Unveiling the new function of uranyl molecular clusters as fluorometric sensors for UV and X-ray dosimetry.
Lu, Huangjie; Zheng, Zhaofa; Qiu, Jie; Qian, Yuan; Wang, Jian-Qiang; Lin, Jian; Dalton transactions (Cambridge, England : 2003) 51 (2022) 3041–3045; doi:10.1039/d1dt04225d

data_7709441
_publ_section_title
;
 Unveiling the new function of uranyl molecular clusters as fluorometric
 sensors for UV and X-ray dosimetry.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3041
_journal_page_last               3045
_journal_paper_doi               10.1039/d1dt04225d
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C37 N6 O11 U3, 1.5(O)'
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_chemical_melting_point          ?
_chemical_name_common            'Uranyl phen'
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2022-01-24 deposited with the CCDC.	2022-01-26 downloaded from the CCDC.
;
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_cell_measurement_reflns_used    8585
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      54.653
_cell_measurement_theta_min      4.939
_cell_volume                     2463.3(16)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0542P)^2^+17.9618P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1068
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9611
_reflns_number_total             11336
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt04225d2.cif
_cod_data_source_block           Uphen2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'N/a' was changed to '?' --
the value is undefined or not given.

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

 Adding full bibliography for 7709440--7709441.cif.

2025-04-02
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C74 N12 O25 U6'
_cod_original_formula_weight         2886.05
_cod_original_formula_moiety         '2(C37 N6 O11 U3), 3(O)'
_cod_original_formula_units_Z            1
_cod_original_cell_volume        2463.5(16)
_cod_database_code               7709441
_shelxl_version_number           2014-3
_olex2_refinement_description
;
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_shelx_res_checksum              50032
_shelx_hkl_checksum              7521
_shelx_fab_checksum              98128
_olex2_submission_special_instructions 'No special instructions were received'