Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework
Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G.; Chemical Science 11 (2020) 4648–4668; doi:10.1039/C9SC06117G

data_1557944
_publ_section_title
;
 Structural properties of ultra-small thorium and uranium dioxide
 nanoparticles embedded in a covalent organic framework
;
_journal_issue                   18
_journal_name_full               'Chemical Science'
_journal_page_first              4648
_journal_page_last               4668
_journal_paper_doi               10.1039/C9SC06117G
_journal_volume                  11
_journal_year                    2020
_chemical_formula_sum            'C20 H4 F24 O8 U'
_chemical_formula_weight         1066.26
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      tetragonal
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_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2019-09-09 deposited with the CCDC.	2020-04-13 downloaded from the CCDC.
;
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_computing_cell_refinement       'SAINT V8.37A Bruker, Madison WI'
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_computing_data_reduction        'SAINT V8.37A Bruker, Madison WI'
_computing_molecular_graphics    ORTEP-32
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_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       'phi and omega shutterless scans'
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_diffrn_reflns_limit_k_min       -21
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_diffrn_reflns_number            39526
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_diffrn_source                   'Advanced Light Source, station 11.3.1'
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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^)+(0.0753P)^2^+147.6267P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1361
_refine_ls_wR_factor_ref         0.1667
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2711
_reflns_number_total             4162
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9sc06117g2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_secondary' value 'diffmap' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1557943--1557944.cif.

 Adding full bibliography for 1557943--1557944.cif.
;
_cod_original_cell_volume        9088.8(5)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               1557944
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.860
_shelx_estimated_absorpt_t_max   0.940
_shelx_res_checksum              20633