Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl–peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands
Ridenour, J. August; Cahill, Christopher L.; New Journal of Chemistry 42 (2018) 1816–; doi:10.1039/C7NJ03828C

data_7056859
_publ_section_title
;
 Synthesis, structural analysis, and supramolecular assembly of a series
 of in situ generated uranyl--peroxide complexes with functionalized
 2,2&#x2032;-bipyridine and varied carboxylic acid ligands
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1816
_journal_paper_doi               10.1039/C7NJ03828C
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C30 H22 N4 O10 S2 U2'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
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_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-10-06 deposited with the CCDC.
2017-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'SAINT, Bruker-AXS'
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_computing_molecular_graphics    'Crystal Maker (Palmer, 2009)'
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_computing_structure_solution    'SIR 92 (Guagliardi, 1993)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker SMART APEXII'
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_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'fine-focused sealed tube'
_diffrn_source_type              Siemens
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_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.384
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0245P)^2^+38.6038P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0790
_refine_ls_wR_factor_ref         0.0847
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2562
_reflns_number_total             3263
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7nj03828c2.cif
_cod_data_source_block           compound4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7056854--7056861.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7056859
_shelx_res_checksum              91450