Inclusion complex between uranyl and an azacrown; structure of [UO~2~(18-azacrown-6)]^2+^.2CF~3~SO~3~^{-^}
Nierlich, M.; Sabattie, J.-M.; Keller, N.; Lance, M.; Vigner, J.-D.; Acta Crystallographica Section C 50 (1994) 52–54; doi:10.1107/S0108270193006717

data_2009378
_publ_section_title
;
 Inclusion complex between uranyl and an azacrown; structure of
 [UO~2~(18-azacrown-6)]^2+^.2CF~3~SO~3~^{-^}
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              52
_journal_page_last               54
_journal_paper_doi               10.1107/S0108270193006717
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C12 H30 N6,U O2,2(C F3 S O3)'
_chemical_formula_sum            'C14 H30 F6 N6 O8 S2 U'
_chemical_formula_weight         826.58
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 96.78(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.233(6)
_cell_length_b                   11.551(9)
_cell_length_c                   17.416(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    213
_cell_measurement_theta_max      12
_cell_measurement_theta_min      8
_cell_volume                     2643(3)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.01
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2963
_diffrn_reflns_theta_max         20
_diffrn_standards_decay_%        -4.9%_in_36_h_linearly_corrected
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.06
_exptl_absorpt_correction_T_max  1.118
_exptl_absorpt_correction_T_min  0.873
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    2.077
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.685
_refine_diff_density_min         -0.456
_refine_ls_goodness_of_fit_obs   4.3
_refine_ls_hydrogen_treatment    'H-atom parameters not introduced'
_refine_ls_number_parameters     234
_refine_ls_number_reflns         1744
_refine_ls_R_factor_obs          0.034
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          1744
_reflns_number_total             2450
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1044.cif
_cod_data_source_block           du1044_structure_1_of_1
_cod_original_cell_volume        2643(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2009378