##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, and has been peer         #
# reviewed under the auspices of the IUCr Commission on Journals.            #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
Dihydro[2.2.2]cryptand (2+)
di-μ-hydroxo-bis[bis(nitrato-κ²O,O')dioxouranium(VI)]
monohydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C18 H38 N2 O6 2+ , H2 N4 O18 U2 2- , H2 O'
_chemical_formula_sum     'C18 H42 N6 O25 U2'
_chemical_formula_iupac     '(C18 H38 N2 O6) [U2 O4 (N O3)4 (O H)2] , H2 O'
_chemical_formula_weight     1218.64
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     P-1
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.0595(5)
_cell_length_b     9.8517(5)
_cell_length_c     20.8019(12)
_cell_angle_alpha     86.528(3)
_cell_angle_beta     82.042(3)
_cell_angle_gamma     74.826(3)
_cell_volume     1774.04(17)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     12164
_cell_measurement_theta_min     2.79
_cell_measurement_theta_max     25.68
_cell_measurement_temperature     100(2)
_exptl_crystal_description     needle
_exptl_crystal_colour     'light yellow'
_exptl_crystal_size_max     0.3
_exptl_crystal_size_mid     0.1
_exptl_crystal_size_min     0.1
_exptl_crystal_density_diffrn     2.281
_exptl_crystal_density_meas     'not measured'
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1152
_exptl_absorpt_coefficient_mu     9.218
_exptl_absorpt_correction_type     empirical
_exptl_absorpt_process_details     '(DELABS in PLATON; Spek, 2000)'
_exptl_absorpt_correction_T_min     0.201
_exptl_absorpt_correction_T_max     0.398
_exptl_special_details
;
A 180° range in φ was scanned during both data collections, with 2° φ
steps. The crystal-to-detector distance was fixed at 28 mm.
;
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Nonius KappaCCD area-detector'
_diffrn_measurement_method     φ
_diffrn_reflns_number     12164
_diffrn_reflns_av_R_equivalents     0.039
_diffrn_reflns_av_sigmaI/netI     0.061
_diffrn_reflns_theta_min     2.79
_diffrn_reflns_theta_max     25.68
_diffrn_reflns_theta_full     25.68
_diffrn_measured_fraction_theta_max     0.924
_diffrn_measured_fraction_theta_full     0.924
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     25
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     none
_refine_special_details
;
 Structure solved by direct methods and subsequent Fourier-difference
 synthesis. All non-hydrogen atoms were refined with anisotropic
 displacement parameters. The H atoms bound to O and N have been
 found on the Fourier-difference map and introduced as riding atoms
 with an isotropic displacement parameter equal to 1.2 times that of
 the parent atom. All other H atoms were introduced at calculated
 positions as riding atoms with an isotropic displacement parameter
 equal to 1.2 times that of the parent atom.
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     6199
_reflns_number_gt     5014
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.041
_refine_ls_R_factor_gt     0.028
_refine_ls_wR_factor_gt     0.063
_refine_ls_wR_factor_ref     0.068
_refine_ls_goodness_of_fit_ref     1.042
_refine_ls_restrained_S_all     1.042
_refine_ls_number_reflns     6199
_refine_ls_number_parameters     460
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details     'calc w = 1/[σ²(Fo²)]'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.92
_refine_diff_density_min     -0.90
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'U' 'U' -9.6767 9.6646
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'KappaCCD Server Software (Nonius, 1997)'
_computing_cell_refinement     'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction     'DENZO-SMN'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Bruker, 1999)'
_computing_publication_material     'SHELXTL and PARST97 (Nardelli, 1995)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    U1 -0.05889(2) 0.69563(2) 0.973552(10) 0.02207(7) Uani d . 1 . . U
    U2 0.87830(2) 0.66955(2) 0.545312(10) 0.02116(7) Uani d . 1 . . U
    O1 -0.2555(5) 0.6901(4) 0.9762(2) 0.0287(10) Uani d . 1 . . O
    O2 0.1360(5) 0.7058(4) 0.9701(2) 0.0302(10) Uani d . 1 . . O
    O3 -0.1093(5) 0.8079(4) 1.0834(2) 0.0327(10) Uani d . 1 . . O
    O4 -0.1684(6) 0.9537(5) 1.0043(2) 0.0370(11) Uani d . 1 . . O
    O5 -0.2190(6) 1.0282(5) 1.1039(2) 0.0439(12) Uani d . 1 . . O
    O6 -0.1018(5) 0.8883(4) 0.8868(2) 0.0363(11) Uani d . 1 . . O
    O7 -0.0176(5) 0.6778(5) 0.8499(2) 0.0360(11) Uani d . 1 . . O
    O8 -0.0458(6) 0.8580(5) 0.7821(2) 0.0467(13) Uani d . 1 . . O
    O9 0.0279(5) 0.4653(4) 0.94029(19) 0.0235(9) Uani d . 1 . . O
    H9 0.0997 0.4541 0.8962 0.028 Uiso d R 1 . . H
    O10 0.7055(5) 0.6212(4) 0.53670(19) 0.0262(9) Uani d . 1 . . O
    O11 1.0469(5) 0.7248(4) 0.55390(19) 0.0276(9) Uani d . 1 . . O
    O12 0.8806(5) 0.5758(4) 0.6605(2) 0.0341(10) Uani d . 1 . . O
    O13 0.7440(5) 0.7888(4) 0.6499(2) 0.0294(10) Uani d . 1 . . O
    O14 0.7514(6) 0.6883(5) 0.7461(2) 0.0422(12) Uani d . 1 . . O
    O15 0.7237(5) 0.9269(4) 0.5400(2) 0.0307(10) Uani d . 1 . . O
    O16 0.8234(5) 0.8337(4) 0.4477(2) 0.0315(10) Uani d . 1 . . O
    O17 0.6683(6) 1.0462(5) 0.4504(2) 0.0373(11) Uani d . 1 . . O
    O18 0.9998(5) 0.4297(4) 0.55388(19) 0.0253(9) Uani d . 1 . . O
    H18 0.9445 0.3837 0.5768 0.030 Uiso d R 1 . . H
    N1 -0.1692(6) 0.9345(5) 1.0652(3) 0.0294(12) Uani d . 1 . . N
    N2 -0.0543(6) 0.8087(5) 0.8370(3) 0.0322(13) Uani d . 1 . . N
    N3 0.7913(6) 0.6837(5) 0.6881(3) 0.0300(12) Uani d . 1 . . N
    N4 0.7353(6) 0.9400(5) 0.4784(2) 0.0258(11) Uani d . 1 . . N
    O19 0.4973(5) 0.1410(4) 0.86130(19) 0.0262(9) Uani d . 1 . . O
    O20 0.4464(4) 0.1644(4) 0.7306(2) 0.0242(9) Uani d . 1 . . O
    O21 0.8219(5) 0.2592(5) 0.74850(19) 0.0296(10) Uani d . 1 . . O
    O22 0.7677(5) 0.2821(4) 0.61438(19) 0.0241(9) Uani d . 1 . . O
    O23 0.4378(5) 0.5731(4) 0.83267(19) 0.0266(9) Uani d . 1 . . O
    O24 0.3951(5) 0.6084(4) 0.69586(19) 0.0287(9) Uani d . 1 . . O
    N5 0.6675(5) 0.3411(5) 0.8719(2) 0.0242(11) Uani d . 1 . . N
    H5 0.6380 0.3348 0.8342 0.029 Uiso d R 1 . . H
    N6 0.4382(5) 0.3600(5) 0.6284(2) 0.0229(11) Uani d . 1 . . N
    H6 0.5181 0.3430 0.6524 0.027 Uiso d R 1 . . H
    C1 0.7112(7) 0.1988(6) 0.9044(3) 0.0269(13) Uani d . 1 . . C
    H1A 0.7490 0.2069 0.9450 0.032 Uiso calc R 1 . . H
    H1B 0.7933 0.1369 0.8768 0.032 Uiso calc R 1 . . H
    C2 0.5711(7) 0.1354(6) 0.9177(3) 0.0255(13) Uani d . 1 . . C
    H2A 0.6048 0.0382 0.9325 0.031 Uiso calc R 1 . . H
    H2B 0.4979 0.1867 0.9520 0.031 Uiso calc R 1 . . H
    C3 0.5765(7) 0.0344(6) 0.8156(3) 0.0276(14) Uani d . 1 . . C
    H3A 0.6017 -0.0567 0.8377 0.033 Uiso calc R 1 . . H
    H3B 0.6718 0.0544 0.7952 0.033 Uiso calc R 1 . . H
    C4 0.4744(7) 0.0326(6) 0.7654(3) 0.0272(13) Uani d . 1 . . C
    H4A 0.5233 -0.0430 0.7356 0.033 Uiso calc R 1 . . H
    H4B 0.3775 0.0163 0.7860 0.033 Uiso calc R 1 . . H
    C5 0.3248(7) 0.1794(6) 0.6930(3) 0.0249(13) Uani d . 1 . . C
    H5A 0.2331 0.1669 0.7201 0.030 Uiso calc R 1 . . H
    H5B 0.3533 0.1093 0.6596 0.030 Uiso calc R 1 . . H
    C6 0.2937(6) 0.3272(6) 0.6620(3) 0.0246(13) Uani d . 1 . . C
    H6A 0.2214 0.3353 0.6308 0.030 Uiso calc R 1 . . H
    H6B 0.2467 0.3956 0.6953 0.030 Uiso calc R 1 . . H
    C7 0.8056(7) 0.3940(7) 0.8416(3) 0.0292(14) Uani d . 1 . . C
    H7A 0.7693 0.4843 0.8200 0.035 Uiso calc R 1 . . H
    H7B 0.8631 0.4078 0.8756 0.035 Uiso calc R 1 . . H
    C8 0.9112(7) 0.2933(7) 0.7932(3) 0.0307(15) Uani d . 1 . . C
    H8A 0.9890 0.3362 0.7703 0.037 Uiso calc R 1 . . H
    H8B 0.9630 0.2085 0.8156 0.037 Uiso calc R 1 . . H
    C9 0.9186(7) 0.1770(7) 0.6967(3) 0.0279(14) Uani d . 1 . . C
    H9A 0.9747 0.0878 0.7141 0.034 Uiso calc R 1 . . H
    H9B 0.9931 0.2262 0.6761 0.034 Uiso calc R 1 . . H
    C10 0.8246(7) 0.1509(7) 0.6475(3) 0.0292(14) Uani d . 1 . . C
    H10A 0.8875 0.0819 0.6169 0.035 Uiso calc R 1 . . H
    H10B 0.7393 0.1153 0.6686 0.035 Uiso calc R 1 . . H
    C11 0.6919(7) 0.2700(7) 0.5600(3) 0.0266(13) Uani d . 1 . . C
    H11A 0.7536 0.1912 0.5342 0.032 Uiso calc R 1 . . H
    H11B 0.6831 0.3547 0.5329 0.032 Uiso calc R 1 . . H
    C12 0.5320(7) 0.2480(6) 0.5812(3) 0.0282(14) Uani d . 1 . . C
    H12A 0.4790 0.2519 0.5435 0.034 Uiso calc R 1 . . H
    H12B 0.5414 0.1557 0.6019 0.034 Uiso calc R 1 . . H
    C13 0.5640(7) 0.4490(6) 0.9185(3) 0.0278(14) Uani d . 1 . . C
    H13A 0.4762 0.4144 0.9372 0.033 Uiso calc R 1 . . H
    H13B 0.6205 0.4583 0.9536 0.033 Uiso calc R 1 . . H
    C14 0.5067(8) 0.5902(7) 0.8883(3) 0.0303(14) Uani d . 1 . . C
    H14A 0.4313 0.6504 0.9191 0.036 Uiso calc R 1 . . H
    H14B 0.5914 0.6333 0.8756 0.036 Uiso calc R 1 . . H
    C15 0.3891(8) 0.7066(7) 0.7995(3) 0.0313(14) Uani d . 1 . . C
    H15A 0.4788 0.7398 0.7821 0.038 Uiso calc R 1 . . H
    H15B 0.3248 0.7750 0.8301 0.038 Uiso calc R 1 . . H
    C16 0.3009(7) 0.6942(6) 0.7456(3) 0.0312(14) Uani d . 1 . . C
    H16A 0.2157 0.6544 0.7626 0.037 Uiso calc R 1 . . H
    H16B 0.2585 0.7871 0.7275 0.037 Uiso calc R 1 . . H
    C17 0.3132(8) 0.6170(7) 0.6410(3) 0.0308(14) Uani d . 1 . . C
    H17A 0.3032 0.7084 0.6193 0.037 Uiso calc R 1 . . H
    H17B 0.2108 0.6046 0.6548 0.037 Uiso calc R 1 . . H
    C18 0.4034(7) 0.5025(6) 0.5955(3) 0.0275(14) Uani d . 1 . . C
    H18A 0.3451 0.5006 0.5600 0.033 Uiso calc R 1 . . H
    H18B 0.4996 0.5238 0.5773 0.033 Uiso calc R 1 . . H
    O25 0.2383(5) 0.3929(4) 0.8317(2) 0.0311(10) Uani d . 1 . . O
    H25A 0.3124 0.4464 0.8191 0.037 Uiso d R 1 . . H
    H25B 0.2970 0.3029 0.8310 0.037 Uiso d R 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    U1 O1 . 1.789(4) yes
    U1 O2 . 1.786(4) yes
    U1 O3 . 2.531(4) yes
    U1 O4 . 2.561(4) yes
    U1 O6 . 2.529(4) yes
    U1 O7 . 2.559(4) yes
    U1 O9 . 2.313(4) yes
    U1 O9 2_567 2.317(4) yes
    U1 U1 2_567 3.8556(5) yes
    U2 O10 . 1.785(4) yes
    U2 O11 . 1.784(4) yes
    U2 O12 . 2.515(4) yes
    U2 O13 . 2.534(4) yes
    U2 O15 . 2.560(4) yes
    U2 O16 . 2.539(4) yes
    U2 O18 . 2.338(4) yes
    U2 O18 2_766 2.341(4) yes
    U2 U2 2_766 3.9156(5) yes
    O3 N1 . 1.281(6) ?
    O4 N1 . 1.268(7) ?
    O5 N1 . 1.215(7) ?
    O6 N2 . 1.293(7) ?
    O7 N2 . 1.266(6) ?
    O8 N2 . 1.214(7) ?
    O9 U1 2_567 2.317(4) ?
    O9 H9 . 1.0420 ?
    O12 N3 . 1.269(7) ?
    O13 N3 . 1.284(6) ?
    O14 N3 . 1.210(7) ?
    O15 N4 . 1.273(6) ?
    O16 N4 . 1.282(6) ?
    O17 N4 . 1.222(6) ?
    O18 U2 2_766 2.341(4) ?
    O18 H18 . 0.8426 ?
    O19 C2 . 1.420(7) ?
    O19 C3 . 1.436(7) ?
    O20 C5 . 1.410(7) ?
    O20 C4 . 1.427(7) ?
    O21 C8 . 1.421(7) ?
    O21 C9 . 1.434(7) ?
    O22 C11 . 1.428(7) ?
    O22 C10 . 1.433(7) ?
    O23 C14 . 1.427(7) ?
    O23 C15 . 1.439(7) ?
    O24 C16 . 1.412(7) ?
    O24 C17 . 1.433(7) ?
    N5 C1 . 1.499(7) ?
    N5 C13 . 1.516(7) ?
    N5 C7 . 1.523(8) ?
    N5 H5 . 0.8733 ?
    N6 C6 . 1.499(7) ?
    N6 C18 . 1.500(7) ?
    N6 C12 . 1.520(8) ?
    N6 H6 . 0.9096 ?
    C1 C2 . 1.540(8) ?
    C1 H1A . 0.9700 ?
    C1 H1B . 0.9700 ?
    C2 H2A . 0.9700 ?
    C2 H2B . 0.9700 ?
    C3 C4 . 1.492(8) ?
    C3 H3A . 0.9700 ?
    C3 H3B . 0.9700 ?
    C4 H4A . 0.9700 ?
    C4 H4B . 0.9700 ?
    C5 C6 . 1.529(8) ?
    C5 H5A . 0.9700 ?
    C5 H5B . 0.9700 ?
    C6 H6A . 0.9700 ?
    C6 H6B . 0.9700 ?
    C7 C8 . 1.506(9) ?
    C7 H7A . 0.9700 ?
    C7 H7B . 0.9700 ?
    C8 H8A . 0.9700 ?
    C8 H8B . 0.9700 ?
    C9 C10 . 1.493(8) ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C10 H10A . 0.9700 ?
    C10 H10B . 0.9700 ?
    C11 C12 . 1.522(8) ?
    C11 H11A . 0.9700 ?
    C11 H11B . 0.9700 ?
    C12 H12A . 0.9700 ?
    C12 H12B . 0.9700 ?
    C13 C14 . 1.486(9) ?
    C13 H13A . 0.9700 ?
    C13 H13B . 0.9700 ?
    C14 H14A . 0.9700 ?
    C14 H14B . 0.9700 ?
    C15 C16 . 1.494(9) ?
    C15 H15A . 0.9700 ?
    C15 H15B . 0.9700 ?
    C16 H16A . 0.9700 ?
    C16 H16B . 0.9700 ?
    C17 C18 . 1.506(9) ?
    C17 H17A . 0.9700 ?
    C17 H17B . 0.9700 ?
    C18 H18A . 0.9700 ?
    C18 H18B . 0.9700 ?
    O25 H25A . 0.9566 ?
    O25 H25B . 0.9069 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1 U1 O2 . . 178.51(18) yes
    O3 U1 O4 . . 49.89(14) yes
    O4 U1 O6 . . 59.24(14) yes
    O6 U1 O7 . . 50.29(14) yes
    O7 U1 O9 . . 67.56(14) yes
    O9 U1 O9 . 2_567 67.23(16) yes
    O9 U1 O3 2_567 . 66.26(13) yes
    U1 O9 U1 . 2_567 112.77(16) yes
    O2 U1 O9 . . 89.83(17) ?
    O1 U1 O9 . . 91.35(17) ?
    O2 U1 O9 . 2_567 90.88(16) ?
    O1 U1 O9 . 2_567 90.41(17) ?
    O2 U1 O6 . . 89.46(17) ?
    O1 U1 O6 . . 89.19(17) ?
    O9 U1 O6 . . 117.84(14) ?
    O9 U1 O6 2_567 . 174.92(14) ?
    O2 U1 O3 . . 87.30(18) ?
    O1 U1 O3 . . 92.53(17) ?
    O9 U1 O3 . . 133.33(13) ?
    O6 U1 O3 . . 108.70(14) ?
    O2 U1 O7 . . 88.64(18) ?
    O1 U1 O7 . . 90.98(17) ?
    O9 U1 O7 2_567 . 134.78(14) ?
    O3 U1 O7 . . 158.66(14) ?
    O2 U1 O4 . . 92.95(18) ?
    O1 U1 O4 . . 85.82(17) ?
    O9 U1 O4 . . 175.91(14) ?
    O9 U1 O4 2_567 . 115.69(14) ?
    O7 U1 O4 . . 109.49(14) ?
    O10 U2 O11 . . 177.80(17) yes
    O12 U2 O13 . . 50.52(13) yes
    O13 U2 O15 . . 61.18(13) yes
    O15 U2 O16 . . 50.02(13) yes
    O12 U2 O18 . . 66.28(13) yes
    O18 U2 O18 . 2_766 66.40(15) yes
    O18 U2 O16 2_766 . 66.15(13) yes
    U2 O18 U2 . 2_766 113.60(15) yes
    O11 U2 O18 . . 94.33(17) ?
    O10 U2 O18 . . 87.87(16) ?
    O11 U2 O18 . 2_766 89.10(17) ?
    O10 U2 O18 . 2_766 91.93(16) ?
    O11 U2 O12 . . 87.87(17) ?
    O10 U2 O12 . . 92.87(17) ?
    O18 U2 O12 2_766 . 132.18(13) ?
    O11 U2 O13 . . 90.25(16) ?
    O10 U2 O13 . . 88.62(16) ?
    O18 U2 O13 . . 116.38(13) ?
    O18 U2 O13 2_766 . 177.19(13) ?
    O11 U2 O16 . . 92.02(17) ?
    O10 U2 O16 . . 86.63(16) ?
    O18 U2 O16 . . 131.96(13) ?
    O18 U2 O16 2_766 . 66.15(13) ?
    O12 U2 O16 . . 161.65(14) ?
    O13 U2 O16 . . 111.15(13) ?
    O11 U2 O15 . . 89.99(16) ?
    O10 U2 O15 . . 87.81(16) ?
    O18 U2 O15 . . 175.09(14) ?
    O18 U2 O15 2_766 . 116.08(13) ?
    O12 U2 O15 . . 111.63(13) ?
    N1 O3 U1 . . 98.0(3) ?
    N1 O4 U1 . . 97.0(3) ?
    N2 O6 U1 . . 97.4(3) ?
    N2 O7 U1 . . 96.8(3) ?
    U1 O9 H9 . . 113.4 ?
    U1 O9 H9 2_567 . 124.4 ?
    N3 O12 U2 . . 97.8(3) ?
    N3 O13 U2 . . 96.5(3) ?
    N4 O15 U2 . . 96.9(3) ?
    N4 O16 U2 . . 97.6(3) ?
    U2 O18 H18 . . 113.1 ?
    U2 O18 H18 2_766 . 115.5 ?
    O5 N1 O4 . . 123.5(5) ?
    O5 N1 O3 . . 121.6(5) ?
    O4 N1 O3 . . 114.9(5) ?
    O8 N2 O7 . . 123.2(6) ?
    O8 N2 O6 . . 121.5(5) ?
    O7 N2 O6 . . 115.3(5) ?
    O14 N3 O12 . . 123.1(6) ?
    O14 N3 O13 . . 121.8(5) ?
    O12 N3 O13 . . 115.1(5) ?
    O17 N4 O15 . . 122.6(5) ?
    O17 N4 O16 . . 122.3(5) ?
    O15 N4 O16 . . 115.1(5) ?
    C2 O19 C3 . . 113.6(4) ?
    C5 O20 C4 . . 111.0(4) ?
    C8 O21 C9 . . 111.2(5) ?
    C11 O22 C10 . . 113.7(4) ?
    C14 O23 C15 . . 110.0(4) ?
    C16 O24 C17 . . 109.7(4) ?
    C1 N5 C13 . . 111.3(5) ?
    C1 N5 C7 . . 113.5(4) ?
    C13 N5 C7 . . 109.5(5) ?
    C1 N5 H5 . . 110.6 ?
    C13 N5 H5 . . 118.1 ?
    C7 N5 H5 . . 92.7 ?
    C6 N6 C18 . . 111.0(4) ?
    C6 N6 C12 . . 113.3(4) ?
    C18 N6 C12 . . 111.0(5) ?
    C6 N6 H6 . . 115.4 ?
    C18 N6 H6 . . 114.5 ?
    C12 N6 H6 . . 90.0 ?
    N5 C1 C2 . . 110.5(5) ?
    N5 C1 H1A . . 109.5 ?
    C2 C1 H1A . . 109.5 ?
    N5 C1 H1B . . 109.5 ?
    C2 C1 H1B . . 109.6 ?
    H1A C1 H1B . . 108.1 ?
    O19 C2 C1 . . 111.6(5) ?
    O19 C2 H2A . . 109.3 ?
    C1 C2 H2A . . 109.2 ?
    O19 C2 H2B . . 109.4 ?
    C1 C2 H2B . . 109.3 ?
    H2A C2 H2B . . 107.9 ?
    O19 C3 C4 . . 108.6(5) ?
    O19 C3 H3A . . 110.0 ?
    C4 C3 H3A . . 110.0 ?
    O19 C3 H3B . . 110.0 ?
    C4 C3 H3B . . 110.0 ?
    H3A C3 H3B . . 108.3 ?
    O20 C4 C3 . . 109.2(5) ?
    O20 C4 H4A . . 109.9 ?
    C3 C4 H4A . . 109.9 ?
    O20 C4 H4B . . 109.8 ?
    C3 C4 H4B . . 109.8 ?
    H4A C4 H4B . . 108.3 ?
    O20 C5 C6 . . 107.6(5) ?
    O20 C5 H5A . . 110.2 ?
    C6 C5 H5A . . 110.2 ?
    O20 C5 H5B . . 110.2 ?
    C6 C5 H5B . . 110.2 ?
    H5A C5 H5B . . 108.5 ?
    N6 C6 C5 . . 112.1(5) ?
    N6 C6 H6A . . 109.2 ?
    C5 C6 H6A . . 109.2 ?
    N6 C6 H6B . . 109.1 ?
    C5 C6 H6B . . 109.2 ?
    H6A C6 H6B . . 107.9 ?
    C8 C7 N5 . . 112.3(5) ?
    C8 C7 H7A . . 109.2 ?
    N5 C7 H7A . . 109.2 ?
    C8 C7 H7B . . 109.1 ?
    N5 C7 H7B . . 109.1 ?
    H7A C7 H7B . . 107.9 ?
    O21 C8 C7 . . 108.8(5) ?
    O21 C8 H8A . . 109.9 ?
    C7 C8 H8A . . 110.0 ?
    O21 C8 H8B . . 109.9 ?
    C7 C8 H8B . . 109.9 ?
    H8A C8 H8B . . 108.3 ?
    O21 C9 C10 . . 110.7(5) ?
    O21 C9 H9A . . 109.5 ?
    C10 C9 H9A . . 109.5 ?
    O21 C9 H9B . . 109.5 ?
    C10 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 108.1 ?
    O22 C10 C9 . . 107.5(5) ?
    O22 C10 H10A . . 110.2 ?
    C9 C10 H10A . . 110.2 ?
    O22 C10 H10B . . 110.2 ?
    C9 C10 H10B . . 110.2 ?
    H10A C10 H10B . . 108.5 ?
    O22 C11 C12 . . 111.6(5) ?
    O22 C11 H11A . . 109.3 ?
    C12 C11 H11A . . 109.3 ?
    O22 C11 H11B . . 109.3 ?
    C12 C11 H11B . . 109.3 ?
    H11A C11 H11B . . 107.9 ?
    N6 C12 C11 . . 110.9(5) ?
    N6 C12 H12A . . 109.5 ?
    C11 C12 H12A . . 109.4 ?
    N6 C12 H12B . . 109.5 ?
    C11 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 108.1 ?
    C14 C13 N5 . . 114.2(5) ?
    C14 C13 H13A . . 108.7 ?
    N5 C13 H13A . . 108.7 ?
    C14 C13 H13B . . 108.7 ?
    N5 C13 H13B . . 108.7 ?
    H13A C13 H13B . . 107.6 ?
    O23 C14 C13 . . 108.1(5) ?
    O23 C14 H14A . . 110.0 ?
    C13 C14 H14A . . 110.1 ?
    O23 C14 H14B . . 110.1 ?
    C13 C14 H14B . . 110.1 ?
    H14A C14 H14B . . 108.4 ?
    O23 C15 C16 . . 110.9(5) ?
    O23 C15 H15A . . 109.5 ?
    C16 C15 H15A . . 109.4 ?
    O23 C15 H15B . . 109.4 ?
    C16 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 108.1 ?
    O24 C16 C15 . . 111.6(5) ?
    O24 C16 H16A . . 109.3 ?
    C15 C16 H16A . . 109.3 ?
    O24 C16 H16B . . 109.3 ?
    C15 C16 H16B . . 109.3 ?
    H16A C16 H16B . . 108.0 ?
    O24 C17 C18 . . 107.7(5) ?
    O24 C17 H17A . . 110.2 ?
    C18 C17 H17A . . 110.1 ?
    O24 C17 H17B . . 110.2 ?
    C18 C17 H17B . . 110.1 ?
    H17A C17 H17B . . 108.5 ?
    N6 C18 C17 . . 112.7(5) ?
    N6 C18 H18A . . 109.1 ?
    C17 C18 H18A . . 109.1 ?
    N6 C18 H18B . . 109.0 ?
    C17 C18 H18B . . 109.0 ?
    H18A C18 H18B . . 107.8 ?
    H25A O25 H25B . . 103.1 ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    N5 H5 O19 . 0.87 2.56 2.837(6) 100
    N5 H5 O21 . 0.87 2.28 2.805(6) 119
    N5 H5 O23 . 0.87 2.57 2.824(6) 98
    N6 H6 O20 . 0.91 2.47 2.777(6) 100
    N6 H6 O22 . 0.91 2.23 2.858(6) 126
    N6 H6 O24 . 0.91 2.72 2.806(6) 86
    O9 H9 O25 . 1.04 1.73 2.746(6) 165
    O18 H18 O22 . 0.84 2.14 2.961(6) 165
    O25 H25B O19 . 0.91 2.22 3.035(6) 150
    O25 H25A O23 . 0.96 1.95 2.849(6) 155
data_global
_journal_date_recd_electronic     2002-09-05
_journal_date_accepted     2002-10-11
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2002
_journal_volume     58
_journal_issue     11
_journal_page_first     m556
_journal_page_last     m558
_journal_paper_category     FM
_publ_contact_author     'Pierre Thuery'
_publ_contact_author_email     thuery@drecam.cea.fr
_publ_contact_author_fax     '33 1 69 08 66 40'
_publ_contact_author_phone     '33 01 69 08 63 29'
_publ_section_title
;
Dihydro[2.2.2]cryptand (2+)
di-μ-hydroxo-bis[bis(nitrato-κ²O,O')dioxouranium(VI)]
monohydrate
;
loop_
    _publ_author_name
    _publ_author_address
    "Thuéry, Pierre"
;
CEA/Saclay
DSM/DRECAM/SCM (CNRS URA 331)
Bâtiment 125
91191 Gif-sur-Yvette
France
;
    'Masci, Bernardo'
;
Dipartimento di Chimica
Università `La Sapienza'
PO Box 34
Roma 62
P.le Aldo Moro 5
00185 Roma
Italy
;
