##############################################################################
###                                                                        ###
###           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     SHELXL-97
_chemical_name_systematic     ?
_chemical_name_common     ?
_chemical_formula_moiety     'C28 H32 N2 O8 U, C4 H8 O'
_chemical_formula_sum     'C32 H40 N2 O9 U'
_chemical_formula_iupac     '[U (C18 H18 N2 O4) (C5 H7 O2)2], C4 H8 O'
_chemical_formula_weight     834.69
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     11.9744(6)
_cell_length_b     15.7475(4)
_cell_length_c     16.7330(8)
_cell_angle_alpha     90.00
_cell_angle_beta     91.249(2)
_cell_angle_gamma     90.00
_cell_volume     3154.5(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     21373
_cell_measurement_theta_min     2.76
_cell_measurement_theta_max     25.68
_cell_measurement_temperature     100(2)
_exptl_crystal_description     platelet
_exptl_crystal_colour     'translucent light brown'
_exptl_crystal_size_max     0.40
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     1.758
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     1640
_exptl_absorpt_coefficient_mu     5.202
_exptl_absorpt_correction_type     refdelf
_exptl_absorpt_process_details     'program DELABS from PLATON (Spek, 2003)'
_exptl_absorpt_correction_T_min     0.326
_exptl_absorpt_correction_T_max     0.776
_exptl_special_details
;
 A 180° range in φ was scanned
during both data collections, with 2° φ steps. Crystal-to-detector
distance 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'
_diffrn_measurement_method     'φ scans'
_diffrn_detector_area_resol_mean     18
_diffrn_reflns_number     21373
_diffrn_reflns_av_R_equivalents     0.0647
_diffrn_reflns_av_sigmaI/netI     0.0550
_diffrn_reflns_theta_min     2.76
_diffrn_reflns_theta_max     25.68
_diffrn_reflns_theta_full     25.68
_diffrn_measured_fraction_theta_max     0.986
_diffrn_measured_fraction_theta_full     0.986
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -18
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     20
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_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 O1 and
O4 were found on the Fourier-difference map and introduced as
riding atoms with an isotropic displacement parameter equal to
1.2 times that of their parent atom. All the other H
atoms were introduced at calculated positions as riding atoms with
an isotropic displacement parameter equal to 1.2 (CH, CH₂) or 1.5
(CH₃) times that of the parent atom.
The highest residual electron density peak is located
near U, as a result of imperfect absorption corrections.
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     5900
_reflns_number_gt     4733
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0551
_refine_ls_R_factor_gt     0.0393
_refine_ls_wR_factor_gt     0.0862
_refine_ls_wR_factor_ref     0.0923
_refine_ls_goodness_of_fit_ref     1.045
_refine_ls_restrained_S_all     1.046
_refine_ls_number_reflns     5900
_refine_ls_number_parameters     403
_refine_ls_number_restraints     6
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0361P)²+7.4599P] where P=(Fo²+2Fc²)/3'
_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     1.292
_refine_diff_density_min     -1.559
_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 Software (Nonius, 1997)'
_computing_cell_refinement     'DENZO--SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction     'DENZO--SMN (Otwinowski & Minor, 1997)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material
                                   'SHELXTL (Bruker, 1999), PLATON (Spek, 2003)'
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
    U 0.38509(2) 0.035546(14) 0.662311(13) 0.02824(9) Uani d . 1 . . U
    O1 0.2920(4) 0.0400(3) 0.3820(3) 0.0378(10) Uani d . 1 . . O
    H1 0.3469 0.0266 0.4130 0.045 Uiso d R 1 . . H
    O2 0.2962(4) 0.0448(3) 0.5461(2) 0.0333(10) Uani d . 1 . . O
    O3 0.5352(4) 0.0281(3) 0.7443(2) 0.0342(10) Uani d . 1 . . O
    O4 0.7609(4) 0.0307(3) 0.7641(3) 0.0470(12) Uani d . 1 . . O
    H4 0.7181 0.0066 0.7253 0.056 Uiso d R 1 . . H
    N1 0.1734(5) 0.0792(4) 0.6866(3) 0.0443(15) Uani d . 1 . . N
    N2 0.3296(5) 0.0464(3) 0.8116(3) 0.0420(14) Uani d . 1 . . N
    C1 0.2005(6) 0.0645(4) 0.4229(4) 0.0344(14) Uani d . 1 . . C
    C2 0.2030(5) 0.0672(4) 0.5071(4) 0.0348(14) Uani d . 1 . . C
    C3 0.1060(6) 0.0912(5) 0.5462(4) 0.0439(17) Uani d . 1 . . C
    C4 0.0087(7) 0.1126(6) 0.5011(5) 0.058(2) Uani d . 1 . . C
    H4A -0.0555 0.1285 0.5276 0.070 Uiso calc R 1 . . H
    C5 0.0073(6) 0.1104(6) 0.4194(4) 0.054(2) Uani d . 1 . . C
    H5 -0.0574 0.1243 0.3906 0.065 Uiso calc R 1 . . H
    C6 0.1037(6) 0.0872(5) 0.3795(4) 0.0429(17) Uani d . 1 . . C
    H6 0.1037 0.0868 0.3240 0.051 Uiso calc R 1 . . H
    C7 0.0967(6) 0.0933(5) 0.6334(4) 0.0493(19) Uani d . 1 . . C
    H7 0.0264 0.1064 0.6526 0.059 Uiso calc R 1 . . H
    C8 0.1436(7) 0.0929(5) 0.7755(5) 0.053(2) Uani d . 1 . . C
    C9 0.2104(7) 0.0336(6) 0.8238(5) 0.055(2) Uani d . 1 . . C
    H9A 0.1943 0.0418 0.8799 0.066 Uiso calc R 1 . . H
    H9B 0.1902 -0.0241 0.8095 0.066 Uiso calc R 1 . . H
    C10 0.3880(6) 0.0590(4) 0.8747(4) 0.0383(16) Uani d . 1 . . C
    H10 0.3489 0.0652 0.9217 0.046 Uiso calc R 1 . . H
    C11 0.5081(6) 0.0648(4) 0.8819(4) 0.0373(16) Uani d . 1 . . C
    C12 0.5767(6) 0.0471(4) 0.8162(4) 0.0347(15) Uani d . 1 . . C
    C13 0.6932(6) 0.0486(4) 0.8270(4) 0.0397(16) Uani d . 1 . . C
    C14 0.7403(6) 0.0667(4) 0.9003(4) 0.0408(16) Uani d . 1 . . C
    H14 0.8176 0.0660 0.9070 0.049 Uiso calc R 1 . . H
    C15 0.6737(7) 0.0861(4) 0.9648(4) 0.0450(18) Uani d . 1 . . C
    H15 0.7066 0.1005 1.0138 0.054 Uiso calc R 1 . . H
    C16 0.5604(7) 0.0839(4) 0.9562(4) 0.0392(17) Uani d . 1 . . C
    H16 0.5165 0.0953 1.0002 0.047 Uiso calc R 1 . . H
    C17 0.0202(7) 0.0716(7) 0.7897(5) 0.068(2) Uani d . 1 . . C
    H17A 0.0015 0.0190 0.7636 0.101 Uiso calc R 1 . . H
    H17B -0.0262 0.1161 0.7682 0.101 Uiso calc R 1 . . H
    H17C 0.0083 0.0663 0.8460 0.101 Uiso calc R 1 . . H
    C18 0.1674(6) 0.1836(4) 0.8018(4) 0.0435(17) Uani d . 1 . . C
    H18A 0.1642 0.1872 0.8590 0.065 Uiso calc R 1 . . H
    H18B 0.1126 0.2209 0.7781 0.065 Uiso calc R 1 . . H
    H18C 0.2405 0.1999 0.7850 0.065 Uiso calc R 1 . . H
    O5 0.2924(4) -0.0917(3) 0.6942(3) 0.0348(10) Uani d . 1 . . O
    O6 0.4799(4) -0.0801(2) 0.6059(2) 0.0312(10) Uani d . 1 . . O
    O7 0.5370(4) 0.0923(2) 0.5891(2) 0.0312(10) Uani d . 1 . . O
    O8 0.3865(4) 0.1834(3) 0.6775(2) 0.0349(10) Uani d . 1 . . O
    C19 0.2184(6) -0.2280(4) 0.7210(4) 0.0407(16) Uani d . 1 . . C
    H19A 0.2037 -0.2081 0.7739 0.061 Uiso calc R 1 . . H
    H19B 0.2446 -0.2856 0.7236 0.061 Uiso calc R 1 . . H
    H19C 0.1511 -0.2256 0.6889 0.061 Uiso calc R 1 . . H
    C20 0.3064(5) -0.1727(4) 0.6841(4) 0.0325(14) Uani d . 1 . . C
    C21 0.3931(6) -0.2091(4) 0.6436(4) 0.0367(15) Uani d . 1 . . C
    H21 0.3960 -0.2680 0.6404 0.044 Uiso calc R 1 . . H
    C22 0.4772(5) -0.1621(4) 0.6070(4) 0.0318(14) Uani d . 1 . . C
    C23 0.5725(6) -0.2067(4) 0.5680(4) 0.0335(14) Uani d . 1 . . C
    H23A 0.5928 -0.1762 0.5208 0.050 Uiso calc R 1 . . H
    H23B 0.5502 -0.2633 0.5537 0.050 Uiso calc R 1 . . H
    H23C 0.6353 -0.2090 0.6045 0.050 Uiso calc R 1 . . H
    C24 0.7076(6) 0.1589(4) 0.5568(4) 0.0399(16) Uani d . 1 . . C
    H24A 0.7629 0.1442 0.5968 0.060 Uiso calc R 1 . . H
    H24B 0.7241 0.2140 0.5354 0.060 Uiso calc R 1 . . H
    H24C 0.7083 0.1176 0.5146 0.060 Uiso calc R 1 . . H
    C25 0.5946(6) 0.1604(4) 0.5934(3) 0.0324(14) Uani d . 1 . . C
    C26 0.5579(6) 0.2349(4) 0.6293(4) 0.0372(15) Uani d . 1 . . C
    H26 0.6052 0.2817 0.6279 0.045 Uiso calc R 1 . . H
    C27 0.4567(6) 0.2452(4) 0.6671(4) 0.0341(15) Uani d . 1 . . C
    C28 0.4201(6) 0.3302(4) 0.6949(4) 0.0417(16) Uani d . 1 . . C
    H28A 0.3717 0.3555 0.6550 0.062 Uiso calc R 1 . . H
    H28B 0.4842 0.3658 0.7036 0.062 Uiso calc R 1 . . H
    H28C 0.3806 0.3243 0.7439 0.062 Uiso calc R 1 . . H
    O9 0.0920(6) 0.1019(5) 0.0007(4) 0.082(2) Uani d . 1 . . O
    C29 -0.0117(10) 0.1316(8) 0.0290(7) 0.093(3) Uani d U 1 . . C
    H29A -0.0648 0.0852 0.0311 0.111 Uiso calc R 1 . . H
    H29B -0.0419 0.1749 -0.0066 0.111 Uiso calc R 1 . . H
    C30 0.0080(8) 0.1686(7) 0.1126(6) 0.077(3) Uani d . 1 . . C
    H30A -0.0266 0.1338 0.1530 0.093 Uiso calc R 1 . . H
    H30B -0.0207 0.2260 0.1161 0.093 Uiso calc R 1 . . H
    C31 0.1354(7) 0.1670(6) 0.1215(6) 0.069(3) Uani d . 1 . . C
    H31A 0.1634 0.2200 0.1436 0.083 Uiso calc R 1 . . H
    H31B 0.1599 0.1206 0.1558 0.083 Uiso calc R 1 . . H
    C32 0.1732(8) 0.1548(6) 0.0397(5) 0.069(3) Uani d . 1 . . C
    H32A 0.1785 0.2090 0.0124 0.082 Uiso calc R 1 . . H
    H32B 0.2460 0.1278 0.0399 0.082 Uiso calc 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
    U N1 . 2.666(6) yes
    U N2 . 2.604(5) yes
    U O2 . 2.201(4) yes
    U O3 . 2.241(4) yes
    U O5 . 2.358(4) yes
    U O6 . 2.354(4) yes
    U O7 . 2.388(4) yes
    U O8 . 2.342(4) yes
    O1 C1 . 1.360(8) ?
    O1 H1 . 0.8542 ?
    O2 C2 . 1.328(8) ?
    O2 N1 . 2.852(7) ?
    O2 O3 . 4.342(6) ?
    O3 C12 . 1.326(8) ?
    O3 N2 . 2.744(8) ?
    O4 C13 . 1.373(8) ?
    O4 H4 . 0.9027 ?
    N1 C7 . 1.284(9) ?
    N1 C8 . 1.553(9) ?
    N1 N2 . 2.824(9) ?
    N2 C10 . 1.269(9) ?
    N2 C9 . 1.461(10) ?
    C1 C6 . 1.401(9) ?
    C1 C2 . 1.409(9) ?
    C2 C3 . 1.398(9) ?
    C3 C4 . 1.415(10) ?
    C3 C7 . 1.466(10) ?
    C4 C5 . 1.368(10) ?
    C4 H4A . 0.9300 ?
    C5 C6 . 1.394(10) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.461(11) ?
    C8 C18 . 1.519(10) ?
    C8 C17 . 1.539(11) ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C10 C11 . 1.443(10) ?
    C10 H10 . 0.9300 ?
    C11 C16 . 1.413(9) ?
    C11 C12 . 1.414(9) ?
    C12 C13 . 1.402(10) ?
    C13 C14 . 1.369(9) ?
    C14 C15 . 1.389(10) ?
    C14 H14 . 0.9300 ?
    C15 C16 . 1.363(10) ?
    C15 H15 . 0.9300 ?
    C16 H16 . 0.9300 ?
    C17 H17A . 0.9600 ?
    C17 H17B . 0.9600 ?
    C17 H17C . 0.9600 ?
    C18 H18A . 0.9600 ?
    C18 H18B . 0.9600 ?
    C18 H18C . 0.9600 ?
    O5 C20 . 1.297(8) ?
    O5 O6 . 2.720(6) ?
    O5 O8 . 4.487(6) ?
    O6 C22 . 1.292(7) ?
    O6 O7 . 2.815(6) ?
    O7 C25 . 1.277(8) ?
    O7 O8 . 2.758(6) ?
    O8 C27 . 1.299(8) ?
    C19 C20 . 1.509(9) ?
    C19 H19A . 0.9600 ?
    C19 H19B . 0.9600 ?
    C19 H19C . 0.9600 ?
    C20 C21 . 1.376(9) ?
    C21 C22 . 1.401(9) ?
    C21 H21 . 0.9300 ?
    C22 C23 . 1.501(9) ?
    C23 H23A . 0.9600 ?
    C23 H23B . 0.9600 ?
    C23 H23C . 0.9600 ?
    C24 C25 . 1.498(9) ?
    C24 H24A . 0.9600 ?
    C24 H24B . 0.9600 ?
    C24 H24C . 0.9600 ?
    C25 C26 . 1.394(9) ?
    C26 C27 . 1.389(9) ?
    C26 H26 . 0.9300 ?
    C27 C28 . 1.487(9) ?
    C28 H28A . 0.9600 ?
    C28 H28B . 0.9600 ?
    C28 H28C . 0.9600 ?
    O9 C29 . 1.418(12) ?
    O9 C32 . 1.427(10) ?
    C29 C30 . 1.529(13) ?
    C29 H29A . 0.9700 ?
    C29 H29B . 0.9700 ?
    C30 C31 . 1.530(13) ?
    C30 H30A . 0.9700 ?
    C30 H30B . 0.9700 ?
    C31 C32 . 1.464(12) ?
    C31 H31A . 0.9700 ?
    C31 H31B . 0.9700 ?
    C32 H32A . 0.9700 ?
    C32 H32B . 0.9700 ?
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
    O2 U N1 . . 70.99(17) yes
    N1 U N2 . . 64.78(19) yes
    N2 U O3 . . 68.54(18) yes
    O2 U O3 . . 155.58(16) yes
    O5 U O6 . . 70.51(15) yes
    O6 U O7 . . 72.81(14) yes
    O7 U O8 . . 71.33(14) yes
    O2 U O8 . . 91.82(15) ?
    O3 U O8 . . 88.94(16) ?
    O2 U O6 . . 85.72(15) ?
    O3 U O6 . . 79.50(15) ?
    O8 U O6 . . 144.09(15) ?
    O2 U O5 . . 92.03(16) ?
    O3 U O5 . . 101.10(15) ?
    O8 U O5 . . 145.39(15) ?
    O2 U O7 . . 83.16(15) ?
    O3 U O7 . . 73.97(15) ?
    O5 U O7 . . 143.26(14) ?
    O2 U N2 . . 135.59(18) ?
    O8 U N2 . . 80.37(15) ?
    O6 U N2 . . 124.77(16) ?
    O5 U N2 . . 72.99(16) ?
    O7 U N2 . . 132.90(16) ?
    O3 U N1 . . 132.30(17) ?
    O8 U N1 . . 74.46(18) ?
    O6 U N1 . . 136.78(18) ?
    O5 U N1 . . 74.40(17) ?
    O7 U N1 . . 135.97(16) ?
    C1 O1 H1 . . 112.4 ?
    C2 O2 U . . 146.8(4) ?
    C12 O3 U . . 145.5(4) ?
    C13 O4 H4 . . 107.6 ?
    C7 N1 C8 . . 117.7(6) ?
    C7 N1 U . . 127.4(5) ?
    C8 N1 U . . 114.9(4) ?
    C10 N2 C9 . . 115.3(6) ?
    C10 N2 U . . 131.4(5) ?
    C9 N2 U . . 113.3(4) ?
    O1 C1 C6 . . 118.6(6) ?
    O1 C1 C2 . . 120.8(6) ?
    C6 C1 C2 . . 120.6(6) ?
    O2 C2 C3 . . 122.6(6) ?
    O2 C2 C1 . . 118.8(6) ?
    C3 C2 C1 . . 118.5(6) ?
    C2 C3 C4 . . 119.9(6) ?
    C2 C3 C7 . . 123.6(6) ?
    C4 C3 C7 . . 116.5(6) ?
    C5 C4 C3 . . 121.2(7) ?
    C5 C4 H4A . . 119.4 ?
    C3 C4 H4A . . 119.4 ?
    C4 C5 C6 . . 119.5(7) ?
    C4 C5 H5 . . 120.2 ?
    C6 C5 H5 . . 120.2 ?
    C5 C6 C1 . . 120.3(6) ?
    C5 C6 H6 . . 119.9 ?
    C1 C6 H6 . . 119.9 ?
    N1 C7 C3 . . 128.1(7) ?
    N1 C7 H7 . . 115.9 ?
    C3 C7 H7 . . 115.9 ?
    C9 C8 C18 . . 110.1(7) ?
    C9 C8 C17 . . 106.9(7) ?
    C18 C8 C17 . . 109.6(7) ?
    C9 C8 N1 . . 107.9(6) ?
    C18 C8 N1 . . 111.3(6) ?
    C17 C8 N1 . . 111.0(7) ?
    N2 C9 C8 . . 111.1(6) ?
    N2 C9 H9A . . 109.4 ?
    C8 C9 H9A . . 109.4 ?
    N2 C9 H9B . . 109.4 ?
    C8 C9 H9B . . 109.4 ?
    H9A C9 H9B . . 108.0 ?
    N2 C10 C11 . . 127.5(6) ?
    N2 C10 H10 . . 116.2 ?
    C11 C10 H10 . . 116.2 ?
    C16 C11 C12 . . 118.2(7) ?
    C16 C11 C10 . . 120.6(6) ?
    C12 C11 C10 . . 121.2(6) ?
    O3 C12 C13 . . 118.2(6) ?
    O3 C12 C11 . . 122.4(7) ?
    C13 C12 C11 . . 119.4(6) ?
    C14 C13 O4 . . 119.4(7) ?
    C14 C13 C12 . . 120.5(7) ?
    O4 C13 C12 . . 120.0(6) ?
    C13 C14 C15 . . 120.6(7) ?
    C13 C14 H14 . . 119.7 ?
    C15 C14 H14 . . 119.7 ?
    C16 C15 C14 . . 120.0(6) ?
    C16 C15 H15 . . 120.0 ?
    C14 C15 H15 . . 120.0 ?
    C15 C16 C11 . . 121.3(7) ?
    C15 C16 H16 . . 119.4 ?
    C11 C16 H16 . . 119.4 ?
    C8 C17 H17A . . 109.5 ?
    C8 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    C8 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    C8 C18 H18A . . 109.5 ?
    C8 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    C8 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    C20 O5 U . . 138.0(4) ?
    C22 O6 U . . 139.0(4) ?
    C25 O7 U . . 134.6(4) ?
    C27 O8 U . . 137.1(4) ?
    C20 C19 H19A . . 109.5 ?
    C20 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    C20 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    O5 C20 C21 . . 125.0(6) ?
    O5 C20 C19 . . 114.9(6) ?
    C21 C20 C19 . . 120.1(6) ?
    C20 C21 C22 . . 123.5(6) ?
    C20 C21 H21 . . 118.3 ?
    C22 C21 H21 . . 118.3 ?
    O6 C22 C21 . . 123.5(6) ?
    O6 C22 C23 . . 116.2(6) ?
    C21 C22 C23 . . 120.2(6) ?
    C22 C23 H23A . . 109.5 ?
    C22 C23 H23B . . 109.5 ?
    H23A C23 H23B . . 109.5 ?
    C22 C23 H23C . . 109.5 ?
    H23A C23 H23C . . 109.5 ?
    H23B C23 H23C . . 109.5 ?
    C25 C24 H24A . . 109.5 ?
    C25 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C25 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    O7 C25 C26 . . 123.9(6) ?
    O7 C25 C24 . . 117.1(6) ?
    C26 C25 C24 . . 119.0(6) ?
    C27 C26 C25 . . 125.5(6) ?
    C27 C26 H26 . . 117.3 ?
    C25 C26 H26 . . 117.3 ?
    O8 C27 C26 . . 123.2(6) ?
    O8 C27 C28 . . 115.9(6) ?
    C26 C27 C28 . . 120.9(6) ?
    C27 C28 H28A . . 109.5 ?
    C27 C28 H28B . . 109.5 ?
    H28A C28 H28B . . 109.5 ?
    C27 C28 H28C . . 109.5 ?
    H28A C28 H28C . . 109.5 ?
    H28B C28 H28C . . 109.5 ?
    C29 O9 C32 . . 104.4(7) ?
    O9 C29 C30 . . 108.2(8) ?
    O9 C29 H29A . . 110.1 ?
    C30 C29 H29A . . 110.1 ?
    O9 C29 H29B . . 110.1 ?
    C30 C29 H29B . . 110.1 ?
    H29A C29 H29B . . 108.4 ?
    C29 C30 C31 . . 102.5(8) ?
    C29 C30 H30A . . 111.3 ?
    C31 C30 H30A . . 111.3 ?
    C29 C30 H30B . . 111.3 ?
    C31 C30 H30B . . 111.3 ?
    H30A C30 H30B . . 109.2 ?
    C32 C31 C30 . . 103.8(8) ?
    C32 C31 H31A . . 111.0 ?
    C30 C31 H31A . . 111.0 ?
    C32 C31 H31B . . 111.0 ?
    C30 C31 H31B . . 111.0 ?
    H31A C31 H31B . . 109.0 ?
    O9 C32 C31 . . 106.4(8) ?
    O9 C32 H32A . . 110.4 ?
    C31 C32 H32A . . 110.4 ?
    O9 C32 H32B . . 110.4 ?
    C31 C32 H32B . . 110.4 ?
    H32A C32 H32B . . 108.6 ?
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
    O1 H1 O2 . 0.85 2.34 2.746(6) 109.6
    O4 H4 O1 3_656 0.90 1.94 2.747(6) 148.0
    O4 H4 O3 . 0.90 2.25 2.716(7) 112.0
    O1 H1 O6 3_656 0.85 2.27 2.806(6) 121.1
    O1 H1 O7 3_656 0.85 2.33 2.953(6) 129.8
data_global
_journal_date_recd_electronic     2003-03-28
_journal_date_accepted     2003-04-14
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2003
_journal_volume     59
_journal_issue      6
_journal_page_first     m246
_journal_page_last     m248
_journal_paper_category     FM
_publ_contact_author_name     'Pierre Thuéry'
_publ_contact_author_address
;
CEA/Saclay, DSM/DRECAM/SCM (CNRS URA 331)
Bâtiment 125
91191 Gif-sur-Yvette
France
;
_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
;
A bis(acetylacetonato)uranium(IV) complex of the Schiff base
N,N'-bis(3-hydroxysalicylidene)-2-methyl-1,2-propanediamine
;
loop_
    _publ_author_name
    _publ_author_address
    'Salmon, Lionel'
; CEA/Saclay, DSM/DRECAM/SCM (CNRS URA 331)
Bâtiment 125
91191 Gif-sur-Yvette
France
;
    'Thuéry, Pierre'
; CEA/Saclay, DSM/DRECAM/SCM (CNRS URA 331)
Bâtiment 125
91191 Gif-sur-Yvette
France
;
    'Ephritikhine, Michel'
; CEA/Saclay, DSM/DRECAM/SCM (CNRS URA 331)
Bâtiment 125
91191 Gif-sur-Yvette
France
;
