977
_reflns_number_total             29301
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt03364g2.cif
_cod_data_source_block           P1_b_sq
_cod_depositor_comments
'Adding full bibliography for 7717653--7717654.cif.'
_cod_original_cell_volume        5880(2)
_cod_database_code               7717653
_shelx_shelxl_version_number     2019/3
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_shelx_res_checksum              83705
_shelx_fab_checksum              52979