Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.
Thuéry, Pierre; Harrowfield, Jack; Inorganic chemistry 56 (2017) 1455–1469; doi:10.1021/acs.inorgchem.6b02537

data_4345411
_publ_section_title
;
 Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion
 Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates:
 Consequences of Chirality.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1455
_journal_page_last               1469
_journal_paper_doi               10.1021/acs.inorgchem.6b02537
_journal_volume                  56
_journal_year                    2017
_chemical_absolute_configuration syn
_chemical_formula_sum            'C8 H10 O6 U'
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_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
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_cell_measurement_theta_min      3.09
_cell_volume                     519.02(5)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
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_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
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'SHELXTL (Sheldrick, 2008); PLATON (Spek, 2003)'
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'Nonius Kappa-CCD area-detector diffractometer'
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'2 \f and 13 \w scans with 2\% steps (792 frames)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0167
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         30.506
_diffrn_reflns_theta_min         3.094
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_T_min  0.242
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_exptl_crystal_colour            'translucent light yellow'
_exptl_crystal_density_diffrn    2.817
_exptl_crystal_description       lath
_exptl_crystal_F_000             396
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_exptl_crystal_size_min          0.05
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_refine_ls_abs_structure_details
;
The pure enantiomer of the ligand has been used.
;
_refine_ls_abs_structure_Flack   -0.002(15)
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_R_factor_all          0.0270
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0496P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                3050
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_shelx_res_checksum              46179
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