Incorporation of cu(2+) ions into nanotubular uranyl diphosphonates.
Adelani, Pius O.; Cook, Nathaniel D.; Babo, Jean-Marie; Burns, Peter C.; Inorganic chemistry 53 (2014) 4169–4176; doi:10.1021/ic500220d

data_4338061
_publ_section_title
;
 Incorporation of cu(2+) ions into nanotubular uranyl diphosphonates.
;
_journal_issue                   8
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4169
_journal_page_last               4176
_journal_paper_doi               10.1021/ic500220d
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C28 H19 Cu N2 O17 P4 U2'
_chemical_formula_sum            'C28 H19 Cu N2 O17 P4 U2'
_chemical_formula_weight         1318.93
_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 98.273(2)
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_cell_length_a                   9.2355(18)
_cell_length_b                   11.278(2)
_cell_length_c                   18.640(4)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.95
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_cell_volume                     1801.6(6)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0575
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_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_theta_min         1.93
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_exptl_absorpt_correction_T_min  0.5615
_exptl_absorpt_correction_type   empirical
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_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
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_exptl_crystal_size_max          0.166
_exptl_crystal_size_mid          0.042
_exptl_crystal_size_min          0.023
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8202
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_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0291P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0852
_reflns_number_gt                6064
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_reflns_threshold_expression     >2sigma(I)
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_cod_data_source_block           p-1a
_cod_depositor_comments
'Adding full bibliography for 4338061--4338063.cif.'
_cod_database_code               4338061