The first actinide polyiodate: a complex multifunctional compound with promising X-ray luminescence properties and proton conductivity.
Murphy, Gabriel L.; Wang, Yaxing; Kegler, Philip; Wang, Yumin; Wang, Shuao; Alekseev, Evgeny V.; Chemical communications (Cambridge, England) 57 (2021) 496–499; doi:10.1039/d0cc06835g

data_7127642
_publ_section_title
;
 The first actinide polyiodate: a complex multifunctional compound with
 promising X-ray luminescence properties and proton conductivity.
;
_journal_issue                   4
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              496
_journal_page_last               499
_journal_paper_doi               10.1039/d0cc06835g
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'I14 K4 O51 U2'
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_space_group_name_H-M_alt        'P n a 21'
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-10-09 deposited with the CCDC.	2020-11-24 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
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_exptl_crystal_description       column
_exptl_crystal_F_000             11280
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_refine_ls_abs_structure_details
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_refine_ls_extinction_coef       0.000033(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1280
_refine_ls_number_reflns         32377
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_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0808
_refine_ls_R_factor_gt           0.0547
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0409P)^2^+68.4906P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1317
_reflns_Friedel_coverage         0.960
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.945
_reflns_number_gt                24589
_reflns_number_total             32377
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc06835g2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7127642.cif.'
_cod_database_code               7127642
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_shelx_estimated_absorpt_t_max   0.485
_diffrn_standards_decay          0
_shelx_res_checksum              70289
_shelx_hkl_checksum              51677