A unique uranyl framework containing uranyl pentamers as secondary building units: synthesis, structure, and spectroscopic properties.
Zhang, Yugang; Chen, Lanhua; Guan, Jingwen; Wang, Xia; Wang, Shuao; Diwu, Juan; Dalton transactions (Cambridge, England : 2003) 49 (2020) 3676–3679; doi:10.1039/c9dt03871j

data_7702938
_publ_section_title
;
 A unique uranyl framework containing uranyl pentamers as secondary
 building units: synthesis, structure, and spectroscopic properties.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3676
_journal_page_last               3679
_journal_paper_doi               10.1039/c9dt03871j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety
'C19 O28 U5, C6 H14 N, 2(C2 H8 N), (H2 O), (H3 O), (C3 H7 N O)'
_chemical_formula_sum            'C29 H22 N3 O30 U5'
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;
2019-10-27 deposited with the CCDC.	2019-11-20 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measurement_method       '0.5 wide w/ exposures'
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker'
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;
 Refined as an inversion twin.
;
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_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0296P)^2^+104.9223P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0803
_refine_ls_wR_factor_ref         0.0825
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                10670
_reflns_number_total             11615
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt03871j2.cif
_cod_data_source_block           a_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 

 Adding full bibliography for 7702938--7702939.cif.
;
_cod_original_cell_volume        4957.1(8)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7702938
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_shelx_res_checksum              73212