#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:17:06 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179569 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/35/4503503.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4503503
loop_
_publ_author_name
'Takao, Koichiro'
'Noda, Kyoko'
'Morita, Yasuji'
'Nishimura, Kenji'
'Ikeda, Yasuhisa'
_publ_section_title
;
 Molecular and Crystal Structures of Uranyl Nitrate Complexes
 withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of
 Promising Precipitant for Uranyl Ion
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2364
_journal_paper_doi               10.1021/cg7012254
_journal_volume                  8
_journal_year                    2008
_chemical_formula_moiety         'C14 H26 N4 O10 U '
_chemical_formula_sum            'C14 H26 N4 O10 U'
_chemical_formula_weight         648.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.64(3)
_cell_angle_beta                 83.90(3)
_cell_angle_gamma                77.43(3)
_cell_formula_units_Z            2
_cell_length_a                   6.934(2)
_cell_length_b                   9.000(3)
_cell_length_c                   17.630(8)
_cell_measurement_reflns_used    10174
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     1067.6(7)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10341
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    7.659
_exptl_absorpt_correction_T_max  0.2072
_exptl_absorpt_correction_T_min  0.1202
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.017
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.30
_refine_diff_density_max         3.177
_refine_diff_density_min         -2.073
_refine_diff_density_rms         0.193
_refine_ls_extinction_coef       0.0052(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         4872
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0430
_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/[σ²(Fo²)+(0.0590P)²+6.8036P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1107
_refine_ls_wR_factor_ref         0.1194
_reflns_number_gt                3572
_reflns_number_total             4872
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg7012254-file005.cif
_cod_data_source_block           UO2(NO3)2(L3a)2_(R=nPro)_173K
_cod_original_cell_volume        1067.5(7)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_database_code               4503503
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
U1 U 1.0000 0.0000 0.0000 0.02534(14) Uani 1 2 d S
U2 U 0.0000 0.5000 0.5000 0.02529(14) Uani 1 2 d S
O1 O 1.1697(8) 0.1016(6) 0.0289(3) 0.0331(11) Uani 1 1 d .
O2 O 0.8533(8) 0.2220(6) -0.0654(3) 0.0336(12) Uani 1 1 d .
O3 O 0.7113(8) 0.1721(6) 0.0746(3) 0.0371(13) Uani 1 1 d .
O4 O 0.8603(9) -0.0123(6) 0.1381(3) 0.0373(12) Uani 1 1 d .
O5 O 0.5988(10) 0.1452(8) 0.1923(4) 0.0551(17) Uani 1 1 d .
O6 O 0.1829(8) 0.6003(6) 0.4661(3) 0.0341(12) Uani 1 1 d .
O7 O 0.1788(8) 0.2721(6) 0.4336(3) 0.0361(12) Uani 1 1 d .
O8 O -0.0798(9) 0.4735(7) 0.3653(3) 0.0407(13) Uani 1 1 d .
O9 O -0.2588(9) 0.6656(7) 0.4280(3) 0.0394(13) Uani 1 1 d .
O10 O -0.3105(11) 0.6259(8) 0.3116(4) 0.0563(18) Uani 1 1 d .
N1 N 0.6215(9) 0.4152(7) -0.1055(4) 0.0302(13) Uani 1 1 d .
N2 N 0.7187(10) 0.1048(8) 0.1378(4) 0.0361(14) Uani 1 1 d .
N3 N 0.4305(9) 0.0722(7) 0.3963(3) 0.0294(13) Uani 1 1 d .
N4 N -0.2181(10) 0.5899(8) 0.3661(4) 0.0341(14) Uani 1 1 d .
C1 C 0.6829(11) 0.2737(8) -0.0867(4) 0.0271(14) Uani 1 1 d .
C2 C 0.5277(11) 0.1854(9) -0.0944(5) 0.0344(16) Uani 1 1 d .
H2A H 0.4838 0.1461 -0.0444 0.041 Uiso 1 1 calc R
H2B H 0.5783 0.0986 -0.1305 0.041 Uiso 1 1 calc R
C3 C 0.3572(14) 0.3000(11) -0.1248(6) 0.049(2) Uani 1 1 d .
H3A H 0.2334 0.3089 -0.0899 0.059 Uiso 1 1 calc R
H3B H 0.3334 0.2673 -0.1758 0.059 Uiso 1 1 calc R
C4 C 0.4203(13) 0.4500(10) -0.1294(6) 0.043(2) Uani 1 1 d .
H4A H 0.4215 0.4886 -0.1821 0.052 Uiso 1 1 calc R
H4B H 0.3299 0.5270 -0.0948 0.052 Uiso 1 1 calc R
C5 C 0.7408(12) 0.5330(8) -0.1069(4) 0.0312(16) Uani 1 1 d .
H5A H 0.8447 0.5039 -0.0719 0.037 Uiso 1 1 calc R
H5B H 0.6537 0.6308 -0.0882 0.037 Uiso 1 1 calc R
C6 C 0.8397(13) 0.5549(9) -0.1865(5) 0.0389(18) Uani 1 1 d .
H6A H 0.9373 0.4603 -0.2033 0.047 Uiso 1 1 calc R
H6B H 0.7377 0.5743 -0.2228 0.047 Uiso 1 1 calc R
C7 C 0.9440(14) 0.6859(10) -0.1880(5) 0.0425(19) Uani 1 1 d .
H7A H 0.8464 0.7807 -0.1743 0.064 Uiso 1 1 calc R
H7B H 1.0102 0.6941 -0.2393 0.064 Uiso 1 1 calc R
H7C H 1.0430 0.6681 -0.1513 0.064 Uiso 1 1 calc R
C8 C 0.3597(11) 0.2171(8) 0.4139(4) 0.0281(14) Uani 1 1 d .
C9 C 0.5267(12) 0.3020(10) 0.4083(5) 0.0400(18) Uani 1 1 d .
H9A H 0.5397 0.3448 0.4586 0.048 Uiso 1 1 calc R
H9B H 0.5034 0.3859 0.3715 0.048 Uiso 1 1 calc R
C10 C 0.7102(13) 0.1824(10) 0.3809(7) 0.052(2) Uani 1 1 d .
H10A H 0.7685 0.2094 0.3303 0.063 Uiso 1 1 calc R
H10B H 0.8113 0.1746 0.4172 0.063 Uiso 1 1 calc R
C11 C 0.6459(12) 0.0327(9) 0.3755(5) 0.0374(18) Uani 1 1 d .
H11A H 0.6785 -0.0107 0.3231 0.045 Uiso 1 1 calc R
H11B H 0.7116 -0.0419 0.4114 0.045 Uiso 1 1 calc R
C12 C 0.3068(12) -0.0392(9) 0.3909(4) 0.0322(16) Uani 1 1 d .
H12A H 0.1817 -0.0071 0.4251 0.039 Uiso 1 1 calc R
H12B H 0.3776 -0.1394 0.4079 0.039 Uiso 1 1 calc R
C13 C 0.2586(14) -0.0541(10) 0.3099(5) 0.0418(19) Uani 1 1 d .
H13A H 0.3832 -0.0726 0.2749 0.050 Uiso 1 1 calc R
H13B H 0.1730 0.0426 0.2952 0.050 Uiso 1 1 calc R
C14 C 0.1518(13) -0.1849(10) 0.3011(5) 0.0418(19) Uani 1 1 d .
H14A H 0.2418 -0.2821 0.3099 0.063 Uiso 1 1 calc R
H14B H 0.1119 -0.1851 0.2494 0.063 Uiso 1 1 calc R
H14C H 0.0336 -0.1708 0.3383 0.063 Uiso 1 1 calc R
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 U1 O1 180.0 2_755 .
O1 U1 O2 92.1(2) 2_755 .
O1 U1 O2 87.9(2) . .
O1 U1 O2 87.9(2) 2_755 2_755
O1 U1 O2 92.1(2) . 2_755
O2 U1 O2 180.0 . 2_755
O1 U1 O3 92.6(2) 2_755 2_755
O1 U1 O3 87.4(2) . 2_755
O2 U1 O3 114.87(18) . 2_755
O2 U1 O3 65.13(18) 2_755 2_755
O1 U1 O3 87.4(2) 2_755 .
O1 U1 O3 92.6(2) . .
O2 U1 O3 65.13(18) . .
O2 U1 O3 114.87(18) 2_755 .
O3 U1 O3 180.0 2_755 .
O1 U1 O4 90.6(2) 2_755 .
O1 U1 O4 89.4(2) . .
O2 U1 O4 114.97(18) . .
O2 U1 O4 65.03(18) 2_755 .
O3 U1 O4 129.88(18) 2_755 .
O3 U1 O4 50.12(18) . .
O1 U1 O4 89.4(2) 2_755 2_755
O1 U1 O4 90.6(2) . 2_755
O2 U1 O4 65.03(18) . 2_755
O2 U1 O4 114.97(18) 2_755 2_755
O3 U1 O4 50.12(18) 2_755 2_755
O3 U1 O4 129.88(18) . 2_755
O4 U1 O4 180.0 . 2_755
O1 U1 N2 91.4(2) 2_755 2_755
O1 U1 N2 88.6(2) . 2_755
O2 U1 N2 90.09(19) . 2_755
O2 U1 N2 89.91(19) 2_755 2_755
O3 U1 N2 24.90(17) 2_755 2_755
O3 U1 N2 155.10(17) . 2_755
O4 U1 N2 154.77(18) . 2_755
O4 U1 N2 25.23(18) 2_755 2_755
O1 U1 N2 88.6(2) 2_755 .
O1 U1 N2 91.4(2) . .
O2 U1 N2 89.91(19) . .
O2 U1 N2 90.09(19) 2_755 .
O3 U1 N2 155.10(17) 2_755 .
O3 U1 N2 24.89(17) . .
O4 U1 N2 25.23(18) . .
O4 U1 N2 154.77(18) 2_755 .
N2 U1 N2 180.0 2_755 .
O6 U2 O6 179.999(1) . 2_566
O6 U2 O7 88.1(2) . 2_566
O6 U2 O7 91.9(2) 2_566 2_566
O6 U2 O7 91.9(2) . .
O6 U2 O7 88.1(2) 2_566 .
O7 U2 O7 180.00(18) 2_566 .
O6 U2 O8 90.4(2) . 2_566
O6 U2 O8 89.6(2) 2_566 2_566
O7 U2 O8 64.94(19) 2_566 2_566
O7 U2 O8 115.06(19) . 2_566
O6 U2 O8 89.6(2) . .
O6 U2 O8 90.4(2) 2_566 .
O7 U2 O8 115.06(19) 2_566 .
O7 U2 O8 64.94(19) . .
O8 U2 O8 180.000(1) 2_566 .
O6 U2 O9 87.6(2) . 2_566
O6 U2 O9 92.4(2) 2_566 2_566
O7 U2 O9 114.82(19) 2_566 2_566
O7 U2 O9 65.18(19) . 2_566
O8 U2 O9 50.10(19) 2_566 2_566
O8 U2 O9 129.90(19) . 2_566
O6 U2 O9 92.4(2) . .
O6 U2 O9 87.6(2) 2_566 .
O7 U2 O9 65.18(19) 2_566 .
O7 U2 O9 114.82(19) . .
O8 U2 O9 129.90(19) 2_566 .
O8 U2 O9 50.10(19) . .
O9 U2 O9 179.999(1) 2_566 .
O6 U2 N4 89.0(2) . 2_566
O6 U2 N4 91.0(2) 2_566 2_566
O7 U2 N4 89.80(19) 2_566 2_566
O7 U2 N4 90.21(19) . 2_566
O8 U2 N4 24.96(19) 2_566 2_566
O8 U2 N4 155.04(19) . 2_566
O9 U2 N4 25.14(18) 2_566 2_566
O9 U2 N4 154.86(18) . 2_566
O6 U2 N4 91.0(2) . .
O6 U2 N4 89.0(2) 2_566 .
O7 U2 N4 90.20(19) 2_566 .
O7 U2 N4 89.79(19) . .
O8 U2 N4 155.04(19) 2_566 .
O8 U2 N4 24.96(19) . .
O9 U2 N4 154.86(18) 2_566 .
O9 U2 N4 25.14(18) . .
N4 U2 N4 180.000(1) 2_566 .
C1 O2 U1 134.7(5) . .
N2 O3 U1 98.7(4) . .
N2 O4 U1 96.8(4) . .
C8 O7 U2 134.0(5) . .
N4 O8 U2 97.2(4) . .
N4 O9 U2 97.0(4) . .
C1 N1 C4 114.1(6) . .
C1 N1 C5 125.0(6) . .
C4 N1 C5 120.8(6) . .
O5 N2 O3 122.9(7) . .
O5 N2 O4 122.8(7) . .
O3 N2 O4 114.3(6) . .
O5 N2 U1 177.3(6) . .
O3 N2 U1 56.4(4) . .
O4 N2 U1 57.9(4) . .
C8 N3 C11 114.0(6) . .
C8 N3 C12 124.0(6) . .
C11 N3 C12 121.8(6) . .
O10 N4 O8 122.4(7) . .
O10 N4 O9 121.9(7) . .
O8 N4 O9 115.7(6) . .
O10 N4 U2 178.9(6) . .
O8 N4 U2 57.8(4) . .
O9 N4 U2 57.9(3) . .
O2 C1 N1 123.2(7) . .
O2 C1 C2 126.0(7) . .
N1 C1 C2 110.8(6) . .
C1 C2 C3 104.4(6) . .
C1 C2 H2A 110.9 . .
C3 C2 H2A 110.9 . .
C1 C2 H2B 110.9 . .
C3 C2 H2B 110.9 . .
H2A C2 H2B 108.9 . .
C2 C3 C4 106.4(7) . .
C2 C3 H3A 110.5 . .
C4 C3 H3A 110.5 . .
C2 C3 H3B 110.5 . .
C4 C3 H3B 110.5 . .
H3A C3 H3B 108.6 . .
N1 C4 C3 104.2(6) . .
N1 C4 H4A 110.9 . .
C3 C4 H4A 110.9 . .
N1 C4 H4B 110.9 . .
C3 C4 H4B 110.9 . .
H4A C4 H4B 108.9 . .
N1 C5 C6 112.7(6) . .
N1 C5 H5A 109.1 . .
C6 C5 H5A 109.1 . .
N1 C5 H5B 109.1 . .
C6 C5 H5B 109.1 . .
H5A C5 H5B 107.8 . .
C7 C6 C5 111.7(7) . .
C7 C6 H6A 109.3 . .
C5 C6 H6A 109.3 . .
C7 C6 H6B 109.3 . .
C5 C6 H6B 109.3 . .
H6A C6 H6B 107.9 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
O7 C8 N3 123.1(7) . .
O7 C8 C9 126.6(7) . .
N3 C8 C9 110.2(6) . .
C8 C9 C10 104.2(7) . .
C8 C9 H9A 110.9 . .
C10 C9 H9A 110.9 . .
C8 C9 H9B 110.9 . .
C10 C9 H9B 110.9 . .
H9A C9 H9B 108.9 . .
C11 C10 C9 107.1(7) . .
C11 C10 H10A 110.3 . .
C9 C10 H10A 110.3 . .
C11 C10 H10B 110.3 . .
C9 C10 H10B 110.3 . .
H10A C10 H10B 108.5 . .
N3 C11 C10 104.4(6) . .
N3 C11 H11A 110.9 . .
C10 C11 H11A 110.9 . .
N3 C11 H11B 110.9 . .
C10 C11 H11B 110.9 . .
H11A C11 H11B 108.9 . .
N3 C12 C13 111.1(6) . .
N3 C12 H12A 109.4 . .
C13 C12 H12A 109.4 . .
N3 C12 H12B 109.4 . .
C13 C12 H12B 109.4 . .
H12A C12 H12B 108.0 . .
C12 C13 C14 111.7(7) . .
C12 C13 H13A 109.3 . .
C14 C13 H13A 109.3 . .
C12 C13 H13B 109.3 . .
C14 C13 H13B 109.3 . .
H13A C13 H13B 107.9 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O1 1.755(6) 2_755
U1 O1 1.755(6) .
U1 O2 2.385(5) .
U1 O2 2.385(5) 2_755
U1 O3 2.501(6) 2_755
U1 O3 2.501(6) .
U1 O4 2.535(6) .
U1 O4 2.535(6) 2_755
U1 N2 2.969(7) 2_755
U1 N2 2.969(7) .
U2 O6 1.764(6) .
U2 O6 1.764(6) 2_566
U2 O7 2.394(5) 2_566
U2 O7 2.394(5) .
U2 O8 2.519(6) 2_566
U2 O8 2.519(6) .
U2 O9 2.519(5) 2_566
U2 O9 2.519(5) .
U2 N4 2.953(6) 2_566
U2 N4 2.953(6) .
O2 C1 1.267(9) .
O3 N2 1.265(8) .
O4 N2 1.275(8) .
O5 N2 1.204(9) .
O7 C8 1.256(9) .
O8 N4 1.256(9) .
O9 N4 1.264(8) .
O10 N4 1.215(8) .
N1 C1 1.304(9) .
N1 C4 1.468(10) .
N1 C5 1.478(10) .
N3 C8 1.316(9) .
N3 C11 1.465(10) .
N3 C12 1.463(10) .
C1 C2 1.487(10) .
C2 C3 1.532(11) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.506(12) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.526(11) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.510(11) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C9 1.515(11) .
C9 C10 1.514(11) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.515(12) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.514(11) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.538(12) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
O1 U1 O2 C1 24.4(7) 2_755
O1 U1 O2 C1 -155.6(7) .
O2 U1 O2 C1 -99(5) 2_755
O3 U1 O2 C1 118.3(7) 2_755
O3 U1 O2 C1 -61.7(7) .
O4 U1 O2 C1 -67.2(7) .
O4 U1 O2 C1 112.8(7) 2_755
N2 U1 O2 C1 115.8(7) 2_755
N2 U1 O2 C1 -64.2(7) .
O1 U1 O3 N2 92.4(5) 2_755
O1 U1 O3 N2 -87.6(5) .
O2 U1 O3 N2 -174.1(5) .
O2 U1 O3 N2 5.9(5) 2_755
O3 U1 O3 N2 -21(17) 2_755
O4 U1 O3 N2 -0.6(4) .
O4 U1 O3 N2 179.4(4) 2_755
N2 U1 O3 N2 180.000(1) 2_755
O1 U1 O4 N2 -85.5(5) 2_755
O1 U1 O4 N2 94.5(5) .
O2 U1 O4 N2 7.0(5) .
O2 U1 O4 N2 -173.0(5) 2_755
O3 U1 O4 N2 -179.4(4) 2_755
O3 U1 O4 N2 0.6(4) .
O4 U1 O4 N2 18(11) 2_755
N2 U1 O4 N2 180.000(2) 2_755
O6 U2 O7 C8 29.5(7) .
O6 U2 O7 C8 -150.5(7) 2_566
O7 U2 O7 C8 161(32) 2_566
O8 U2 O7 C8 -61.8(7) 2_566
O8 U2 O7 C8 118.2(7) .
O9 U2 O7 C8 -57.0(7) 2_566
O9 U2 O7 C8 123.0(7) .
N4 U2 O7 C8 -59.5(7) 2_566
N4 U2 O7 C8 120.5(7) .
O6 U2 O8 N4 -93.2(5) .
O6 U2 O8 N4 86.8(5) 2_566
O7 U2 O8 N4 -5.4(5) 2_566
O7 U2 O8 N4 174.6(5) .
O8 U2 O8 N4 -94(47) 2_566
O9 U2 O8 N4 -179.8(4) 2_566
O9 U2 O8 N4 0.2(4) .
N4 U2 O8 N4 180.001(3) 2_566
O6 U2 O9 N4 87.3(5) .
O6 U2 O9 N4 -92.7(5) 2_566
O7 U2 O9 N4 174.1(5) 2_566
O7 U2 O9 N4 -5.9(5) .
O8 U2 O9 N4 179.8(4) 2_566
O8 U2 O9 N4 -0.2(4) .
O9 U2 O9 N4 -102(16) 2_566
N4 U2 O9 N4 179.999(2) 2_566
U1 O3 N2 O5 -176.9(7) .
U1 O3 N2 O4 1.0(7) .
U1 O4 N2 O5 177.0(7) .
U1 O4 N2 O3 -0.9(7) .
O1 U1 N2 O5 -13(12) 2_755
O1 U1 N2 O5 167(12) .
O2 U1 N2 O5 79(12) .
O2 U1 N2 O5 -101(12) 2_755
O3 U1 N2 O5 -106(12) 2_755
O3 U1 N2 O5 74(12) .
O4 U1 N2 O5 -107(12) .
O4 U1 N2 O5 73(12) 2_755
N2 U1 N2 O5 75(17) 2_755
O1 U1 N2 O3 -86.7(5) 2_755
O1 U1 N2 O3 93.3(5) .
O2 U1 N2 O3 5.3(5) .
O2 U1 N2 O3 -174.7(5) 2_755
O3 U1 N2 O3 180.000(2) 2_755
O4 U1 N2 O3 179.0(7) .
O4 U1 N2 O3 -1.0(7) 2_755
N2 U1 N2 O3 1(10) 2_755
O1 U1 N2 O4 94.3(5) 2_755
O1 U1 N2 O4 -85.7(5) .
O2 U1 N2 O4 -173.6(4) .
O2 U1 N2 O4 6.4(4) 2_755
O3 U1 N2 O4 1.0(7) 2_755
O3 U1 N2 O4 -179.0(7) .
O4 U1 N2 O4 180.001(1) 2_755
N2 U1 N2 O4 -178(10) 2_755
U2 O8 N4 O10 -178.8(7) .
U2 O8 N4 O9 -0.4(7) .
U2 O9 N4 O10 178.8(7) .
U2 O9 N4 O8 0.4(7) .
O6 U2 N4 O10 -170(34) .
O6 U2 N4 O10 10(34) 2_566
O7 U2 N4 O10 -81(34) 2_566
O7 U2 N4 O10 99(34) .
O8 U2 N4 O10 -77(34) 2_566
O8 U2 N4 O10 103(34) .
O9 U2 N4 O10 104(34) 2_566
O9 U2 N4 O10 -76(34) .
N4 U2 N4 O10 -180(100) 2_566
O6 U2 N4 O8 86.9(5) .
O6 U2 N4 O8 -93.1(5) 2_566
O7 U2 N4 O8 175.1(5) 2_566
O7 U2 N4 O8 -4.9(5) .
O8 U2 N4 O8 179.999(3) 2_566
O9 U2 N4 O8 0.4(7) 2_566
O9 U2 N4 O8 -179.6(7) .
N4 U2 N4 O8 77(20) 2_566
O6 U2 N4 O9 -93.5(5) .
O6 U2 N4 O9 86.5(5) 2_566
O7 U2 N4 O9 -5.3(5) 2_566
O7 U2 N4 O9 174.7(5) .
O8 U2 N4 O9 -0.4(7) 2_566
O8 U2 N4 O9 179.6(7) .
O9 U2 N4 O9 179.997(4) 2_566
N4 U2 N4 O9 -104(20) 2_566
U1 O2 C1 N1 162.9(5) .
U1 O2 C1 C2 -17.6(11) .
C4 N1 C1 O2 179.2(7) .
C5 N1 C1 O2 1.8(11) .
C4 N1 C1 C2 -0.4(9) .
C5 N1 C1 C2 -177.8(7) .
O2 C1 C2 C3 -177.7(8) .
N1 C1 C2 C3 1.9(9) .
C1 C2 C3 C4 -2.6(10) .
C1 N1 C4 C3 -1.3(10) .
C5 N1 C4 C3 176.2(7) .
C2 C3 C4 N1 2.4(10) .
C1 N1 C5 C6 97.0(8) .
C4 N1 C5 C6 -80.2(9) .
N1 C5 C6 C7 174.4(7) .
U2 O7 C8 N3 160.7(5) .
U2 O7 C8 C9 -17.8(12) .
C11 N3 C8 O7 -179.5(7) .
C12 N3 C8 O7 5.7(11) .
C11 N3 C8 C9 -0.8(9) .
C12 N3 C8 C9 -175.5(7) .
O7 C8 C9 C10 -179.0(8) .
N3 C8 C9 C10 2.3(10) .
C8 C9 C10 C11 -2.9(11) .
C8 N3 C11 C10 -1.1(10) .
C12 N3 C11 C10 173.8(7) .
C9 C10 C11 N3 2.5(10) .
C8 N3 C12 C13 93.0(9) .
C11 N3 C12 C13 -81.4(9) .
N3 C12 C13 C14 172.7(7) .
