Halogen bonding in uranyl and neptunyl trichloroacetates with alkali metals and improved crystal chemical formulae for coordination compounds.
Savchenkov, Anton V.; Uhanov, Andrei S.; Grigoriev, Mikhail S.; Fedoseev, Aleksandr M.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 4210–4218; doi:10.1039/d0dt04083e

data_7706816
_publ_section_title
;
 Halogen bonding in uranyl and neptunyl trichloroacetates with alkali
 metals and improved crystal chemical formulae for coordination compounds.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4210
_journal_page_last               4218
_journal_paper_doi               10.1039/d0dt04083e
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C14 H4 Cl21 Cs3 O17 U'
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_audit_update_record
;
2020-11-13 deposited with the CCDC.	2021-02-19 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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'Bruker KAPPA APEX II area-detector diffractometer'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
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_exptl_crystal_description       fragment
_exptl_crystal_F_000             3352
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.494(5)
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0161P)^2^+0.2979P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0567
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_reflns_Friedel_coverage         0.818
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_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                11298
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt04083e3.cif
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_cod_depositor_comments
'Adding full bibliography for 7706813--7706816.cif.'
_cod_database_code               7706816
_shelx_shelxl_version_number     2018/3
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