Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives
Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.; CrystEngComm 27 (2025) 3018–3031; doi:10.1039/D5CE00184F

data_7250248
_publ_section_title
;
 Multi-component supramolecular compounds containing hexaamminecobalt(iii)
 cations and aromatic sulfonic acid derivatives
;
_journal_issue                   19
_journal_name_full               CrystEngComm
_journal_page_first              3018
_journal_page_last               3031
_journal_paper_doi               10.1039/D5CE00184F
_journal_volume                  27
_journal_year                    2025
_chemical_formula_sum            'C14 H26 Cl Co K2 N6 O10 S2'
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_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2025-01-09 deposited with the CCDC.	2025-04-08 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0435
_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^)+(0.0609P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1095
_refine_ls_wR_factor_ref         0.1200
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1861
_reflns_number_total             2428
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ce00184f2.cif
_cod_data_source_block           V_5614
_cod_depositor_comments
'Adding full bibliography for 7250246--7250252.cif.'
_cod_original_cell_volume        5088.8(5)
_cod_database_code               7250248
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.556
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_shelx_res_checksum              11515