#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:50:11 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178965 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/94/4119441.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_4119441
loop_
_publ_author_name
'Polly L. Arnold'
'Emmalina Hollis'
'Gary S. Nichol'
'Jason B. Love'
'Jean-Christophe Griveau'
'Roberto Caciuffo'
'Nicola Magnani'
'Laurent Maron'
'Ludovic Castro'
'Ahmed Yahia'
'Samuel O. Odoh'
'Georg Schreckenbach'
_publ_section_title
;
 Oxo-Functionalization and Reduction of the Uranyl Ion through
 Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding
 Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn
 Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3841
_journal_page_last               3854
_journal_paper_doi               10.1021/ja308993g
_journal_volume                  135
_journal_year                    2013
_chemical_formula_moiety         'C109 H105 Ce2 N21 O4 U2'
_chemical_formula_sum            'C109 H105 Ce2 N21 O4 U2'
_chemical_formula_weight         2529.44
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.585(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.5830(4)
_cell_length_b                   27.5120(5)
_cell_length_c                   23.2171(6)
_cell_measurement_reflns_used    19604
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.1552
_cell_measurement_theta_min      2.8644
_cell_volume                     10040.0(4)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_molecular_graphics    'ORTEP (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1042
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_av_sigmaI/netI    0.1340
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            67855
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    4.170
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_description       plate
_exptl_crystal_F_000             4952
_exptl_crystal_size_max          0.155
_exptl_crystal_size_mid          0.129
_exptl_crystal_size_min          0.041
_refine_diff_density_max         4.763
_refine_diff_density_min         -1.086
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1236
_refine_ls_number_reflns         22268
_refine_ls_number_restraints     148
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.1004
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0598P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1224
_refine_ls_wR_factor_ref         0.1289
_reflns_number_gt                13242
_reflns_number_total             22268
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ja308993g_si_004.cif
_cod_data_source_block           p10089
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4119441
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'
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
C1 C 0.2179(5) 0.9989(3) 0.9378(4) 0.029(2) Uani 1 1 d .
H1 H 0.2728 0.9868 0.9409 0.035 Uiso 1 1 calc R
C2 C 0.1822(5) 1.0374(3) 0.8965(4) 0.030(2) Uani 1 1 d .
C3 C 0.2146(6) 1.0632(3) 0.8584(5) 0.037(2) Uani 1 1 d .
H3 H 0.2706 1.0608 0.8560 0.044 Uiso 1 1 calc R
C4 C 0.1512(6) 1.0930(3) 0.8241(4) 0.036(2) Uani 1 1 d .
H4 H 0.1546 1.1150 0.7934 0.043 Uiso 1 1 calc R
C5 C 0.0799(6) 1.0847(3) 0.8435(4) 0.032(2) Uani 1 1 d .
C6 C -0.0073(5) 1.1084(3) 0.8209(4) 0.032(2) Uani 1 1 d .
C7 C -0.0121(6) 1.1448(4) 0.7698(5) 0.048(3) Uani 1 1 d .
H7A H 0.0276 1.1716 0.7859 0.072 Uiso 1 1 calc R
H7B H -0.0701 1.1576 0.7536 0.072 Uiso 1 1 calc R
H7C H 0.0032 1.1284 0.7372 0.072 Uiso 1 1 calc R
C8 C -0.0248(6) 1.1352(3) 0.8738(4) 0.035(2) Uani 1 1 d .
H8A H -0.0228 1.1120 0.9062 0.053 Uiso 1 1 calc R
H8B H -0.0812 1.1503 0.8594 0.053 Uiso 1 1 calc R
H8C H 0.0185 1.1603 0.8895 0.053 Uiso 1 1 calc R
C9 C -0.0737(6) 1.0673(3) 0.7971(4) 0.032(2) Uani 1 1 d .
C10 C -0.1292(5) 1.0603(4) 0.7387(4) 0.036(2) Uani 1 1 d .
H10 H -0.1358 1.0806 0.7044 0.043 Uiso 1 1 calc R
C11 C -0.1728(6) 1.0179(4) 0.7405(4) 0.036(2) Uani 1 1 d .
H11 H -0.2156 1.0036 0.7073 0.043 Uiso 1 1 calc R
C12 C -0.1430(5) 1.0000(3) 0.7995(4) 0.027(2) Uani 1 1 d .
C13 C -0.1647(5) 0.9570(3) 0.8243(4) 0.030(2) Uani 1 1 d .
H13 H -0.2062 0.9357 0.7991 0.036 Uiso 1 1 calc R
C14 C -0.1443(5) 0.8979(3) 0.8990(4) 0.029(2) Uani 1 1 d .
C15 C -0.1689(5) 0.8922(3) 0.9522(4) 0.032(2) Uani 1 1 d .
H15 H -0.1733 0.9200 0.9752 0.038 Uiso 1 1 calc R
C16 C -0.1865(6) 0.8467(4) 0.9708(5) 0.042(3) Uani 1 1 d .
C17 C -0.2116(7) 0.8420(4) 1.0285(5) 0.057(3) Uani 1 1 d .
H17A H -0.2179 0.8745 1.0439 0.086 Uiso 1 1 calc R
H17B H -0.1672 0.8241 1.0594 0.086 Uiso 1 1 calc R
H17C H -0.2656 0.8245 1.0192 0.086 Uiso 1 1 calc R
C18 C -0.1927(10) 0.7547(4) 0.9593(7) 0.096(5) Uani 1 1 d .
H18A H -0.1669 0.7517 1.0034 0.143 Uiso 1 1 calc R
H18B H -0.1677 0.7306 0.9390 0.143 Uiso 1 1 calc R
H18C H -0.2542 0.7493 0.9482 0.143 Uiso 1 1 calc R
C19 C -0.1764(7) 0.8047(4) 0.9398(6) 0.055(3) Uani 1 1 d .
C20 C -0.1500(6) 0.8108(4) 0.8888(5) 0.041(3) Uani 1 1 d .
H20 H -0.1422 0.7827 0.8675 0.049 Uiso 1 1 calc R
C21 C -0.1344(5) 0.8565(3) 0.8674(4) 0.031(2) Uani 1 1 d .
C22 C -0.1291(6) 0.8316(4) 0.7719(5) 0.044(3) Uani 1 1 d .
H22 H -0.1850 0.8195 0.7655 0.053 Uiso 1 1 calc R
C23 C -0.0900(6) 0.8194(4) 0.7278(4) 0.041(3) Uani 1 1 d .
C24 C -0.1192(9) 0.7996(5) 0.6719(5) 0.081(5) Uani 1 1 d .
H24 H -0.1768 0.7915 0.6510 0.097 Uiso 1 1 calc R
C25 C -0.0537(8) 0.7934(5) 0.6506(5) 0.078(5) Uani 1 1 d .
H25 H -0.0564 0.7788 0.6130 0.094 Uiso 1 1 calc R
C26 C 0.0165(7) 0.8114(4) 0.6916(4) 0.043(3) Uani 1 1 d .
C27 C 0.1067(7) 0.8146(4) 0.6891(5) 0.051(3) Uani 1 1 d .
C28 C 0.1209(10) 0.7701(6) 0.6538(7) 0.108(6) Uani 1 1 d .
H28A H 0.1690 0.7762 0.6389 0.161 Uiso 1 1 calc R
H28B H 0.0695 0.7640 0.6193 0.161 Uiso 1 1 calc R
H28C H 0.1331 0.7417 0.6807 0.161 Uiso 1 1 calc R
C29 C 0.1104(7) 0.8619(5) 0.6530(5) 0.074(4) Uani 1 1 d .
H29A H 0.1119 0.8903 0.6788 0.111 Uiso 1 1 calc R
H29B H 0.0600 0.8636 0.6167 0.111 Uiso 1 1 calc R
H29C H 0.1617 0.8614 0.6407 0.111 Uiso 1 1 calc R
C30 C 0.1746(7) 0.8175(3) 0.7495(4) 0.038(2) Uani 1 1 d U
C31 C 0.2503(7) 0.7902(4) 0.7669(5) 0.053(2) Uani 1 1 d U
H31 H 0.2668 0.7662 0.7435 0.063 Uiso 1 1 calc R
C32 C 0.2954(7) 0.8053(4) 0.8244(5) 0.056(3) Uani 1 1 d U
H32 H 0.3489 0.7929 0.8487 0.067 Uiso 1 1 calc R
C33 C 0.2486(6) 0.8422(3) 0.8409(4) 0.034(2) Uani 1 1 d U
C34 C 0.2646(6) 0.8627(3) 0.8983(4) 0.032(2) Uani 1 1 d .
H34 H 0.3191 0.8572 0.9272 0.039 Uiso 1 1 calc R
C35 C 0.2284(5) 0.8942(3) 0.9798(4) 0.0235(19) Uani 1 1 d .
C36 C 0.2583(5) 0.8547(3) 1.0185(4) 0.028(2) Uani 1 1 d .
H36 H 0.2702 0.8252 1.0014 0.034 Uiso 1 1 calc R
C37 C 0.2715(5) 0.8563(3) 1.0808(4) 0.027(2) Uani 1 1 d .
C38 C 0.3010(7) 0.8115(4) 1.1181(4) 0.048(3) Uani 1 1 d .
H38A H 0.3619 0.8144 1.1405 0.072 Uiso 1 1 calc R
H38B H 0.2913 0.7831 1.0914 0.072 Uiso 1 1 calc R
H38C H 0.2693 0.8078 1.1470 0.072 Uiso 1 1 calc R
C39 C 0.2648(6) 0.9017(4) 1.1723(4) 0.039(3) Uani 1 1 d .
H39A H 0.2198 0.8831 1.1813 0.059 Uiso 1 1 calc R
H39B H 0.2620 0.9357 1.1839 0.059 Uiso 1 1 calc R
H39C H 0.3204 0.8881 1.1953 0.059 Uiso 1 1 calc R
C40 C 0.2530(5) 0.8987(3) 1.1062(4) 0.027(2) Uani 1 1 d .
C41 C 0.2222(5) 0.9385(3) 1.0686(4) 0.026(2) Uani 1 1 d .
H41 H 0.2092 0.9675 1.0860 0.031 Uiso 1 1 calc R
C42 C 0.2097(5) 0.9374(3) 1.0058(4) 0.0211(19) Uani 1 1 d .
C43 C 0.0582(6) 0.8142(4) 0.9561(5) 0.050(3) Uani 1 1 d .
H43 H 0.0401 0.8448 0.9663 0.060 Uiso 1 1 calc R
C44 C 0.0674(8) 0.7766(5) 0.9958(6) 0.079(4) Uani 1 1 d .
H44 H 0.0557 0.7807 1.0330 0.095 Uiso 1 1 calc R
C45 C 0.0948(11) 0.7317(6) 0.9800(9) 0.109(6) Uani 1 1 d .
H45 H 0.1025 0.7048 1.0069 0.131 Uiso 1 1 calc R
C46 C 0.1100(10) 0.7269(5) 0.9270(9) 0.097(5) Uani 1 1 d .
H46 H 0.1279 0.6965 0.9159 0.117 Uiso 1 1 calc R
C47 C 0.0994(7) 0.7662(4) 0.8884(7) 0.066(4) Uani 1 1 d .
H47 H 0.1105 0.7627 0.8509 0.079 Uiso 1 1 calc R
C48 C -0.0403(6) 0.9375(4) 0.6849(5) 0.047(3) Uani 1 1 d .
H48 H -0.0802 0.9120 0.6817 0.056 Uiso 1 1 calc R
C49 C -0.0502(6) 0.9672(4) 0.6344(5) 0.044(3) Uani 1 1 d .
H49 H -0.0901 0.9597 0.5959 0.052 Uiso 1 1 calc R
C50 C 0.0015(7) 1.0087(4) 0.6434(5) 0.050(3) Uani 1 1 d .
H50 H -0.0037 1.0290 0.6093 0.060 Uiso 1 1 calc R
C51 C 0.0569(6) 1.0215(4) 0.6958(5) 0.050(3) Uani 1 1 d U
H51 H 0.0900 1.0503 0.7013 0.061 Uiso 1 1 calc R
C52 C 0.0627(6) 0.9861(4) 0.7462(5) 0.043(3) Uani 1 1 d .
H52 H 0.0969 0.9939 0.7864 0.051 Uiso 1 1 calc R
C101 C 0.6387(5) 0.0730(3) 0.6638(4) 0.026(2) Uani 1 1 d .
H101 H 0.6657 0.0724 0.7066 0.032 Uiso 1 1 calc R
C102 C 0.6464(5) 0.1150(3) 0.6307(4) 0.0235(19) Uani 1 1 d .
C103 C 0.6921(5) 0.1577(3) 0.6492(4) 0.032(2) Uani 1 1 d .
H103 H 0.7286 0.1647 0.6890 0.039 Uiso 1 1 calc R
C104 C 0.6747(6) 0.1880(3) 0.5992(5) 0.036(2) Uani 1 1 d .
H104 H 0.6962 0.2199 0.5979 0.043 Uiso 1 1 calc R
C105 C 0.6194(5) 0.1623(3) 0.5509(4) 0.028(2) Uani 1 1 d .
C106 C 0.5769(5) 0.1784(3) 0.4861(5) 0.037(2) Uani 1 1 d .
C107 C 0.6040(6) 0.2317(3) 0.4775(6) 0.059(3) Uani 1 1 d .
H10A H 0.6643 0.2322 0.4805 0.088 Uiso 1 1 calc R
H10B H 0.5951 0.2525 0.5092 0.088 Uiso 1 1 calc R
H10C H 0.5696 0.2437 0.4375 0.088 Uiso 1 1 calc R
C108 C 0.6050(6) 0.1444(4) 0.4427(5) 0.043(3) Uani 1 1 d .
H10D H 0.5987 0.1105 0.4534 0.065 Uiso 1 1 calc R
H10E H 0.6646 0.1508 0.4467 0.065 Uiso 1 1 calc R
H10F H 0.5693 0.1504 0.4007 0.065 Uiso 1 1 calc R
C109 C 0.4798(6) 0.1761(3) 0.4721(4) 0.031(2) Uani 1 1 d .
C110 C 0.4211(6) 0.2135(3) 0.4558(4) 0.034(2) Uani 1 1 d .
H110 H 0.4323 0.2465 0.4489 0.041 Uiso 1 1 calc R
C111 C 0.3429(6) 0.1933(3) 0.4514(5) 0.041(3) Uani 1 1 d .
H111 H 0.2906 0.2105 0.4421 0.049 Uiso 1 1 calc R
C112 C 0.3536(5) 0.1440(3) 0.4628(4) 0.035(2) Uani 1 1 d .
C113 C 0.2981(5) 0.1069(3) 0.4652(4) 0.026(2) Uani 1 1 d .
H113 H 0.2395 0.1142 0.4571 0.031 Uiso 1 1 calc R
C114 C 0.2647(5) 0.0287(3) 0.4894(4) 0.023(2) Uani 1 1 d .
C115 C 0.2518(5) -0.0152(3) 0.4584(4) 0.025(2) Uani 1 1 d .
H115 H 0.2827 -0.0215 0.4310 0.031 Uiso 1 1 calc R
C116 C 0.1955(5) -0.0507(3) 0.4656(4) 0.029(2) Uani 1 1 d .
C117 C 0.1828(6) -0.0970(3) 0.4307(4) 0.037(2) Uani 1 1 d .
H11A H 0.2186 -0.0971 0.4043 0.055 Uiso 1 1 calc R
H11B H 0.1229 -0.1000 0.4058 0.055 Uiso 1 1 calc R
H11C H 0.1984 -0.1245 0.4589 0.055 Uiso 1 1 calc R
C118 C 0.0870(6) -0.0772(4) 0.5147(4) 0.037(2) Uani 1 1 d .
H11D H 0.0599 -0.0647 0.5436 0.056 Uiso 1 1 calc R
H11E H 0.1172 -0.1075 0.5304 0.056 Uiso 1 1 calc R
H11F H 0.0434 -0.0836 0.4755 0.056 Uiso 1 1 calc R
C119 C 0.1494(5) -0.0401(3) 0.5062(4) 0.027(2) Uani 1 1 d .
C120 C 0.1641(5) 0.0014(3) 0.5375(4) 0.027(2) Uani 1 1 d .
H120 H 0.1347 0.0067 0.5660 0.033 Uiso 1 1 calc R
C121 C 0.2205(5) 0.0380(3) 0.5311(4) 0.027(2) Uani 1 1 d .
C122 C 0.1721(5) 0.0990(3) 0.5768(6) 0.045(3) Uani 1 1 d .
H122 H 0.1179 0.0935 0.5476 0.054 Uiso 1 1 calc R
C123 C 0.1807(6) 0.1317(3) 0.6298(5) 0.032(2) Uani 1 1 d .
C124 C 0.1178(6) 0.1575(3) 0.6444(5) 0.040(3) Uani 1 1 d .
H124 H 0.0592 0.1588 0.6211 0.049 Uiso 1 1 calc R
C125 C 0.1557(7) 0.1807(4) 0.6988(5) 0.045(3) Uani 1 1 d .
H125 H 0.1283 0.2008 0.7202 0.054 Uiso 1 1 calc R
C126 C 0.2419(6) 0.1692(3) 0.7167(5) 0.038(3) Uani 1 1 d .
C127 C 0.3120(6) 0.1898(4) 0.7697(6) 0.052(3) Uani 1 1 d .
C128 C 0.2731(7) 0.2074(5) 0.8186(6) 0.087(5) Uani 1 1 d .
H12A H 0.2210 0.2259 0.7991 0.130 Uiso 1 1 calc R
H12B H 0.3141 0.2283 0.8480 0.130 Uiso 1 1 calc R
H12C H 0.2595 0.1793 0.8397 0.130 Uiso 1 1 calc R
C129 C 0.3490(7) 0.2350(4) 0.7454(7) 0.082(5) Uani 1 1 d .
H12D H 0.3624 0.2258 0.7086 0.123 Uiso 1 1 calc R
H12E H 0.4009 0.2461 0.7765 0.123 Uiso 1 1 calc R
H12F H 0.3069 0.2612 0.7357 0.123 Uiso 1 1 calc R
C130 C 0.3844(6) 0.1538(4) 0.8014(5) 0.043(3) Uani 1 1 d .
C131 C 0.4306(8) 0.1518(5) 0.8601(6) 0.077(4) Uani 1 1 d .
H131 H 0.4208 0.1705 0.8916 0.092 Uiso 1 1 calc R
C132 C 0.4969(7) 0.1171(5) 0.8680(5) 0.065(4) Uani 1 1 d .
H132 H 0.5398 0.1082 0.9046 0.078 Uiso 1 1 calc R
C133 C 0.4847(6) 0.0994(4) 0.8102(5) 0.040(3) Uani 1 1 d .
C134 C 0.5293(6) 0.0623(4) 0.7909(5) 0.039(2) Uani 1 1 d .
H134 H 0.5727 0.0458 0.8215 0.047 Uiso 1 1 calc R
C135 C 0.5535(5) 0.0029(3) 0.7246(4) 0.030(2) Uani 1 1 d .
C136 C 0.5491(6) -0.0358(4) 0.7611(4) 0.040(3) Uani 1 1 d .
H136 H 0.5262 -0.0313 0.7934 0.048 Uiso 1 1 calc R
C137 C 0.5786(6) -0.0819(4) 0.7509(5) 0.040(3) Uani 1 1 d .
C138 C 0.5748(9) -0.1248(4) 0.7922(6) 0.076(4) Uani 1 1 d .
H13A H 0.5385 -0.1504 0.7679 0.115 Uiso 1 1 calc R
H13B H 0.5512 -0.1138 0.8237 0.115 Uiso 1 1 calc R
H13C H 0.6322 -0.1376 0.8114 0.115 Uiso 1 1 calc R
C139 C 0.6362(7) -0.1386(4) 0.6870(5) 0.056(3) Uani 1 1 d .
H13D H 0.6687 -0.1548 0.7249 0.083 Uiso 1 1 calc R
H13E H 0.6720 -0.1350 0.6608 0.083 Uiso 1 1 calc R
H13F H 0.5861 -0.1583 0.6660 0.083 Uiso 1 1 calc R
C140 C 0.6076(6) -0.0883(3) 0.7014(5) 0.037(2) Uani 1 1 d .
C141 C 0.6097(5) -0.0494(3) 0.6644(4) 0.028(2) Uani 1 1 d .
H141 H 0.6287 -0.0544 0.6303 0.034 Uiso 1 1 calc R
C142 C 0.5850(5) -0.0033(3) 0.6757(4) 0.026(2) Uani 1 1 d .
C147 C 0.3054(7) 0.0037(4) 0.7356(5) 0.056(3) Uani 1 1 d .
H143 H 0.2943 0.0326 0.7543 0.067 Uiso 1 1 calc R
C146 C 0.2936(8) -0.0407(5) 0.7603(6) 0.072(4) Uani 1 1 d .
H144 H 0.2757 -0.0421 0.7952 0.086 Uiso 1 1 calc R
C145 C 0.3085(8) -0.0828(5) 0.7331(6) 0.069(4) Uani 1 1 d .
H145 H 0.3008 -0.1136 0.7492 0.083 Uiso 1 1 calc R
C144 C 0.3338(7) -0.0800(4) 0.6840(6) 0.062(4) Uani 1 1 d .
H146 H 0.3425 -0.1086 0.6638 0.075 Uiso 1 1 calc R
C143 C 0.3472(6) -0.0340(4) 0.6629(5) 0.048(3) Uani 1 1 d .
H147 H 0.3686 -0.0324 0.6295 0.058 Uiso 1 1 calc R
N1 N 0.1759(4) 0.9801(2) 0.9713(3) 0.0230(16) Uani 1 1 d .
N2 N 0.0991(4) 1.0509(2) 0.8878(3) 0.0249(17) Uani 1 1 d .
N3 N -0.0817(4) 1.0307(3) 0.8353(3) 0.0248(17) Uani 1 1 d .
N4 N -0.1287(4) 0.9461(3) 0.8816(3) 0.0260(17) Uani 1 1 d .
N5 N -0.0960(4) 0.8576(3) 0.8203(4) 0.0343(19) Uani 1 1 d .
N6 N -0.0028(5) 0.8268(3) 0.7419(3) 0.0351(19) Uani 1 1 d .
N7 N 0.1741(5) 0.8490(2) 0.7935(3) 0.0288(16) Uani 1 1 d U
N8 N 0.2106(4) 0.8888(2) 0.9157(3) 0.0228(16) Uani 1 1 d .
N9 N 0.0736(5) 0.8095(3) 0.9032(4) 0.041(2) Uani 1 1 d .
N10 N 0.0195(3) 0.9427(2) 0.7352(3) 0.0058(12) Uani 1 1 d U
N101 N 0.5956(4) 0.0354(2) 0.6372(3) 0.0220(16) Uani 1 1 d .
N102 N 0.6007(4) 0.1180(2) 0.5689(3) 0.0231(16) Uani 1 1 d .
N103 N 0.4420(4) 0.1338(2) 0.4761(3) 0.0223(16) Uani 1 1 d .
N104 N 0.3240(4) 0.0625(2) 0.4783(3) 0.0229(16) Uani 1 1 d .
N105 N 0.2393(4) 0.0783(3) 0.5714(3) 0.0277(18) Uani 1 1 d .
N106 N 0.2577(5) 0.1399(3) 0.6746(4) 0.039(2) Uani 1 1 d .
N107 N 0.4151(5) 0.1222(3) 0.7684(4) 0.0350(19) Uani 1 1 d .
N108 N 0.5159(4) 0.0485(3) 0.7344(3) 0.0273(17) Uani 1 1 d .
N109 N 0.3313(5) 0.0081(3) 0.6870(4) 0.044(2) Uani 1 1 d .
O1 O 0.0394(3) 0.9462(2) 0.8821(3) 0.0336(15) Uani 1 1 d .
O2 O -0.0114(3) 1.04379(19) 0.9824(2) 0.0228(13) Uani 1 1 d .
O3 O 0.4388(3) 0.0776(2) 0.5888(3) 0.0281(14) Uani 1 1 d .
O4 O 0.5371(3) 0.02806(18) 0.4727(2) 0.0180(12) Uani 1 1 d .
Ce1 Ce 0.06031(3) 0.881621(18) 0.82912(2) 0.02369(12) Uani 1 1 d .
Ce2 Ce 0.38008(3) 0.092503(19) 0.66332(2) 0.02837(13) Uani 1 1 d .
U1 U 0.012392(19) 0.996206(11) 0.929233(15) 0.02033(8) Uani 1 1 d .
U2 U 0.488839(18) 0.056080(11) 0.530853(15) 0.01847(8) Uani 1 1 d .
N110 N 0.4676(5) 0.1718(2) 0.6604(4) 0.073(3) Uani 1 1 d GU
C148 C 0.5217(5) 0.1932(3) 0.7127(4) 0.081(3) Uani 1 1 d GU
H148 H 0.5435 0.1746 0.7488 0.097 Uiso 1 1 calc R
C149 C 0.5441(5) 0.2419(3) 0.7122(4) 0.087(3) Uani 1 1 d GU
H149 H 0.5811 0.2565 0.7479 0.105 Uiso 1 1 calc R
C150 C 0.5123(6) 0.2691(2) 0.6593(5) 0.101(4) Uani 1 1 d GU
H150 H 0.5276 0.3023 0.6589 0.122 Uiso 1 1 calc R
C151 C 0.4582(6) 0.2477(3) 0.6070(4) 0.098(4) Uani 1 1 d GU
H151 H 0.4365 0.2663 0.5709 0.117 Uiso 1 1 calc R
C152 C 0.4358(5) 0.1990(3) 0.6076(3) 0.088(3) Uani 1 1 d GU
H152 H 0.3988 0.1844 0.5718 0.106 Uiso 1 1 calc R
N200 N 0.5720(6) 0.9796(4) 0.9346(5) 0.136(4) Uani 1 1 d GU
C200 C 0.6114(4) 0.9371(5) 0.9618(5) 0.131(4) Uani 1 1 d GU
H200 H 0.6717 0.9352 0.9769 0.157 Uiso 1 1 calc R
C201 C 0.5625(7) 0.8972(4) 0.9668(6) 0.139(5) Uani 1 1 d GU
H201 H 0.5894 0.8681 0.9853 0.167 Uiso 1 1 calc R
C202 C 0.4742(7) 0.8999(4) 0.9447(6) 0.137(5) Uani 1 1 d GU
H202 H 0.4408 0.8727 0.9481 0.165 Uiso 1 1 calc R
C203 C 0.4349(4) 0.9425(4) 0.9175(6) 0.137(5) Uani 1 1 d GU
H203 H 0.3745 0.9443 0.9024 0.165 Uiso 1 1 calc R
C204 C 0.4837(6) 0.9823(4) 0.9125(5) 0.127(4) Uani 1 1 d GU
H204 H 0.4568 1.0114 0.8939 0.152 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'
Ce Ce -0.2486 2.6331 '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
N1 C1 C2 120.7(8) . .
N1 C1 H1 119.7 . .
C2 C1 H1 119.7 . .
C3 C2 N2 110.2(8) . .
C3 C2 C1 130.9(8) . .
N2 C2 C1 118.7(7) . .
C2 C3 C4 107.4(8) . .
C2 C3 H3 126.3 . .
C4 C3 H3 126.3 . .
C3 C4 C5 106.5(8) . .
C3 C4 H4 126.7 . .
C5 C4 H4 126.7 . .
N2 C5 C4 109.6(8) . .
N2 C5 C6 121.9(7) . .
C4 C5 C6 128.5(8) . .
C5 C6 C8 109.2(8) . .
C5 C6 C7 110.9(7) . .
C8 C6 C7 109.2(8) . .
C5 C6 C9 107.5(7) . .
C8 C6 C9 109.9(7) . .
C7 C6 C9 110.2(8) . .
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 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N3 C9 C10 110.9(8) . .
N3 C9 C6 120.5(8) . .
C10 C9 C6 128.5(9) . .
C11 C10 C9 106.2(8) . .
C11 C10 H10 126.9 . .
C9 C10 H10 126.9 . .
C10 C11 C12 107.7(9) . .
C10 C11 H11 126.1 . .
C12 C11 H11 126.1 . .
N3 C12 C11 109.8(8) . .
N3 C12 C13 120.1(8) . .
C11 C12 C13 130.0(9) . .
N4 C13 C12 120.9(8) . .
N4 C13 H13 119.5 . .
C12 C13 H13 119.5 . .
C21 C14 C15 118.7(8) . .
C21 C14 N4 123.1(8) . .
C15 C14 N4 118.2(8) . .
C16 C15 C14 121.1(9) . .
C16 C15 H15 119.5 . .
C14 C15 H15 119.5 . .
C15 C16 C19 121.0(9) . .
C15 C16 C17 119.5(9) . .
C19 C16 C17 119.4(9) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 H18A 109.5 . .
C19 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C19 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C20 C19 C16 117.1(9) . .
C20 C19 C18 120.1(10) . .
C16 C19 C18 122.8(10) . .
C19 C20 C21 123.4(9) . .
C19 C20 H20 118.3 . .
C21 C20 H20 118.3 . .
C14 C21 C20 118.6(9) . .
C14 C21 N5 122.7(8) . .
C20 C21 N5 117.8(8) . .
N5 C22 C23 126.3(9) . .
N5 C22 H22 116.9 . .
C23 C22 H22 116.9 . .
C24 C23 N6 108.4(10) . .
C24 C23 C22 133.2(10) . .
N6 C23 C22 118.4(9) . .
C25 C24 C23 108.7(11) . .
C25 C24 H24 125.6 . .
C23 C24 H24 125.6 . .
C24 C25 C26 108.2(10) . .
C24 C25 H25 125.9 . .
C26 C25 H25 125.9 . .
C25 C26 N6 109.5(9) . .
C25 C26 C27 129.5(10) . .
N6 C26 C27 121.0(9) . .
C30 C27 C26 115.1(8) . .
C30 C27 C28 110.2(10) . .
C26 C27 C28 107.2(10) . .
C30 C27 C29 108.2(9) . .
C26 C27 C29 106.1(9) . .
C28 C27 C29 109.9(10) . .
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 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N7 C30 C31 110.3(9) . .
N7 C30 C27 124.3(9) . .
C31 C30 C27 125.3(9) . .
C32 C31 C30 106.2(9) . .
C32 C31 H31 126.9 . .
C30 C31 H31 126.9 . .
C31 C32 C33 107.9(9) . .
C31 C32 H32 126.1 . .
C33 C32 H32 126.1 . .
N7 C33 C34 123.9(8) . .
N7 C33 C32 108.1(9) . .
C34 C33 C32 126.9(9) . .
N8 C34 C33 125.2(9) . .
N8 C34 H34 117.4 . .
C33 C34 H34 117.4 . .
C36 C35 C42 117.6(8) . .
C36 C35 N8 120.1(8) . .
C42 C35 N8 122.1(7) . .
C35 C36 C37 123.3(8) . .
C35 C36 H36 118.3 . .
C37 C36 H36 118.3 . .
C40 C37 C36 119.1(8) . .
C40 C37 C38 121.5(8) . .
C36 C37 C38 119.3(8) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C40 C39 H39A 109.5 . .
C40 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C40 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C37 C40 C41 118.8(8) . .
C37 C40 C39 120.8(8) . .
C41 C40 C39 120.4(8) . .
C40 C41 C42 122.5(8) . .
C40 C41 H41 118.8 . .
C42 C41 H41 118.8 . .
C41 C42 C35 118.8(7) . .
C41 C42 N1 117.7(7) . .
C35 C42 N1 123.5(7) . .
N9 C43 C44 122.5(12) . .
N9 C43 H43 118.8 . .
C44 C43 H43 118.8 . .
C43 C44 C45 117.8(13) . .
C43 C44 H44 121.1 . .
C45 C44 H44 121.1 . .
C46 C45 C44 119.9(14) . .
C46 C45 H45 120.1 . .
C44 C45 H45 120.1 . .
C45 C46 C47 119.8(15) . .
C45 C46 H46 120.1 . .
C47 C46 H46 120.1 . .
N9 C47 C46 120.8(13) . .
N9 C47 H47 119.6 . .
C46 C47 H47 119.6 . .
N10 C48 C49 123.5(10) . .
N10 C48 H48 118.3 . .
C49 C48 H48 118.3 . .
C48 C49 C50 116.7(10) . .
C48 C49 H49 121.6 . .
C50 C49 H49 121.6 . .
C51 C50 C49 124.5(11) . .
C51 C50 H50 117.8 . .
C49 C50 H50 117.8 . .
C50 C51 C52 113.6(10) . .
C50 C51 H51 123.2 . .
C52 C51 H51 123.2 . .
N10 C52 C51 121.3(9) . .
N10 C52 H52 119.3 . .
C51 C52 H52 119.3 . .
N101 C101 C102 121.6(8) . .
N101 C101 H101 119.2 . .
C102 C101 H101 119.2 . .
C103 C102 N102 109.4(7) . .
C103 C102 C101 131.0(9) . .
N102 C102 C101 119.6(8) . .
C104 C103 C102 107.6(8) . .
C104 C103 H103 126.2 . .
C102 C103 H103 126.2 . .
C103 C104 C105 106.0(8) . .
C103 C104 H104 127.0 . .
C105 C104 H104 127.0 . .
N102 C105 C104 111.4(8) . .
N102 C105 C106 119.5(8) . .
C104 C105 C106 129.0(8) . .
C105 C106 C109 108.8(7) . .
C105 C106 C108 109.1(7) . .
C109 C106 C108 110.3(8) . .
C105 C106 C107 109.9(8) . .
C109 C106 C107 109.7(8) . .
C108 C106 C107 109.0(8) . .
C106 C107 H10A 109.5 . .
C106 C107 H10B 109.5 . .
H10A C107 H10B 109.5 . .
C106 C107 H10C 109.5 . .
H10A C107 H10C 109.5 . .
H10B C107 H10C 109.5 . .
C106 C108 H10D 109.5 . .
C106 C108 H10E 109.5 . .
H10D C108 H10E 109.5 . .
C106 C108 H10F 109.5 . .
H10D C108 H10F 109.5 . .
H10E C108 H10F 109.5 . .
N103 C109 C110 111.2(7) . .
N103 C109 C106 120.3(8) . .
C110 C109 C106 128.5(8) . .
C109 C110 C111 106.4(8) . .
C109 C110 H110 126.8 . .
C111 C110 H110 126.8 . .
C112 C111 C110 108.6(8) . .
C112 C111 H111 125.7 . .
C110 C111 H111 125.7 . .
C111 C112 C113 133.0(8) . .
C111 C112 N103 107.2(8) . .
C113 C112 N103 119.7(8) . .
N104 C113 C112 121.8(7) . .
N104 C113 H113 119.1 . .
C112 C113 H113 119.1 . .
C115 C114 C121 119.0(7) . .
C115 C114 N104 118.2(7) . .
C121 C114 N104 122.9(8) . .
C114 C115 C116 122.9(8) . .
C114 C115 H115 118.5 . .
C116 C115 H115 118.5 . .
C115 C116 C119 117.3(8) . .
C115 C116 C117 121.0(8) . .
C119 C116 C117 121.6(8) . .
C116 C117 H11A 109.5 . .
C116 C117 H11B 109.5 . .
H11A C117 H11B 109.5 . .
C116 C117 H11C 109.5 . .
H11A C117 H11C 109.5 . .
H11B C117 H11C 109.5 . .
C119 C118 H11D 109.5 . .
C119 C118 H11E 109.5 . .
H11D C118 H11E 109.5 . .
C119 C118 H11F 109.5 . .
H11D C118 H11F 109.5 . .
H11E C118 H11F 109.5 . .
C120 C119 C116 119.6(8) . .
C120 C119 C118 121.5(8) . .
C116 C119 C118 118.9(8) . .
C119 C120 C121 124.4(8) . .
C119 C120 H120 117.8 . .
C121 C120 H120 117.8 . .
C114 C121 C120 116.7(8) . .
C114 C121 N105 122.6(7) . .
C120 C121 N105 120.1(7) . .
N105 C122 C123 119.1(9) . .
N105 C122 H122 120.4 . .
C123 C122 H122 120.4 . .
N106 C123 C124 108.5(9) . .
N106 C123 C122 122.7(7) . .
C124 C123 C122 128.8(9) . .
C125 C124 C123 107.6(9) . .
C125 C124 H124 126.2 . .
C123 C124 H124 126.2 . .
C124 C125 C126 107.1(8) . .
C124 C125 H125 126.5 . .
C126 C125 H125 126.5 . .
N106 C126 C125 109.6(9) . .
N106 C126 C127 122.4(8) . .
C125 C126 C127 127.6(9) . .
C126 C127 C130 115.3(8) . .
C126 C127 C128 108.8(8) . .
C130 C127 C128 107.0(10) . .
C126 C127 C129 107.0(10) . .
C130 C127 C129 110.1(8) . .
C128 C127 C129 108.5(9) . .
C127 C128 H12A 109.5 . .
C127 C128 H12B 109.5 . .
H12A C128 H12B 109.5 . .
C127 C128 H12C 109.5 . .
H12A C128 H12C 109.5 . .
H12B C128 H12C 109.5 . .
C127 C129 H12D 109.5 . .
C127 C129 H12E 109.5 . .
H12D C129 H12E 109.5 . .
C127 C129 H12F 109.5 . .
H12D C129 H12F 109.5 . .
H12E C129 H12F 109.5 . .
C131 C130 N107 110.6(10) . .
C131 C130 C127 128.2(10) . .
N107 C130 C127 120.9(9) . .
C130 C131 C132 109.2(10) . .
C130 C131 H131 125.4 . .
C132 C131 H131 125.4 . .
C133 C132 C131 104.1(10) . .
C133 C132 H132 127.9 . .
C131 C132 H132 127.9 . .
C132 C133 N107 110.5(9) . .
C132 C133 C134 129.3(11) . .
N107 C133 C134 120.2(9) . .
N108 C134 C133 125.8(10) . .
N108 C134 H134 117.1 . .
C133 C134 H134 117.1 . .
C136 C135 C142 120.7(8) . .
C136 C135 N108 117.5(8) . .
C142 C135 N108 121.5(8) . .
C135 C136 C137 120.2(8) . .
C135 C136 H136 119.9 . .
C137 C136 H136 119.9 . .
C140 C137 C136 119.0(9) . .
C140 C137 C138 120.9(9) . .
C136 C137 C138 120.1(9) . .
C137 C138 H13A 109.5 . .
C137 C138 H13B 109.5 . .
H13A C138 H13B 109.5 . .
C137 C138 H13C 109.5 . .
H13A C138 H13C 109.5 . .
H13B C138 H13C 109.5 . .
C140 C139 H13D 109.5 . .
C140 C139 H13E 109.5 . .
H13D C139 H13E 109.5 . .
C140 C139 H13F 109.5 . .
H13D C139 H13F 109.5 . .
H13E C139 H13F 109.5 . .
C141 C140 C137 120.0(9) . .
C141 C140 C139 119.6(9) . .
C137 C140 C139 120.4(9) . .
C140 C141 C142 121.7(8) . .
C140 C141 H141 119.2 . .
C142 C141 H141 119.2 . .
C141 C142 C135 118.4(8) . .
C141 C142 N101 117.2(7) . .
C135 C142 N101 124.3(7) . .
N109 C147 C146 123.5(11) . .
N109 C147 H143 118.3 . .
C146 C147 H143 118.3 . .
C145 C146 C147 118.8(11) . .
C145 C146 H144 120.6 . .
C147 C146 H144 120.6 . .
C144 C145 C146 119.5(12) . .
C144 C145 H145 120.3 . .
C146 C145 H145 120.3 . .
C145 C144 C143 118.6(12) . .
C145 C144 H146 120.7 . .
C143 C144 H146 120.7 . .
N109 C143 C144 123.8(10) . .
N109 C143 H147 118.1 . .
C144 C143 H147 118.1 . .
C1 N1 C42 118.1(7) . .
C1 N1 U1 113.4(5) . .
C42 N1 U1 121.6(5) . .
C5 N2 C2 106.3(7) . .
C5 N2 U1 133.6(6) . .
C2 N2 U1 117.2(5) . .
C9 N3 C12 105.3(7) . .
C9 N3 U1 134.2(6) . .
C12 N3 U1 116.1(6) . .
C13 N4 C14 115.6(7) . .
C13 N4 U1 111.4(5) . .
C14 N4 U1 125.6(5) . .
C22 N5 C21 118.8(8) . .
C22 N5 Ce1 110.0(6) . .
C21 N5 Ce1 128.1(6) . .
C26 N6 C23 105.0(8) . .
C26 N6 Ce1 137.1(6) . .
C23 N6 Ce1 114.8(6) . .
C30 N7 C33 107.5(8) . .
C30 N7 Ce1 133.1(6) . .
C33 N7 Ce1 111.6(5) . .
C34 N8 C35 116.3(7) . .
C34 N8 Ce1 107.1(6) . .
C35 N8 Ce1 128.8(5) . .
C43 N9 C47 119.2(10) . .
C43 N9 Ce1 122.5(7) . .
C47 N9 Ce1 118.3(8) . .
C48 N10 C52 118.3(8) . .
C48 N10 Ce1 126.7(6) . .
C52 N10 Ce1 114.6(5) . .
C101 N101 C142 116.9(7) . .
C101 N101 U2 112.4(6) . .
C142 N101 U2 124.9(5) . .
C105 N102 C102 105.5(7) . .
C105 N102 U2 136.9(6) . .
C102 N102 U2 115.3(5) . .
C109 N103 C112 106.6(7) . .
C109 N103 U2 135.0(6) . .
C112 N103 U2 114.4(5) . .
C113 N104 C114 117.2(6) . .
C113 N104 U2 113.0(5) . .
C114 N104 U2 123.0(5) . .
C122 N105 C121 113.2(8) . .
C122 N105 Ce2 115.0(7) . .
C121 N105 Ce2 126.9(5) . .
C126 N106 C123 107.2(7) . .
C126 N106 Ce2 137.5(7) . .
C123 N106 Ce2 115.0(6) . .
C130 N107 C133 105.6(8) . .
C130 N107 Ce2 139.3(7) . .
C133 N107 Ce2 114.9(6) . .
C134 N108 C135 117.5(8) . .
C134 N108 Ce2 109.4(6) . .
C135 N108 Ce2 128.7(5) . .
C147 N109 C143 115.6(9) . .
C147 N109 Ce2 118.0(7) . .
C143 N109 Ce2 124.7(7) . .
U1 O1 Ce1 173.4(3) . .
U1 O2 U1 107.7(2) . 3_577
U2 O3 Ce2 171.9(3) . .
U2 O4 U2 107.8(2) . 3_656
O1 Ce1 N7 137.8(2) . .
O1 Ce1 N6 146.1(2) . .
N7 Ce1 N6 70.8(2) . .
O1 Ce1 N9 103.7(3) . .
N7 Ce1 N9 91.8(2) . .
N6 Ce1 N9 90.1(3) . .
O1 Ce1 N5 85.4(2) . .
N7 Ce1 N5 136.7(3) . .
N6 Ce1 N5 68.5(2) . .
N9 Ce1 N5 74.4(2) . .
O1 Ce1 N10 84.6(2) . .
N7 Ce1 N10 88.7(2) . .
N6 Ce1 N10 77.5(2) . .
N9 Ce1 N10 166.7(2) . .
N5 Ce1 N10 96.2(2) . .
O1 Ce1 N8 78.4(2) . .
N7 Ce1 N8 69.4(2) . .
N6 Ce1 N8 135.5(2) . .
N9 Ce1 N8 72.2(2) . .
N5 Ce1 N8 137.9(2) . .
N10 Ce1 N8 120.24(18) . .
O3 Ce2 N107 142.2(2) . .
O3 Ce2 N106 137.1(3) . .
N107 Ce2 N106 70.4(3) . .
O3 Ce2 N109 103.9(2) . .
N107 Ce2 N109 94.5(3) . .
N106 Ce2 N109 97.4(3) . .
O3 Ce2 N108 84.6(2) . .
N107 Ce2 N108 69.3(2) . .
N106 Ce2 N108 137.6(3) . .
N109 Ce2 N108 73.4(2) . .
O3 Ce2 N110 75.9(2) . .
N107 Ce2 N110 78.0(3) . .
N106 Ce2 N110 92.5(2) . .
N109 Ce2 N110 164.9(3) . .
N108 Ce2 N110 91.6(2) . .
O3 Ce2 N105 80.9(2) . .
N107 Ce2 N105 135.9(2) . .
N106 Ce2 N105 67.9(2) . .
N109 Ce2 N105 77.4(2) . .
N108 Ce2 N105 143.1(2) . .
N110 Ce2 N105 117.0(3) . .
O1 U1 O2 175.6(2) . .
O1 U1 O2 103.5(2) . 3_577
O2 U1 O2 72.3(2) . 3_577
O1 U1 N3 88.2(2) . .
O2 U1 N3 96.1(2) . .
O2 U1 N3 142.2(2) 3_577 .
O1 U1 N2 86.8(2) . .
O2 U1 N2 95.7(2) . .
O2 U1 N2 142.7(2) 3_577 .
N3 U1 N2 72.6(2) . .
O1 U1 N1 71.6(2) . .
O2 U1 N1 106.1(2) . .
O2 U1 N1 83.60(19) 3_577 .
N3 U1 N1 133.9(2) . .
N2 U1 N1 65.5(2) . .
O1 U1 N4 73.7(2) . .
O2 U1 N4 106.8(2) . .
O2 U1 N4 82.4(2) 3_577 .
N3 U1 N4 66.3(2) . .
N2 U1 N4 134.6(2) . .
N1 U1 N4 138.2(2) . .
O1 U1 U1 135.7(2) . 3_577
O2 U1 U1 40.16(15) . 3_577
O2 U1 U1 32.16(13) 3_577 3_577
N3 U1 U1 126.44(16) . 3_577
N2 U1 U1 126.45(16) . 3_577
N1 U1 U1 94.55(15) . 3_577
N4 U1 U1 94.13(15) . 3_577
O3 U2 O4 174.8(2) . .
O3 U2 O4 102.6(2) . 3_656
O4 U2 O4 72.2(2) . 3_656
O3 U2 N102 88.8(2) . .
O4 U2 N102 95.4(2) . .
O4 U2 N102 143.3(2) 3_656 .
O3 U2 N103 87.6(2) . .
O4 U2 N103 96.7(2) . .
O4 U2 N103 143.7(2) 3_656 .
N102 U2 N103 70.4(2) . .
O3 U2 N101 73.3(2) . .
O4 U2 N101 105.5(2) . .
O4 U2 N101 83.1(2) 3_656 .
N102 U2 N101 66.7(2) . .
N103 U2 N101 133.0(2) . .
O3 U2 N104 71.4(2) . .
O4 U2 N104 107.7(2) . .
O4 U2 N104 84.14(19) 3_656 .
N102 U2 N104 132.4(2) . .
N103 U2 N104 66.0(2) . .
N101 U2 N104 138.6(2) . .
O3 U2 U2 134.61(17) . 3_656
O4 U2 U2 40.17(14) . 3_656
O4 U2 U2 32.06(11) 3_656 3_656
N102 U2 U2 126.53(15) . 3_656
N103 U2 U2 127.67(16) . 3_656
N101 U2 U2 93.84(15) . 3_656
N104 U2 U2 95.77(15) . 3_656
C148 N110 C152 120.0 . .
C148 N110 Ce2 122.5(4) . .
C152 N110 Ce2 114.3(5) . .
C149 C148 N110 120.0 . .
C149 C148 H148 120.0 . .
N110 C148 H148 120.0 . .
C150 C149 C148 120.0 . .
C150 C149 H149 120.0 . .
C148 C149 H149 120.0 . .
C149 C150 C151 120.0 . .
C149 C150 H150 120.0 . .
C151 C150 H150 120.0 . .
C152 C151 C150 120.0 . .
C152 C151 H151 120.0 . .
C150 C151 H151 120.0 . .
C151 C152 N110 120.0 . .
C151 C152 H152 120.0 . .
N110 C152 H152 120.0 . .
C200 N200 C204 120.0 . .
C201 C200 N200 120.0 . .
C201 C200 H200 120.0 . .
N200 C200 H200 120.0 . .
C200 C201 C202 120.0 . .
C200 C201 H201 120.0 . .
C202 C201 H201 120.0 . .
C203 C202 C201 120.0 . .
C203 C202 H202 120.0 . .
C201 C202 H202 120.0 . .
C202 C203 C204 120.0 . .
C202 C203 H203 120.0 . .
C204 C203 H203 120.0 . .
C203 C204 N200 120.0 . .
C203 C204 H204 120.0 . .
N200 C204 H204 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.305(10) .
C1 C2 1.425(12) .
C1 H1 0.9500 .
C2 C3 1.369(12) .
C2 N2 1.378(10) .
C3 C4 1.370(13) .
C3 H3 0.9500 .
C4 C5 1.412(12) .
C4 H4 0.9500 .
C5 N2 1.347(11) .
C5 C6 1.518(12) .
C6 C8 1.537(12) .
C6 C7 1.536(12) .
C6 C9 1.551(13) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 N3 1.375(11) .
C9 C10 1.389(12) .
C10 C11 1.380(13) .
C10 H10 0.9500 .
C11 C12 1.390(12) .
C11 H11 0.9500 .
C12 N3 1.379(11) .
C12 C13 1.413(12) .
C13 N4 1.307(11) .
C13 H13 0.9500 .
C14 C21 1.392(12) .
C14 C15 1.427(12) .
C14 N4 1.434(11) .
C15 C16 1.385(12) .
C15 H15 0.9500 .
C16 C19 1.399(14) .
C16 C17 1.530(13) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.498(14) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C20 1.398(13) .
C20 C21 1.406(13) .
C20 H20 0.9500 .
C21 N5 1.430(11) .
C22 N5 1.298(12) .
C22 C23 1.418(13) .
C22 H22 0.9500 .
C23 C24 1.346(14) .
C23 N6 1.392(11) .
C24 C25 1.341(16) .
C24 H24 0.9500 .
C25 C26 1.341(14) .
C25 H25 0.9500 .
C26 N6 1.372(11) .
C26 C27 1.519(14) .
C27 C30 1.495(14) .
C27 C28 1.532(15) .
C27 C29 1.559(16) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 N7 1.341(11) .
C30 C31 1.406(13) .
C31 C32 1.370(14) .
C31 H31 0.9500 .
C32 C33 1.405(12) .
C32 H32 0.9500 .
C33 N7 1.380(11) .
C33 C34 1.393(12) .
C34 N8 1.308(10) .
C34 H34 0.9500 .
C35 C36 1.396(12) .
C35 C42 1.412(11) .
C35 N8 1.430(10) .
C36 C37 1.394(11) .
C36 H36 0.9500 .
C37 C40 1.385(12) .
C37 C38 1.495(12) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C40 1.486(11) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 C41 1.394(12) .
C41 C42 1.406(11) .
C41 H41 0.9500 .
C42 N1 1.430(10) .
C43 N9 1.338(13) .
C43 C44 1.360(15) .
C43 H43 0.9500 .
C44 C45 1.41(2) .
C44 H44 0.9500 .
C45 C46 1.34(2) .
C45 H45 0.9500 .
C46 C47 1.380(18) .
C46 H46 0.9500 .
C47 N9 1.348(14) .
C47 H47 0.9500 .
C48 N10 1.277(11) .
C48 C49 1.395(14) .
C48 H48 0.9500 .
C49 C50 1.405(14) .
C49 H49 0.9500 .
C50 C51 1.318(14) .
C50 H50 0.9500 .
C51 C52 1.500(15) .
C51 H51 0.9500 .
C52 N10 1.374(11) .
C52 H52 0.9500 .
C101 N101 1.298(10) .
C101 C102 1.416(11) .
C101 H101 0.9500 .
C102 C103 1.388(11) .
C102 N102 1.395(10) .
C103 C104 1.384(13) .
C103 H103 0.9500 .
C104 C105 1.393(12) .
C104 H104 0.9500 .
C105 N102 1.354(10) .
C105 C106 1.512(13) .
C106 C109 1.540(12) .
C106 C108 1.551(13) .
C106 C107 1.562(12) .
C107 H10A 0.9800 .
C107 H10B 0.9800 .
C107 H10C 0.9800 .
C108 H10D 0.9800 .
C108 H10E 0.9800 .
C108 H10F 0.9800 .
C109 N103 1.339(10) .
C109 C110 1.383(12) .
C110 C111 1.385(12) .
C110 H110 0.9500 .
C111 C112 1.383(12) .
C111 H111 0.9500 .
C112 C113 1.388(11) .
C112 N103 1.426(10) .
C113 N104 1.298(10) .
C113 H113 0.9500 .
C114 C115 1.389(12) .
C114 C121 1.413(11) .
C114 N104 1.434(9) .
C115 C116 1.397(11) .
C115 H115 0.9500 .
C116 C119 1.420(11) .
C116 C117 1.491(12) .
C117 H11A 0.9800 .
C117 H11B 0.9800 .
C117 H11C 0.9800 .
C118 C119 1.511(11) .
C118 H11D 0.9800 .
C118 H11E 0.9800 .
C118 H11F 0.9800 .
C119 C120 1.333(12) .
C120 C121 1.413(11) .
C120 H120 0.9500 .
C121 N105 1.419(11) .
C122 N105 1.293(10) .
C122 C123 1.493(14) .
C122 H122 0.9500 .
C123 N106 1.384(12) .
C123 C124 1.391(12) .
C124 C125 1.376(14) .
C124 H124 0.9500 .
C125 C126 1.392(13) .
C125 H125 0.9500 .
C126 N106 1.356(11) .
C126 C127 1.507(14) .
C127 C130 1.548(15) .
C127 C128 1.553(13) .
C127 C129 1.569(15) .
C128 H12A 0.9800 .
C128 H12B 0.9800 .
C128 H12C 0.9800 .
C129 H12D 0.9800 .
C129 H12E 0.9800 .
C129 H12F 0.9800 .
C130 C131 1.335(15) .
C130 N107 1.361(11) .
C131 C132 1.422(16) .
C131 H131 0.9500 .
C132 C133 1.380(14) .
C132 H132 0.9500 .
C133 N107 1.398(12) .
C133 C134 1.414(13) .
C134 N108 1.316(11) .
C134 H134 0.9500 .
C135 C136 1.379(12) .
C135 C142 1.402(12) .
C135 N108 1.450(11) .
C136 C137 1.406(13) .
C136 H136 0.9500 .
C137 C140 1.392(13) .
C137 C138 1.535(13) .
C138 H13A 0.9800 .
C138 H13B 0.9800 .
C138 H13C 0.9800 .
C139 C140 1.535(13) .
C139 H13D 0.9800 .
C139 H13E 0.9800 .
C139 H13F 0.9800 .
C140 C141 1.380(12) .
C141 C142 1.383(11) .
C141 H141 0.9500 .
C142 N101 1.437(10) .
C147 N109 1.335(12) .
C147 C146 1.391(16) .
C147 H143 0.9500 .
C146 C145 1.377(17) .
C146 H144 0.9500 .
C145 C144 1.337(15) .
C145 H145 0.9500 .
C144 C143 1.399(14) .
C144 H146 0.9500 .
C143 N109 1.349(12) .
C143 H147 0.9500 .
N1 U1 2.611(6) .
N2 U1 2.478(7) .
N3 U1 2.433(7) .
N4 U1 2.635(7) .
N5 Ce1 2.619(7) .
N6 Ce1 2.473(7) .
N7 Ce1 2.460(6) .
N8 Ce1 2.664(7) .
N9 Ce1 2.588(8) .
N10 Ce1 2.663(6) .
N101 U2 2.602(7) .
N102 U2 2.467(6) .
N103 U2 2.482(7) .
N104 U2 2.621(6) .
N105 Ce2 2.643(7) .
N106 Ce2 2.495(7) .
N107 Ce2 2.460(7) .
N108 Ce2 2.625(7) .
N109 Ce2 2.576(8) .
O1 U1 1.897(5) .
O1 Ce1 2.251(6) .
O2 U1 1.925(5) .
O2 U1 2.332(5) 3_577
O3 U2 1.888(5) .
O3 Ce2 2.276(5) .
O4 U2 1.935(5) .
O4 U2 2.351(5) 3_656
Ce2 N110 2.633(6) .
U1 O2 2.332(5) 3_577
U1 U1 3.4455(6) 3_577
U2 O4 2.351(5) 3_656
U2 U2 3.4712(6) 3_656
N110 C148 1.3900 .
N110 C152 1.3900 .
C148 C149 1.3900 .
C148 H148 0.9500 .
C149 C150 1.3900 .
C149 H149 0.9500 .
C150 C151 1.3900 .
C150 H150 0.9500 .
C151 C152 1.3900 .
C151 H151 0.9500 .
C152 H152 0.9500 .
N200 C200 1.3900 .
N200 C204 1.3900 .
C200 C201 1.3900 .
C200 H200 0.9500 .
C201 C202 1.3900 .
C201 H201 0.9500 .
C202 C203 1.3900 .
C202 H202 0.9500 .
C203 C204 1.3900 .
C203 H203 0.9500 .
C204 H204 0.9500 .
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
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 178.4(10) . .
N1 C1 C2 N2 -6.9(13) . .
N2 C2 C3 C4 -0.8(11) . .
C1 C2 C3 C4 174.2(10) . .
C2 C3 C4 C5 0.6(11) . .
C3 C4 C5 N2 -0.3(11) . .
C3 C4 C5 C6 179.8(9) . .
N2 C5 C6 C8 60.7(11) . .
C4 C5 C6 C8 -119.4(10) . .
N2 C5 C6 C7 -179.0(9) . .
C4 C5 C6 C7 0.9(14) . .
N2 C5 C6 C9 -58.5(11) . .
C4 C5 C6 C9 121.4(10) . .
C5 C6 C9 N3 59.8(10) . .
C8 C6 C9 N3 -58.9(10) . .
C7 C6 C9 N3 -179.3(7) . .
C5 C6 C9 C10 -118.3(10) . .
C8 C6 C9 C10 122.9(10) . .
C7 C6 C9 C10 2.6(12) . .
N3 C9 C10 C11 -0.3(10) . .
C6 C9 C10 C11 178.0(8) . .
C9 C10 C11 C12 -0.2(10) . .
C10 C11 C12 N3 0.6(10) . .
C10 C11 C12 C13 -177.6(8) . .
N3 C12 C13 N4 1.4(12) . .
C11 C12 C13 N4 179.4(8) . .
C21 C14 C15 C16 -2.9(13) . .
N4 C14 C15 C16 178.8(8) . .
C14 C15 C16 C19 3.3(15) . .
C14 C15 C16 C17 179.2(9) . .
C15 C16 C19 C20 -1.5(16) . .
C17 C16 C19 C20 -177.4(10) . .
C15 C16 C19 C18 178.5(12) . .
C17 C16 C19 C18 2.6(18) . .
C16 C19 C20 C21 -0.7(16) . .
C18 C19 C20 C21 179.3(11) . .
C15 C14 C21 C20 0.7(13) . .
N4 C14 C21 C20 179.0(8) . .
C15 C14 C21 N5 -168.8(8) . .
N4 C14 C21 N5 9.5(13) . .
C19 C20 C21 C14 1.1(15) . .
C19 C20 C21 N5 171.1(9) . .
N5 C22 C23 C24 -168.1(13) . .
N5 C22 C23 N6 14.0(16) . .
N6 C23 C24 C25 1.3(16) . .
C22 C23 C24 C25 -176.7(12) . .
C23 C24 C25 C26 -3.1(17) . .
C24 C25 C26 N6 3.7(16) . .
C24 C25 C26 C27 -178.2(12) . .
C25 C26 C27 C30 -156.3(12) . .
N6 C26 C27 C30 21.6(14) . .
C25 C26 C27 C28 -33.4(17) . .
N6 C26 C27 C28 144.5(11) . .
C25 C26 C27 C29 84.1(15) . .
N6 C26 C27 C29 -98.1(11) . .
C26 C27 C30 N7 -50.5(13) . .
C28 C27 C30 N7 -171.8(10) . .
C29 C27 C30 N7 68.0(12) . .
C26 C27 C30 C31 133.9(10) . .
C28 C27 C30 C31 12.6(15) . .
C29 C27 C30 C31 -107.6(11) . .
N7 C30 C31 C32 1.7(12) . .
C27 C30 C31 C32 177.8(10) . .
C30 C31 C32 C33 -1.6(13) . .
C31 C32 C33 N7 1.0(12) . .
C31 C32 C33 C34 169.7(10) . .
N7 C33 C34 N8 3.2(15) . .
C32 C33 C34 N8 -163.9(10) . .
C42 C35 C36 C37 -1.0(13) . .
N8 C35 C36 C37 -175.5(7) . .
C35 C36 C37 C40 1.1(13) . .
C35 C36 C37 C38 178.1(8) . .
C36 C37 C40 C41 -0.4(12) . .
C38 C37 C40 C41 -177.3(8) . .
C36 C37 C40 C39 179.0(8) . .
C38 C37 C40 C39 2.1(13) . .
C37 C40 C41 C42 -0.4(12) . .
C39 C40 C41 C42 -179.8(8) . .
C40 C41 C42 C35 0.5(12) . .
C40 C41 C42 N1 178.6(7) . .
C36 C35 C42 C41 0.2(11) . .
N8 C35 C42 C41 174.5(7) . .
C36 C35 C42 N1 -177.7(7) . .
N8 C35 C42 N1 -3.4(12) . .
N9 C43 C44 C45 0(2) . .
C43 C44 C45 C46 -1(2) . .
C44 C45 C46 C47 1(3) . .
C45 C46 C47 N9 0(2) . .
N10 C48 C49 C50 -9.3(15) . .
C48 C49 C50 C51 -1.1(15) . .
C49 C50 C51 C52 2.2(14) . .
C50 C51 C52 N10 6.0(13) . .
N101 C101 C102 C103 -176.3(8) . .
N101 C101 C102 N102 5.8(12) . .
N102 C102 C103 C104 0.5(9) . .
C101 C102 C103 C104 -177.5(8) . .
C102 C103 C104 C105 -0.9(10) . .
C103 C104 C105 N102 1.0(10) . .
C103 C104 C105 C106 177.2(8) . .
N102 C105 C106 C109 56.2(10) . .
C104 C105 C106 C109 -119.7(9) . .
N102 C105 C106 C108 -64.2(10) . .
C104 C105 C106 C108 119.9(10) . .
N102 C105 C106 C107 176.3(7) . .
C104 C105 C106 C107 0.4(13) . .
C105 C106 C109 N103 -60.2(11) . .
C108 C106 C109 N103 59.4(11) . .
C107 C106 C109 N103 179.5(9) . .
C105 C106 C109 C110 118.7(10) . .
C108 C106 C109 C110 -121.6(11) . .
C107 C106 C109 C110 -1.5(14) . .
N103 C109 C110 C111 2.1(11) . .
C106 C109 C110 C111 -176.9(9) . .
C109 C110 C111 C112 -2.1(12) . .
C110 C111 C112 C113 179.0(10) . .
C110 C111 C112 N103 1.4(12) . .
C111 C112 C113 N104 -178.6(11) . .
N103 C112 C113 N104 -1.2(14) . .
C121 C114 C115 C116 1.3(13) . .
N104 C114 C115 C116 -179.8(7) . .
C114 C115 C116 C119 0.8(13) . .
C114 C115 C116 C117 179.1(8) . .
C115 C116 C119 C120 -3.1(13) . .
C117 C116 C119 C120 178.6(8) . .
C115 C116 C119 C118 179.2(8) . .
C117 C116 C119 C118 0.9(13) . .
C116 C119 C120 C121 3.4(14) . .
C118 C119 C120 C121 -178.9(8) . .
C115 C114 C121 C120 -1.1(12) . .
N104 C114 C121 C120 -179.9(7) . .
C115 C114 C121 N105 170.1(8) . .
N104 C114 C121 N105 -8.7(13) . .
C119 C120 C121 C114 -1.3(13) . .
C119 C120 C121 N105 -172.7(8) . .
N105 C122 C123 N106 -1.9(13) . .
N105 C122 C123 C124 179.9(9) . .
N106 C123 C124 C125 -1.2(11) . .
C122 C123 C124 C125 177.2(9) . .
C123 C124 C125 C126 0.5(11) . .
C124 C125 C126 N106 0.4(11) . .
C124 C125 C126 C127 173.1(10) . .
N106 C126 C127 C130 -42.3(14) . .
C125 C126 C127 C130 145.9(10) . .
N106 C126 C127 C128 -162.5(10) . .
C125 C126 C127 C128 25.7(15) . .
N106 C126 C127 C129 80.6(11) . .
C125 C126 C127 C129 -91.3(11) . .
C126 C127 C130 C131 -146.9(11) . .
C128 C127 C130 C131 -25.8(15) . .
C129 C127 C130 C131 91.9(14) . .
C126 C127 C130 N107 40.6(12) . .
C128 C127 C130 N107 161.8(8) . .
C129 C127 C130 N107 -80.6(11) . .
N107 C130 C131 C132 0.3(14) . .
C127 C130 C131 C132 -172.8(10) . .
C130 C131 C132 C133 -0.6(14) . .
C131 C132 C133 N107 0.7(13) . .
C131 C132 C133 C134 -176.6(10) . .
C132 C133 C134 N108 -177.3(10) . .
N107 C133 C134 N108 5.6(14) . .
C142 C135 C136 C137 1.8(15) . .
N108 C135 C136 C137 175.2(8) . .
C135 C136 C137 C140 -3.5(15) . .
C135 C136 C137 C138 179.2(10) . .
C136 C137 C140 C141 2.1(15) . .
C138 C137 C140 C141 179.4(10) . .
C136 C137 C140 C139 -177.1(9) . .
C138 C137 C140 C139 0.2(15) . .
C137 C140 C141 C142 1.2(14) . .
C139 C140 C141 C142 -179.7(9) . .
C140 C141 C142 C135 -2.9(13) . .
C140 C141 C142 N101 175.5(8) . .
C136 C135 C142 C141 1.4(13) . .
N108 C135 C142 C141 -171.7(8) . .
C136 C135 C142 N101 -176.8(8) . .
N108 C135 C142 N101 10.0(13) . .
N109 C147 C146 C145 -0.8(19) . .
C147 C146 C145 C144 0(2) . .
C146 C145 C144 C143 2.1(19) . .
C145 C144 C143 N109 -4.0(18) . .
C2 C1 N1 C42 171.9(8) . .
C2 C1 N1 U1 20.4(10) . .
C41 C42 N1 C1 126.1(8) . .
C35 C42 N1 C1 -56.0(11) . .
C41 C42 N1 U1 -84.8(8) . .
C35 C42 N1 U1 93.1(8) . .
C4 C5 N2 C2 -0.2(10) . .
C6 C5 N2 C2 179.7(8) . .
C4 C5 N2 U1 -159.6(6) . .
C6 C5 N2 U1 20.3(13) . .
C3 C2 N2 C5 0.6(10) . .
C1 C2 N2 C5 -175.1(8) . .
C3 C2 N2 U1 164.0(6) . .
C1 C2 N2 U1 -11.7(11) . .
C10 C9 N3 C12 0.6(9) . .
C6 C9 N3 C12 -177.8(7) . .
C10 C9 N3 U1 155.2(6) . .
C6 C9 N3 U1 -23.2(12) . .
C11 C12 N3 C9 -0.8(9) . .
C13 C12 N3 C9 177.6(7) . .
C11 C12 N3 U1 -160.7(5) . .
C13 C12 N3 U1 17.6(10) . .
C12 C13 N4 C14 -169.3(7) . .
C12 C13 N4 U1 -17.6(9) . .
C21 C14 N4 C13 49.3(11) . .
C15 C14 N4 C13 -132.5(8) . .
C21 C14 N4 U1 -97.9(9) . .
C15 C14 N4 U1 80.4(9) . .
C23 C22 N5 C21 -164.5(10) . .
C23 C22 N5 Ce1 -3.0(13) . .
C14 C21 N5 C22 -139.3(10) . .
C20 C21 N5 C22 51.1(12) . .
C14 C21 N5 Ce1 62.9(11) . .
C20 C21 N5 Ce1 -106.6(9) . .
C25 C26 N6 C23 -2.9(13) . .
C27 C26 N6 C23 178.9(9) . .
C25 C26 N6 Ce1 -161.0(9) . .
C27 C26 N6 Ce1 20.8(16) . .
C24 C23 N6 C26 0.9(12) . .
C22 C23 N6 C26 179.3(9) . .
C24 C23 N6 Ce1 164.7(8) . .
C22 C23 N6 Ce1 -16.9(11) . .
C31 C30 N7 C33 -1.1(10) . .
C27 C30 N7 C33 -177.3(9) . .
C31 C30 N7 Ce1 -146.5(7) . .
C27 C30 N7 Ce1 37.3(13) . .
C34 C33 N7 C30 -169.1(9) . .
C32 C33 N7 C30 0.1(10) . .
C34 C33 N7 Ce1 -15.5(11) . .
C32 C33 N7 Ce1 153.6(7) . .
C33 C34 N8 C35 162.0(9) . .
C33 C34 N8 Ce1 9.9(11) . .
C36 C35 N8 C34 -40.6(11) . .
C42 C35 N8 C34 145.3(8) . .
C36 C35 N8 Ce1 104.4(8) . .
C42 C35 N8 Ce1 -69.8(9) . .
C44 C43 N9 C47 -0.1(16) . .
C44 C43 N9 Ce1 -178.1(9) . .
C46 C47 N9 C43 0.1(17) . .
C46 C47 N9 Ce1 178.2(10) . .
C49 C48 N10 C52 17.4(14) . .
C49 C48 N10 Ce1 -170.1(7) . .
C51 C52 N10 C48 -15.6(12) . .
C51 C52 N10 Ce1 170.9(6) . .
C102 C101 N101 C142 -174.1(7) . .
C102 C101 N101 U2 -19.5(9) . .
C141 C142 N101 C101 -125.8(8) . .
C135 C142 N101 C101 52.5(11) . .
C141 C142 N101 U2 83.1(8) . .
C135 C142 N101 U2 -98.6(9) . .
C104 C105 N102 C102 -0.7(9) . .
C106 C105 N102 C102 -177.3(7) . .
C104 C105 N102 U2 160.5(6) . .
C106 C105 N102 U2 -16.0(12) . .
C103 C102 N102 C105 0.1(9) . .
C101 C102 N102 C105 178.4(7) . .
C103 C102 N102 U2 -165.9(5) . .
C101 C102 N102 U2 12.4(9) . .
C110 C109 N103 C112 -1.2(10) . .
C106 C109 N103 C112 177.9(8) . .
C110 C109 N103 U2 -156.2(6) . .
C106 C109 N103 U2 22.9(13) . .
C111 C112 N103 C109 -0.1(10) . .
C113 C112 N103 C109 -178.1(8) . .
C111 C112 N103 U2 160.7(7) . .
C113 C112 N103 U2 -17.3(11) . .
C112 C113 N104 C114 170.0(8) . .
C112 C113 N104 U2 17.8(11) . .
C115 C114 N104 C113 129.4(9) . .
C121 C114 N104 C113 -51.8(11) . .
C115 C114 N104 U2 -81.5(9) . .
C121 C114 N104 U2 97.3(8) . .
C123 C122 N105 C121 162.3(8) . .
C123 C122 N105 Ce2 5.4(10) . .
C114 C121 N105 C122 139.3(9) . .
C120 C121 N105 C122 -49.8(11) . .
C114 C121 N105 Ce2 -67.2(11) . .
C120 C121 N105 Ce2 103.7(8) . .
C125 C126 N106 C123 -1.1(11) . .
C127 C126 N106 C123 -174.2(9) . .
C125 C126 N106 Ce2 -173.2(7) . .
C127 C126 N106 Ce2 13.7(15) . .
C124 C123 N106 C126 1.4(10) . .
C122 C123 N106 C126 -177.1(8) . .
C124 C123 N106 Ce2 175.5(6) . .
C122 C123 N106 Ce2 -3.0(11) . .
C131 C130 N107 C133 0.1(12) . .
C127 C130 N107 C133 173.9(8) . .
C131 C130 N107 Ce2 175.9(8) . .
C127 C130 N107 Ce2 -10.4(14) . .
C132 C133 N107 C130 -0.6(11) . .
C134 C133 N107 C130 177.0(8) . .
C132 C133 N107 Ce2 -177.5(7) . .
C134 C133 N107 Ce2 0.1(11) . .
C133 C134 N108 C135 -166.0(8) . .
C133 C134 N108 Ce2 -7.4(11) . .
C136 C135 N108 C134 42.5(12) . .
C142 C135 N108 C134 -144.2(9) . .
C136 C135 N108 Ce2 -111.3(9) . .
C142 C135 N108 Ce2 62.0(10) . .
C146 C147 N109 C143 -0.8(16) . .
C146 C147 N109 Ce2 -166.8(9) . .
C144 C143 N109 C147 3.2(15) . .
C144 C143 N109 Ce2 168.2(8) . .
U1 O1 Ce1 N7 -155(3) . .
U1 O1 Ce1 N6 65(3) . .
U1 O1 Ce1 N9 -46(3) . .
U1 O1 Ce1 N5 26(3) . .
U1 O1 Ce1 N10 123(3) . .
U1 O1 Ce1 N8 -115(3) . .
C30 N7 Ce1 O1 -159.6(7) . .
C33 N7 Ce1 O1 56.1(7) . .
C30 N7 Ce1 N6 -1.8(8) . .
C33 N7 Ce1 N6 -146.2(6) . .
C30 N7 Ce1 N9 87.6(8) . .
C33 N7 Ce1 N9 -56.7(6) . .
C30 N7 Ce1 N5 18.7(10) . .
C33 N7 Ce1 N5 -125.7(6) . .
C30 N7 Ce1 N10 -79.0(8) . .
C33 N7 Ce1 N10 136.6(6) . .
C30 N7 Ce1 N8 157.8(9) . .
C33 N7 Ce1 N8 13.4(5) . .
C26 N6 Ce1 O1 125.4(9) . .
C23 N6 Ce1 O1 -31.2(9) . .
C26 N6 Ce1 N7 -27.5(10) . .
C23 N6 Ce1 N7 175.9(7) . .
C26 N6 Ce1 N9 -119.4(10) . .
C23 N6 Ce1 N9 84.0(6) . .
C26 N6 Ce1 N5 167.5(11) . .
C23 N6 Ce1 N5 10.8(6) . .
C26 N6 Ce1 N10 65.5(10) . .
C23 N6 Ce1 N10 -91.1(6) . .
C26 N6 Ce1 N8 -55.1(11) . .
C23 N6 Ce1 N8 148.2(6) . .
C43 N9 Ce1 O1 7.9(8) . .
C47 N9 Ce1 O1 -170.1(7) . .
C43 N9 Ce1 N7 148.4(7) . .
C47 N9 Ce1 N7 -29.7(7) . .
C43 N9 Ce1 N6 -140.8(8) . .
C47 N9 Ce1 N6 41.2(7) . .
C43 N9 Ce1 N5 -73.2(7) . .
C47 N9 Ce1 N5 108.7(8) . .
C43 N9 Ce1 N10 -119.5(11) . .
C47 N9 Ce1 N10 62.5(13) . .
C43 N9 Ce1 N8 80.8(7) . .
C47 N9 Ce1 N8 -97.3(7) . .
C22 N5 Ce1 O1 153.8(7) . .
C21 N5 Ce1 O1 -46.9(7) . .
C22 N5 Ce1 N7 -25.0(8) . .
C21 N5 Ce1 N7 134.3(7) . .
C22 N5 Ce1 N6 -4.2(6) . .
C21 N5 Ce1 N6 155.1(8) . .
C22 N5 Ce1 N9 -100.7(7) . .
C21 N5 Ce1 N9 58.6(7) . .
C22 N5 Ce1 N10 69.7(7) . .
C21 N5 Ce1 N10 -131.0(7) . .
C22 N5 Ce1 N8 -139.2(6) . .
C21 N5 Ce1 N8 20.1(9) . .
C48 N10 Ce1 O1 -123.1(7) . .
C52 N10 Ce1 O1 49.7(5) . .
C48 N10 Ce1 N7 98.6(7) . .
C52 N10 Ce1 N7 -88.6(5) . .
C48 N10 Ce1 N6 28.0(7) . .
C52 N10 Ce1 N6 -159.3(5) . .
C48 N10 Ce1 N9 6.1(13) . .
C52 N10 Ce1 N9 178.9(10) . .
C48 N10 Ce1 N5 -38.3(7) . .
C52 N10 Ce1 N5 134.5(5) . .
C48 N10 Ce1 N8 163.7(7) . .
C52 N10 Ce1 N8 -23.5(6) . .
C34 N8 Ce1 O1 -164.4(6) . .
C35 N8 Ce1 O1 48.2(6) . .
C34 N8 Ce1 N7 -12.0(5) . .
C35 N8 Ce1 N7 -159.5(7) . .
C34 N8 Ce1 N6 15.9(7) . .
C35 N8 Ce1 N6 -131.5(6) . .
C34 N8 Ce1 N9 87.0(6) . .
C35 N8 Ce1 N9 -60.4(7) . .
C34 N8 Ce1 N5 126.0(6) . .
C35 N8 Ce1 N5 -21.4(8) . .
C34 N8 Ce1 N10 -87.7(6) . .
C35 N8 Ce1 N10 124.9(6) . .
U2 O3 Ce2 N107 97(2) . .
U2 O3 Ce2 N106 -137(2) . .
U2 O3 Ce2 N109 -20(2) . .
U2 O3 Ce2 N108 52(2) . .
U2 O3 Ce2 N110 145(2) . .
U2 O3 Ce2 N105 -94(2) . .
C130 N107 Ce2 O3 132.7(8) . .
C133 N107 Ce2 O3 -51.8(8) . .
C130 N107 Ce2 N106 -11.4(9) . .
C133 N107 Ce2 N106 164.1(7) . .
C130 N107 Ce2 N109 -107.7(9) . .
C133 N107 Ce2 N109 67.9(6) . .
C130 N107 Ce2 N108 -178.0(10) . .
C133 N107 Ce2 N108 -2.5(6) . .
C130 N107 Ce2 N110 85.6(9) . .
C133 N107 Ce2 N110 -98.9(6) . .
C130 N107 Ce2 N105 -31.1(11) . .
C133 N107 Ce2 N105 144.4(6) . .
C126 N106 Ce2 O3 -138.2(9) . .
C123 N106 Ce2 O3 50.2(7) . .
C126 N106 Ce2 N107 10.0(9) . .
C123 N106 Ce2 N107 -161.6(7) . .
C126 N106 Ce2 N109 102.2(9) . .
C123 N106 Ce2 N109 -69.4(7) . .
C126 N106 Ce2 N108 28.8(11) . .
C123 N106 Ce2 N108 -142.8(6) . .
C126 N106 Ce2 N110 -66.3(9) . .
C123 N106 Ce2 N110 122.1(6) . .
C126 N106 Ce2 N105 175.4(10) . .
C123 N106 Ce2 N105 3.8(6) . .
C147 N109 Ce2 O3 170.3(8) . .
C143 N109 Ce2 O3 5.7(8) . .
C147 N109 Ce2 N107 23.5(8) . .
C143 N109 Ce2 N107 -141.1(8) . .
C147 N109 Ce2 N106 -47.3(8) . .
C143 N109 Ce2 N106 148.1(8) . .
C147 N109 Ce2 N108 90.3(8) . .
C143 N109 Ce2 N108 -74.3(8) . .
C147 N109 Ce2 N110 83.0(12) . .
C143 N109 Ce2 N110 -81.6(13) . .
C147 N109 Ce2 N105 -112.6(8) . .
C143 N109 Ce2 N105 82.8(8) . .
C134 N108 Ce2 O3 157.0(6) . .
C135 N108 Ce2 O3 -47.4(6) . .
C134 N108 Ce2 N107 4.8(5) . .
C135 N108 Ce2 N107 160.3(7) . .
C134 N108 Ce2 N106 -14.1(7) . .
C135 N108 Ce2 N106 141.4(6) . .
C134 N108 Ce2 N109 -96.7(6) . .
C135 N108 Ce2 N109 58.8(6) . .
C134 N108 Ce2 N110 81.3(6) . .
C135 N108 Ce2 N110 -123.1(6) . .
C134 N108 Ce2 N105 -136.0(5) . .
C135 N108 Ce2 N105 19.5(8) . .
C122 N105 Ce2 O3 -155.0(6) . .
C121 N105 Ce2 O3 51.9(6) . .
C122 N105 Ce2 N107 15.0(7) . .
C121 N105 Ce2 N107 -138.1(6) . .
C122 N105 Ce2 N106 -5.0(6) . .
C121 N105 Ce2 N106 -158.1(7) . .
C122 N105 Ce2 N109 98.4(6) . .
C121 N105 Ce2 N109 -54.7(6) . .
C122 N105 Ce2 N108 136.9(6) . .
C121 N105 Ce2 N108 -16.2(8) . .
C122 N105 Ce2 N110 -86.0(6) . .
C121 N105 Ce2 N110 120.8(6) . .
Ce1 O1 U1 O2 65(5) . .
Ce1 O1 U1 O2 46(3) . 3_577
Ce1 O1 U1 N3 -98(3) . .
Ce1 O1 U1 N2 -171(3) . .
Ce1 O1 U1 N1 124(3) . .
Ce1 O1 U1 N4 -32(3) . .
Ce1 O1 U1 U1 47(3) . 3_577
U1 O2 U1 O1 -20(3) 3_577 .
U1 O2 U1 O2 0.0 3_577 3_577
U1 O2 U1 N3 143.1(2) 3_577 .
U1 O2 U1 N2 -143.8(2) 3_577 .
U1 O2 U1 N1 -77.7(2) 3_577 .
U1 O2 U1 N4 76.1(3) 3_577 .
C9 N3 U1 O1 -97.5(8) . .
C12 N3 U1 O1 55.1(6) . .
C9 N3 U1 O2 83.8(8) . .
C12 N3 U1 O2 -123.6(6) . .
C9 N3 U1 O2 152.6(7) . 3_577
C12 N3 U1 O2 -54.8(7) . 3_577
C9 N3 U1 N2 -10.3(7) . .
C12 N3 U1 N2 142.3(6) . .
C9 N3 U1 N1 -35.5(9) . .
C12 N3 U1 N1 117.1(6) . .
C9 N3 U1 N4 -170.5(8) . .
C12 N3 U1 N4 -17.9(5) . .
C9 N3 U1 U1 112.5(7) . 3_577
C12 N3 U1 U1 -94.9(6) . 3_577
C5 N2 U1 O1 101.4(8) . .
C2 N2 U1 O1 -56.3(6) . .
C5 N2 U1 O2 -82.2(8) . .
C2 N2 U1 O2 120.0(6) . .
C5 N2 U1 O2 -150.4(7) . 3_577
C2 N2 U1 O2 51.9(7) . 3_577
C5 N2 U1 N3 12.3(8) . .
C2 N2 U1 N3 -145.4(6) . .
C5 N2 U1 N1 172.7(8) . .
C2 N2 U1 N1 14.9(6) . .
C5 N2 U1 N4 38.1(9) . .
C2 N2 U1 N4 -119.6(6) . .
C5 N2 U1 U1 -110.5(8) . 3_577
C2 N2 U1 U1 91.8(6) . 3_577
C1 N1 U1 O1 76.8(6) . .
C42 N1 U1 O1 -73.6(6) . .
C1 N1 U1 O2 -107.1(6) . .
C42 N1 U1 O2 102.5(6) . .
C1 N1 U1 O2 -176.6(6) . 3_577
C42 N1 U1 O2 33.0(6) . 3_577
C1 N1 U1 N3 8.4(7) . .
C42 N1 U1 N3 -142.0(6) . .
C1 N1 U1 N2 -18.1(6) . .
C42 N1 U1 N2 -168.5(6) . .
C1 N1 U1 N4 112.3(6) . .
C42 N1 U1 N4 -38.1(7) . .
C1 N1 U1 U1 -146.3(6) . 3_577
C42 N1 U1 U1 63.3(6) . 3_577
C13 N4 U1 O1 -76.9(6) . .
C14 N4 U1 O1 71.4(6) . .
C13 N4 U1 O2 107.7(6) . .
C14 N4 U1 O2 -104.0(6) . .
C13 N4 U1 O2 176.6(6) . 3_577
C14 N4 U1 O2 -35.1(6) . 3_577
C13 N4 U1 N3 18.3(5) . .
C14 N4 U1 N3 166.7(7) . .
C13 N4 U1 N2 -8.6(7) . .
C14 N4 U1 N2 139.7(6) . .
C13 N4 U1 N1 -111.9(6) . .
C14 N4 U1 N1 36.4(8) . .
C13 N4 U1 U1 146.6(5) . 3_577
C14 N4 U1 U1 -65.1(6) . 3_577
Ce2 O3 U2 O4 19(4) . .
Ce2 O3 U2 O4 20(2) . 3_656
Ce2 O3 U2 N102 -124(2) . .
Ce2 O3 U2 N103 165(2) . .
Ce2 O3 U2 N101 -58(2) . .
Ce2 O3 U2 N104 100(2) . .
Ce2 O3 U2 U2 20(2) . 3_656
U2 O4 U2 O3 1(3) 3_656 .
U2 O4 U2 O4 0.0 3_656 3_656
U2 O4 U2 N102 144.6(2) 3_656 .
U2 O4 U2 N103 -144.5(2) 3_656 .
U2 O4 U2 N101 77.3(2) 3_656 .
U2 O4 U2 N104 -77.6(3) 3_656 .
C105 N102 U2 O3 -102.6(8) . .
C102 N102 U2 O3 57.3(5) . .
C105 N102 U2 O4 80.5(8) . .
C102 N102 U2 O4 -119.5(5) . .
C105 N102 U2 O4 147.8(7) . 3_656
C102 N102 U2 O4 -52.2(7) . 3_656
C105 N102 U2 N103 -14.7(7) . .
C102 N102 U2 N103 145.2(6) . .
C105 N102 U2 N101 -175.0(8) . .
C102 N102 U2 N101 -15.0(5) . .
C105 N102 U2 N104 -39.5(9) . .
C102 N102 U2 N104 120.5(5) . .
C105 N102 U2 U2 108.2(7) . 3_656
C102 N102 U2 U2 -91.8(5) . 3_656
C109 N103 U2 O3 100.4(8) . .
C112 N103 U2 O3 -53.2(6) . .
C109 N103 U2 O4 -82.6(8) . .
C112 N103 U2 O4 123.9(6) . .
C109 N103 U2 O4 -151.5(7) . 3_656
C112 N103 U2 O4 54.9(7) . 3_656
C109 N103 U2 N102 10.8(8) . .
C112 N103 U2 N102 -142.7(6) . .
C109 N103 U2 N101 36.0(9) . .
C112 N103 U2 N101 -117.6(6) . .
C109 N103 U2 N104 171.0(8) . .
C112 N103 U2 N104 17.5(6) . .
C109 N103 U2 U2 -110.8(8) . 3_656
C112 N103 U2 U2 95.7(6) . 3_656
C101 N101 U2 O3 -78.2(5) . .
C142 N101 U2 O3 74.0(6) . .
C101 N101 U2 O4 107.1(5) . .
C142 N101 U2 O4 -100.7(6) . .
C101 N101 U2 O4 176.4(5) . 3_656
C142 N101 U2 O4 -31.3(6) . 3_656
C101 N101 U2 N102 17.8(5) . .
C142 N101 U2 N102 170.0(6) . .
C101 N101 U2 N103 -8.1(6) . .
C142 N101 U2 N103 144.2(6) . .
C101 N101 U2 N104 -110.6(6) . .
C142 N101 U2 N104 41.6(7) . .
C101 N101 U2 U2 146.2(5) . 3_656
C142 N101 U2 U2 -61.6(6) . 3_656
C113 N104 U2 O3 77.3(6) . .
C114 N104 U2 O3 -73.0(6) . .
C113 N104 U2 O4 -108.1(6) . .
C114 N104 U2 O4 101.6(6) . .
C113 N104 U2 O4 -177.3(6) . 3_656
C114 N104 U2 O4 32.4(6) . 3_656
C113 N104 U2 N102 7.1(7) . .
C114 N104 U2 N102 -143.2(6) . .
C113 N104 U2 N103 -18.5(6) . .
C114 N104 U2 N103 -168.8(7) . .
C113 N104 U2 N101 110.1(6) . .
C114 N104 U2 N101 -40.2(7) . .
C113 N104 U2 U2 -147.4(6) . 3_656
C114 N104 U2 U2 62.3(6) . 3_656
O3 Ce2 N110 C148 -132.9(4) . .
N107 Ce2 N110 C148 19.5(4) . .
N106 Ce2 N110 C148 88.9(4) . .
N109 Ce2 N110 C148 -41.8(11) . .
N108 Ce2 N110 C148 -48.9(4) . .
N105 Ce2 N110 C148 155.3(4) . .
O3 Ce2 N110 C152 67.4(4) . .
N107 Ce2 N110 C152 -140.2(4) . .
N106 Ce2 N110 C152 -70.8(4) . .
N109 Ce2 N110 C152 158.4(9) . .
N108 Ce2 N110 C152 151.4(4) . .
N105 Ce2 N110 C152 -4.5(4) . .
C152 N110 C148 C149 0.0 . .
Ce2 N110 C148 C149 -158.7(5) . .
N110 C148 C149 C150 0.0 . .
C148 C149 C150 C151 0.0 . .
C149 C150 C151 C152 0.0 . .
C150 C151 C152 N110 0.0 . .
C148 N110 C152 C151 0.0 . .
Ce2 N110 C152 C151 160.3(4) . .
C204 N200 C200 C201 0.0 . .
N200 C200 C201 C202 0.0 . .
C200 C201 C202 C203 0.0 . .
C201 C202 C203 C204 0.0 . .
C202 C203 C204 N200 0.0 . .
C200 N200 C204 C203 0.0 . .
