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_7706814
_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 H7 Cl21 O19 Rb4 U'
_chemical_formula_weight         1803.56
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_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-11-13 deposited with the CCDC.	2021-02-19 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.993
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'Bruker KAPPA APEX II area-detector diffractometer'
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_diffrn_reflns_limit_h_max       20
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_diffrn_reflns_theta_max         30.000
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_exptl_absorpt_coefficient_mu    8.539
_exptl_absorpt_correction_T_max  0.482
_exptl_absorpt_correction_T_min  0.319
_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             3360
_exptl_crystal_size_max          0.200
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0229P)^2^+3.1388P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0621
_refine_ls_wR_factor_ref         0.0681
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10630
_reflns_number_total             14067
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt04083e3.cif
_cod_data_source_block           RbUAc
_cod_depositor_comments
'Adding full bibliography for 7706813--7706816.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7706814
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.280
_shelx_estimated_absorpt_t_max   0.482
_shelx_res_checksum              67774
_shelx_hkl_checksum              54010