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_7056858
_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            'C36 H30 N4 O10 U2'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2017-10-06 deposited with the CCDC.
2017-12-21 downloaded from the CCDC.
;
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_cell_measurement_theta_min      2.57
_cell_volume                     1734.0(12)
_computing_cell_refinement       'SAINT, Bruker-AXS'
_computing_data_collection       'APEX, Bruker-AXS'
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_computing_molecular_graphics    'WinGX (Farrugia, 2012)'
_computing_publication_material  'Crystal Maker (Palmer, 2009)'
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_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       'omega scans'
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_l_min       -22
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_diffrn_source                   Siemens
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_F_000             1076
_exptl_crystal_recrystallization_method 'Methanol:Acetone - Photolytic'
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+5.7437P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                6513
_reflns_number_total             9580
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           compound5
_cod_depositor_comments
'Adding full bibliography for 7056854--7056861.cif.'
_cod_database_code               7056858
_shelx_res_checksum              31041