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_7056856
_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_moiety         'C34 H24 I2 N4 O10 U2'
_chemical_formula_sum            'C34 H24 I2 N4 O10 U2'
_chemical_formula_weight         1378.43
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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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_cell_measurement_temperature    100(2)
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_cell_volume                     1813.0(2)
_computing_cell_refinement       'SAINT, Bruker-AXS'
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEXII'
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_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_theta_min         2.102
_diffrn_source                   'fine-focused sealed tube'
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_exptl_absorpt_coefficient_mu    10.686
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.525
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1252
_exptl_crystal_recrystallization_method 'Slow Evaporation/Photolytic'
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_exptl_crystal_size_min          0.098
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_refine_ls_extinction_method     none
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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^)+(0.0564P)^2^+25.4557P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1121
_refine_ls_wR_factor_ref         0.1166
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3320
_reflns_number_total             3728
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           compound3
_cod_depositor_comments
'Adding full bibliography for 7056854--7056861.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7056856
_shelx_estimated_absorpt_t_min   0.125
_shelx_estimated_absorpt_t_max   0.421
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