#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:50:11 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178965 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/94/4119447.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_4119447
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 Er2 N21 O4 U2'
_chemical_formula_sum            'C109 H105 Er2 N21 O4 U2'
_chemical_formula_weight         2583.72
_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                 108.055(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.3807(3)
_cell_length_b                   27.5419(4)
_cell_length_c                   23.0385(4)
_cell_measurement_reflns_used    21586
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.1789
_cell_measurement_theta_min      2.9716
_cell_volume                     9882.1(3)
_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 0.978
_diffrn_measured_fraction_theta_max 0.978
_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  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0652
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            65338
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    5.014
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58737
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_description       plate
_exptl_crystal_F_000             5032
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.166
_exptl_crystal_size_min          0.031
_refine_diff_density_max         1.770
_refine_diff_density_min         -1.890
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1314
_refine_ls_number_reflns         22196
_refine_ls_number_restraints     162
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0203P)²+22.2297P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0727
_refine_ls_wR_factor_ref         0.0826
_reflns_number_gt                16914
_reflns_number_total             22196
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ja308993g_si_010.cif
_cod_data_source_block           p10093
_cod_database_code               4119447
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8304(4) 0.9533(2) 0.8309(3) 0.0277(14) Uani 1 1 d . . .
H1 H 0.7878 0.9313 0.8080 0.033 Uiso 1 1 calc R . .
C2 C 0.8510(4) 0.9940(2) 0.8016(3) 0.0260(13) Uani 1 1 d . . .
C3 C 0.8194(4) 1.0091(2) 0.7406(3) 0.0319(15) Uani 1 1 d . . .
H3 H 0.7753 0.9939 0.7088 0.038 Uiso 1 1 calc R . .
C4 C 0.8649(4) 1.0502(2) 0.7359(3) 0.0354(16) Uani 1 1 d . . .
H4 H 0.8574 1.0690 0.7000 0.042 Uiso 1 1 calc R . .
C5 C 0.9239(4) 1.0592(2) 0.7930(3) 0.0251(13) Uani 1 1 d . . .
C6 C 0.9893(4) 1.1000(2) 0.8126(3) 0.0304(14) Uani 1 1 d . . .
C7 C 0.9723(4) 1.1301(2) 0.8639(3) 0.0339(15) Uani 1 1 d . . .
H7A H 0.9748 1.1089 0.8986 0.051 Uiso 1 1 calc R . .
H7B H 0.9153 1.1450 0.8488 0.051 Uiso 1 1 calc R . .
H7C H 1.0159 1.1555 0.8770 0.051 Uiso 1 1 calc R . .
C8 C 0.9851(4) 1.1332(2) 0.7587(3) 0.0450(18) Uani 1 1 d . . .
H8A H 1.0245 1.1606 0.7728 0.068 Uiso 1 1 calc R . .
H8B H 0.9264 1.1455 0.7412 0.068 Uiso 1 1 calc R . .
H8C H 1.0016 1.1150 0.7276 0.068 Uiso 1 1 calc R . .
C9 C 1.0789(4) 1.0778(2) 0.8364(3) 0.0285(14) Uani 1 1 d . . .
C10 C 1.1521(4) 1.0870(2) 0.8187(3) 0.0318(15) Uani 1 1 d . . .
H10 H 1.1561 1.1091 0.7880 0.038 Uiso 1 1 calc R . .
C11 C 1.2178(4) 1.0577(2) 0.8548(3) 0.0321(15) Uani 1 1 d . . .
H11 H 1.2749 1.0555 0.8531 0.039 Uiso 1 1 calc R . .
C12 C 1.1830(4) 1.0325(2) 0.8936(3) 0.0240(13) Uani 1 1 d . . .
C13 C 1.2180(4) 0.9958(2) 0.9375(3) 0.0255(13) Uani 1 1 d . . .
H13 H 1.2743 0.9840 0.9425 0.031 Uiso 1 1 calc R . .
C14 C 1.2085(3) 0.9361(2) 1.0061(3) 0.0222(12) Uani 1 1 d . . .
C15 C 1.2224(3) 0.9367(2) 1.0691(3) 0.0251(13) Uani 1 1 d . . .
H15 H 1.2099 0.9656 1.0871 0.030 Uiso 1 1 calc R . .
C16 C 1.2535(4) 0.8972(2) 1.1067(3) 0.0282(14) Uani 1 1 d . . .
C17 C 1.2662(4) 0.9001(2) 1.1731(3) 0.0371(16) Uani 1 1 d . . .
H17A H 1.2567 0.9335 1.1840 0.056 Uiso 1 1 calc R . .
H17B H 1.3249 0.8902 1.1956 0.056 Uiso 1 1 calc R . .
H17C H 1.2254 0.8785 1.1835 0.056 Uiso 1 1 calc R . .
C18 C 1.3031(5) 0.8100(2) 1.1185(3) 0.0440(18) Uani 1 1 d . . .
H18A H 1.3020 0.7821 1.0919 0.066 Uiso 1 1 calc R . .
H18B H 1.2662 0.8034 1.1439 0.066 Uiso 1 1 calc R . .
H18C H 1.3621 0.8157 1.1447 0.066 Uiso 1 1 calc R . .
C19 C 1.2710(4) 0.8541(2) 1.0802(3) 0.0299(14) Uani 1 1 d . . .
C20 C 1.2557(4) 0.8530(2) 1.0181(3) 0.0279(14) Uani 1 1 d . . .
H20 H 1.2674 0.8237 1.0004 0.034 Uiso 1 1 calc R . .
C21 C 1.2241(4) 0.8925(2) 0.9795(3) 0.0263(13) Uani 1 1 d . . .
C22 C 1.2613(4) 0.8634(2) 0.8973(3) 0.0318(15) Uani 1 1 d . . .
H22 H 1.3171 0.8597 0.9257 0.038 Uiso 1 1 calc R . .
C23 C 1.2451(4) 0.8441(2) 0.8380(3) 0.0338(15) Uani 1 1 d . . .
C24 C 1.2968(5) 0.8127(3) 0.8177(3) 0.056(2) Uani 1 1 d . . .
H24 H 1.3549 0.8046 0.8384 0.068 Uiso 1 1 calc R . .
C25 C 1.2467(6) 0.7954(3) 0.7611(3) 0.057(2) Uani 1 1 d . . .
H25 H 1.2644 0.7732 0.7358 0.069 Uiso 1 1 calc R . .
C26 C 1.1666(4) 0.8165(2) 0.7486(3) 0.0332(15) Uani 1 1 d . . .
C27 C 1.0936(5) 0.8112(3) 0.6899(3) 0.0449(19) Uani 1 1 d . . .
C28 C 1.1047(7) 0.7642(4) 0.6585(5) 0.098(4) Uani 1 1 d . . .
H28A H 1.1047 0.7367 0.6854 0.147 Uiso 1 1 calc R . .
H28B H 1.1593 0.7651 0.6493 0.147 Uiso 1 1 calc R . .
H28C H 1.0572 0.7606 0.6204 0.147 Uiso 1 1 calc R . .
C29 C 1.0988(5) 0.8533(3) 0.6473(3) 0.071(3) Uani 1 1 d . . .
H29A H 1.0500 0.8514 0.6098 0.107 Uiso 1 1 calc R . .
H29B H 1.1525 0.8509 0.6371 0.107 Uiso 1 1 calc R . .
H29C H 1.0972 0.8843 0.6678 0.107 Uiso 1 1 calc R . .
C30 C 1.0060(5) 0.8114(2) 0.6977(3) 0.0433(18) Uani 1 1 d . . .
C31 C 0.9305(6) 0.7978(3) 0.6535(4) 0.071(3) Uani 1 1 d . . .
H31 H 0.9251 0.7872 0.6133 0.085 Uiso 1 1 calc R . .
C32 C 0.8644(6) 0.8027(3) 0.6789(3) 0.067(3) Uani 1 1 d . . .
H32 H 0.8054 0.7958 0.6597 0.080 Uiso 1 1 calc R . .
C33 C 0.9020(4) 0.8196(2) 0.7376(3) 0.0393(17) Uani 1 1 d . . .
C34 C 0.8654(4) 0.8320(2) 0.7837(3) 0.0357(16) Uani 1 1 d . . .
H34 H 0.8081 0.8223 0.7793 0.043 Uiso 1 1 calc R . .
C35 C 0.8725(4) 0.8551(2) 0.8812(3) 0.0280(14) Uani 1 1 d . . .
C36 C 0.8598(4) 0.8102(2) 0.9049(3) 0.0344(15) Uani 1 1 d . . .
H36 H 0.8688 0.7817 0.8844 0.041 Uiso 1 1 calc R . .
C37 C 0.8349(4) 0.8049(2) 0.9565(3) 0.0387(17) Uani 1 1 d . . .
C38 C 0.8300(6) 0.7554(3) 0.9813(4) 0.065(2) Uani 1 1 d . . .
H38A H 0.7761 0.7520 0.9911 0.097 Uiso 1 1 calc R . .
H38B H 0.8786 0.7506 1.0184 0.097 Uiso 1 1 calc R . .
H38C H 0.8320 0.7310 0.9508 0.097 Uiso 1 1 calc R . .
C39 C 0.7920(5) 0.8428(3) 1.0414(3) 0.0449(18) Uani 1 1 d . . .
H39A H 0.7883 0.8753 1.0577 0.067 Uiso 1 1 calc R . .
H39B H 0.8334 0.8233 1.0724 0.067 Uiso 1 1 calc R . .
H39C H 0.7354 0.8273 1.0305 0.067 Uiso 1 1 calc R . .
C40 C 0.8205(4) 0.8468(2) 0.9859(3) 0.0354(16) Uani 1 1 d . . .
C41 C 0.8332(4) 0.8921(2) 0.9634(3) 0.0285(14) Uani 1 1 d . . .
H41 H 0.8254 0.9203 0.9847 0.034 Uiso 1 1 calc R . .
C42 C 0.8568(3) 0.8974(2) 0.9110(3) 0.0233(13) Uani 1 1 d . . .
C43 C 1.0636(4) 0.8125(3) 0.9567(3) 0.0448(17) Uani 1 1 d U . .
H43 H 1.0461 0.8431 0.9678 0.054 Uiso 1 1 calc R . .
C44 C 1.0769(5) 0.7748(3) 0.9975(4) 0.067(2) Uani 1 1 d U . .
H44 H 1.0692 0.7792 1.0364 0.080 Uiso 1 1 calc R . .
C45 C 1.1013(6) 0.7308(4) 0.9808(5) 0.084(3) Uani 1 1 d U . .
H45 H 1.1111 0.7041 1.0081 0.100 Uiso 1 1 calc R . .
C46 C 1.1113(6) 0.7258(3) 0.9247(5) 0.078(3) Uani 1 1 d U . .
H46 H 1.1275 0.6953 0.9124 0.093 Uiso 1 1 calc R . .
C47 C 1.0981(5) 0.7642(3) 0.8868(4) 0.0530(19) Uani 1 1 d U . .
H47 H 1.1059 0.7603 0.8479 0.064 Uiso 1 1 calc R . .
C48 C 1.0669(4) 0.9749(2) 0.7503(3) 0.0343(15) Uani 1 1 d . . .
H48 H 1.1095 0.9814 0.7881 0.041 Uiso 1 1 calc R . .
C49 C 1.0613(5) 1.0055(2) 0.7020(3) 0.0412(17) Uani 1 1 d . . .
H49 H 1.1002 1.0318 0.7062 0.049 Uiso 1 1 calc R . .
C50 C 0.9980(5) 0.9972(3) 0.6475(3) 0.0429(18) Uani 1 1 d . . .
H50 H 0.9930 1.0174 0.6131 0.051 Uiso 1 1 calc R . .
C51 C 0.9427(5) 0.9595(3) 0.6439(3) 0.0446(18) Uani 1 1 d . . .
H51 H 0.8973 0.9536 0.6073 0.054 Uiso 1 1 calc R . .
C52 C 0.9536(4) 0.9298(2) 0.6940(3) 0.0385(16) Uani 1 1 d . . .
H52 H 0.9151 0.9034 0.6909 0.046 Uiso 1 1 calc R . .
C101 C 0.6423(4) 0.0662(2) 0.6656(3) 0.0246(13) Uani 1 1 d . . .
H101 H 0.6710 0.0631 0.7081 0.030 Uiso 1 1 calc R . .
C102 C 0.6503(4) 0.1100(2) 0.6355(3) 0.0236(13) Uani 1 1 d . . .
C103 C 0.6993(4) 0.1512(2) 0.6575(3) 0.0300(14) Uani 1 1 d . . .
H103 H 0.7373 0.1562 0.6976 0.036 Uiso 1 1 calc R . .
C104 C 0.6815(4) 0.1834(2) 0.6094(3) 0.0318(15) Uani 1 1 d . . .
H104 H 0.7049 0.2150 0.6099 0.038 Uiso 1 1 calc R . .
C105 C 0.6222(4) 0.1606(2) 0.5596(3) 0.0259(13) Uani 1 1 d . . .
C106 C 0.5805(4) 0.1801(2) 0.4962(3) 0.0292(14) Uani 1 1 d . . .
C107 C 0.6091(4) 0.1495(2) 0.4494(3) 0.0358(16) Uani 1 1 d . . .
H10D H 0.6717 0.1511 0.4594 0.054 Uiso 1 1 calc R . .
H10E H 0.5823 0.1625 0.4083 0.054 Uiso 1 1 calc R . .
H10F H 0.5914 0.1157 0.4509 0.054 Uiso 1 1 calc R . .
C108 C 0.6076(5) 0.2335(2) 0.4921(3) 0.0465(19) Uani 1 1 d . . .
H10A H 0.5903 0.2532 0.5217 0.070 Uiso 1 1 calc R . .
H10B H 0.5794 0.2459 0.4508 0.070 Uiso 1 1 calc R . .
H10C H 0.6700 0.2353 0.5010 0.070 Uiso 1 1 calc R . .
C109 C 0.4835(4) 0.1771(2) 0.4808(3) 0.0287(14) Uani 1 1 d . . .
C110 C 0.4223(4) 0.2143(2) 0.4627(3) 0.0323(15) Uani 1 1 d . . .
H110 H 0.4339 0.2476 0.4575 0.039 Uiso 1 1 calc R . .
C111 C 0.3424(4) 0.1941(2) 0.4536(3) 0.0313(15) Uani 1 1 d . . .
H111 H 0.2886 0.2103 0.4409 0.038 Uiso 1 1 calc R . .
C112 C 0.3568(4) 0.1445(2) 0.4671(3) 0.0273(14) Uani 1 1 d . . .
C113 C 0.2988(4) 0.1068(2) 0.4678(2) 0.0231(13) Uani 1 1 d . . .
H113 H 0.2396 0.1142 0.4596 0.028 Uiso 1 1 calc R . .
C114 C 0.2650(3) 0.0283(2) 0.4903(3) 0.0216(12) Uani 1 1 d . . .
C115 C 0.2501(3) -0.01549(19) 0.4582(2) 0.0221(12) Uani 1 1 d . . .
H115 H 0.2816 -0.0225 0.4309 0.026 Uiso 1 1 calc R . .
C116 C 0.1911(4) -0.0490(2) 0.4649(3) 0.0245(13) Uani 1 1 d . . .
C117 C 0.1763(4) -0.0956(2) 0.4293(3) 0.0332(15) Uani 1 1 d . . .
H11D H 0.2158 -0.0974 0.4049 0.050 Uiso 1 1 calc R . .
H11E H 0.1170 -0.0966 0.4021 0.050 Uiso 1 1 calc R . .
H11F H 0.1866 -0.1231 0.4575 0.050 Uiso 1 1 calc R . .
C118 C 0.0796(4) -0.0745(2) 0.5140(3) 0.0386(17) Uani 1 1 d . . .
H11A H 0.0520 -0.0610 0.5426 0.058 Uiso 1 1 calc R . .
H11B H 0.1079 -0.1051 0.5302 0.058 Uiso 1 1 calc R . .
H11C H 0.0362 -0.0803 0.4745 0.058 Uiso 1 1 calc R . .
C119 C 0.1452(4) -0.0392(2) 0.5060(3) 0.0261(13) Uani 1 1 d . . .
C120 C 0.1629(4) 0.0027(2) 0.5399(3) 0.0266(13) Uani 1 1 d . . .
H120 H 0.1329 0.0088 0.5685 0.032 Uiso 1 1 calc R . .
C121 C 0.2231(4) 0.0368(2) 0.5341(3) 0.0235(13) Uani 1 1 d . . .
C122 C 0.1788(4) 0.1014(2) 0.5822(3) 0.0300(14) Uani 1 1 d . . .
H122 H 0.1245 0.0980 0.5518 0.036 Uiso 1 1 calc R . .
C123 C 0.1853(4) 0.1327(2) 0.6315(3) 0.0346(16) Uani 1 1 d . . .
C124 C 0.1248(4) 0.1628(2) 0.6440(3) 0.0391(17) Uani 1 1 d . . .
H124 H 0.0668 0.1669 0.6194 0.047 Uiso 1 1 calc R . .
C125 C 0.1646(5) 0.1856(2) 0.6984(3) 0.0431(18) Uani 1 1 d . . .
H125 H 0.1396 0.2087 0.7183 0.052 Uiso 1 1 calc R . .
C126 C 0.2497(4) 0.1680(2) 0.7191(3) 0.0327(15) Uani 1 1 d . . .
C127 C 0.3202(4) 0.1850(3) 0.7759(3) 0.0454(19) Uani 1 1 d . . .
C128 C 0.2784(5) 0.1988(3) 0.8249(4) 0.069(3) Uani 1 1 d . . .
H12A H 0.2509 0.1701 0.8358 0.104 Uiso 1 1 calc R . .
H12B H 0.2352 0.2240 0.8089 0.104 Uiso 1 1 calc R . .
H12C H 0.3225 0.2109 0.8612 0.104 Uiso 1 1 calc R . .
C129 C 0.3599(5) 0.2319(3) 0.7588(4) 0.071(3) Uani 1 1 d . . .
H12D H 0.4103 0.2413 0.7927 0.107 Uiso 1 1 calc R . .
H12E H 0.3173 0.2581 0.7504 0.107 Uiso 1 1 calc R . .
H12F H 0.3772 0.2259 0.7223 0.107 Uiso 1 1 calc R . .
C130 C 0.3899(4) 0.1485(2) 0.8018(3) 0.0358(16) Uani 1 1 d . . .
C131 C 0.4404(5) 0.1450(3) 0.8625(4) 0.065(3) Uani 1 1 d . . .
H131 H 0.4334 0.1635 0.8955 0.078 Uiso 1 1 calc R . .
C132 C 0.5022(5) 0.1101(3) 0.8665(4) 0.059(2) Uani 1 1 d . . .
H132 H 0.5461 0.1002 0.9023 0.071 Uiso 1 1 calc R . .
C133 C 0.4871(4) 0.0925(2) 0.8077(3) 0.0362(16) Uani 1 1 d . . .
C134 C 0.5288(4) 0.0550(2) 0.7866(3) 0.0315(15) Uani 1 1 d . . .
H134 H 0.5732 0.0375 0.8154 0.038 Uiso 1 1 calc R . .
C135 C 0.5418(4) -0.0025(2) 0.7170(3) 0.0252(13) Uani 1 1 d . . .
C136 C 0.5307(4) -0.0433(2) 0.7496(3) 0.0353(16) Uani 1 1 d . . .
H136 H 0.5034 -0.0392 0.7801 0.042 Uiso 1 1 calc R . .
C137 C 0.5572(5) -0.0895(2) 0.7398(3) 0.0405(17) Uani 1 1 d . . .
C138 C 0.5427(6) -0.1316(3) 0.7771(4) 0.073(3) Uani 1 1 d . . .
H13A H 0.5100 -0.1206 0.8038 0.110 Uiso 1 1 calc R . .
H13B H 0.5982 -0.1446 0.8020 0.110 Uiso 1 1 calc R . .
H13C H 0.5104 -0.1570 0.7498 0.110 Uiso 1 1 calc R . .
C139 C 0.6251(5) -0.1451(2) 0.6810(3) 0.049(2) Uani 1 1 d . . .
H13D H 0.5747 -0.1654 0.6623 0.074 Uiso 1 1 calc R . .
H13E H 0.6604 -0.1601 0.7190 0.074 Uiso 1 1 calc R . .
H13F H 0.6590 -0.1418 0.6528 0.074 Uiso 1 1 calc R . .
C140 C 0.5964(4) -0.0958(2) 0.6945(3) 0.0350(16) Uani 1 1 d . . .
C141 C 0.6062(4) -0.0562(2) 0.6606(3) 0.0274(14) Uani 1 1 d . . .
H141 H 0.6306 -0.0609 0.6286 0.033 Uiso 1 1 calc R . .
C142 C 0.5812(3) -0.0093(2) 0.6719(2) 0.0228(13) Uani 1 1 d . . .
C143 C 0.3019(4) 0.0053(3) 0.7359(3) 0.0466(19) Uani 1 1 d . . .
H143 H 0.2953 0.0336 0.7575 0.056 Uiso 1 1 calc R . .
C144 C 0.2851(5) -0.0397(3) 0.7567(4) 0.061(2) Uani 1 1 d . . .
H144 H 0.2683 -0.0425 0.7925 0.073 Uiso 1 1 calc R . .
C145 C 0.2933(5) -0.0798(3) 0.7244(4) 0.063(2) Uani 1 1 d . . .
H145 H 0.2823 -0.1111 0.7377 0.075 Uiso 1 1 calc R . .
C146 C 0.3176(5) -0.0750(3) 0.6727(4) 0.052(2) Uani 1 1 d . . .
H146 H 0.3224 -0.1027 0.6494 0.062 Uiso 1 1 calc R . .
C147 C 0.3346(4) -0.0294(2) 0.6554(3) 0.0376(16) Uani 1 1 d . . .
H147 H 0.3524 -0.0260 0.6200 0.045 Uiso 1 1 calc R . .
N110 N 0.4133(11) 0.1710(6) 0.6403(9) 0.037(4) Uani 0.503(17) 1 d PU A 1
C148 C 0.3559(10) 0.2068(5) 0.6157(7) 0.038(4) Uani 0.503(17) 1 d PU A 1
H148 H 0.2966 0.1987 0.6022 0.046 Uiso 0.503(17) 1 calc PR A 1
C149 C 0.3784(11) 0.2541(5) 0.6091(7) 0.040(4) Uani 0.503(17) 1 d PU A 1
H149 H 0.3362 0.2785 0.5936 0.047 Uiso 0.503(17) 1 calc PR A 1
C150 C 0.4633(12) 0.2644(8) 0.6257(10) 0.044(4) Uani 0.503(17) 1 d PU A 1
H150 H 0.4808 0.2962 0.6185 0.053 Uiso 0.503(17) 1 calc PR A 1
C151 C 0.5239(11) 0.2313(6) 0.6518(11) 0.054(4) Uani 0.503(17) 1 d PU A 1
H151 H 0.5829 0.2399 0.6652 0.064 Uiso 0.503(17) 1 calc PR A 1
C152 C 0.4968(11) 0.1822(6) 0.6591(10) 0.045(4) Uani 0.503(17) 1 d PU A 1
H152 H 0.5383 0.1580 0.6772 0.054 Uiso 0.503(17) 1 calc PR A 1
C200 C 0.3931(10) 0.0682(8) 0.0396(9) 0.177(9) Uani 1 1 d . . .
H200 H 0.3324 0.0712 0.0234 0.212 Uiso 1 1 calc R . .
C201 C 0.4434(12) 0.1078(6) 0.0376(8) 0.163(8) Uani 1 1 d . . .
H201 H 0.4176 0.1372 0.0193 0.196 Uiso 1 1 calc R . .
C202 C 0.5195(10) 0.1050(6) 0.0591(8) 0.165(8) Uani 1 1 d . . .
H202 H 0.5537 0.1334 0.0629 0.198 Uiso 1 1 calc R . .
C203 C 0.5561(9) 0.0635(7) 0.0772(10) 0.208(11) Uani 1 1 d . . .
H203 H 0.6167 0.0614 0.0863 0.249 Uiso 1 1 calc R . .
C204 C 0.5159(9) 0.0257(5) 0.0835(6) 0.118(5) Uani 1 1 d . . .
H204 H 0.5467 -0.0025 0.1018 0.142 Uiso 1 1 calc R . .
N1 N 0.8683(3) 0.94463(17) 0.8893(2) 0.0257(11) Uani 1 1 d . . .
N2 N 0.9160(3) 1.02527(16) 0.8336(2) 0.0234(11) Uani 1 1 d . . .
N3 N 1.0971(3) 1.04442(16) 0.8823(2) 0.0221(10) Uani 1 1 d . . .
N4 N 1.1752(3) 0.97831(16) 0.9707(2) 0.0224(11) Uani 1 1 d . . .
N5 N 1.2036(3) 0.88621(17) 0.9148(2) 0.0244(11) Uani 1 1 d . . .
N6 N 1.1656(3) 0.84659(17) 0.7952(2) 0.0303(12) Uani 1 1 d . . .
N7 N 0.9886(3) 0.82543(18) 0.7491(2) 0.0327(13) Uani 1 1 d . . .
N8 N 0.9073(3) 0.85607(17) 0.8314(2) 0.0249(11) Uani 1 1 d . . .
N9 N 1.0745(3) 0.80787(19) 0.9019(3) 0.0357(13) Uani 1 1 d U . .
N10 N 1.0161(3) 0.93664(17) 0.7470(2) 0.0283(12) Uani 1 1 d . . .
N101 N 0.5959(3) 0.02986(15) 0.6359(2) 0.0186(10) Uani 1 1 d . A .
N102 N 0.6028(3) 0.11553(16) 0.5754(2) 0.0203(10) Uani 1 1 d . A .
N103 N 0.4438(3) 0.13450(16) 0.4835(2) 0.0218(10) Uani 1 1 d . A .
N104 N 0.3246(3) 0.06210(16) 0.4794(2) 0.0217(10) Uani 1 1 d . A .
N105 N 0.2437(3) 0.07690(16) 0.5761(2) 0.0242(11) Uani 1 1 d . A .
N106 N 0.2625(3) 0.13615(17) 0.6779(3) 0.0322(13) Uani 1 1 d . A .
N107 N 0.4189(3) 0.11678(17) 0.7680(2) 0.0299(12) Uani 1 1 d . A .
N108 N 0.5089(3) 0.04315(16) 0.7290(2) 0.0238(11) Uani 1 1 d . A .
N109 N 0.3271(3) 0.01017(18) 0.6865(2) 0.0324(12) Uani 1 1 d . A .
N200 N 0.4266(10) 0.0253(6) 0.0636(5) 0.160(5) Uani 1 1 d . . .
O1 O 1.0358(2) 0.93773(13) 0.88450(17) 0.0252(9) Uani 1 1 d . . .
O2 O 0.9890(2) 1.04308(12) 0.97915(16) 0.0199(8) Uani 1 1 d . . .
O3 O 0.4361(2) 0.07096(13) 0.59507(16) 0.0238(9) Uani 1 1 d . A .
O4 O 0.5383(2) 0.02971(12) 0.47509(16) 0.0182(8) Uani 1 1 d . . .
Er1 Er 1.056266(17) 0.876329(9) 0.832416(12) 0.02243(6) Uani 1 1 d . . .
Er2 Er 0.377762(17) 0.089657(9) 0.665530(12) 0.02268(6) Uani 1 1 d . . .
U1 U 1.012029(13) 0.991656(7) 0.928883(9) 0.01851(5) Uani 1 1 d . . .
U2 U 0.487944(13) 0.054657(7) 0.534566(9) 0.01676(5) Uani 1 1 d . . .
C157 C 0.5134(9) 0.1856(6) 0.6985(10) 0.044(4) Uani 0.497(17) 1 d PU A 2
H252 H 0.5415 0.1653 0.7321 0.053 Uiso 0.497(17) 1 calc PR A 2
N111 N 0.4449(11) 0.1672(6) 0.6533(9) 0.033(4) Uani 0.497(17) 1 d PU A 2
C156 C 0.5429(11) 0.2314(6) 0.6975(11) 0.056(5) Uani 0.497(17) 1 d PU A 2
H251 H 0.5923 0.2428 0.7283 0.068 Uiso 0.497(17) 1 calc PR A 2
C154 C 0.4291(18) 0.2438(7) 0.6037(9) 0.065(5) Uani 0.497(17) 1 d PU A 2
H249 H 0.3975 0.2634 0.5704 0.078 Uiso 0.497(17) 1 calc PR A 2
C153 C 0.4090(16) 0.1950(7) 0.6099(9) 0.062(5) Uani 0.497(17) 1 d PU A 2
H248 H 0.3632 0.1816 0.5778 0.075 Uiso 0.497(17) 1 calc PR A 2
C155 C 0.4980(15) 0.2609(8) 0.6495(10) 0.051(4) Uani 0.497(17) 1 d PU A 2
H250 H 0.5153 0.2937 0.6484 0.061 Uiso 0.497(17) 1 calc PR A 2
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'
Er Er -0.2586 4.9576 '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 122.0(5) . .
N1 C1 H1 119.0 . .
C2 C1 H1 119.0 . .
N2 C2 C3 109.5(5) . .
N2 C2 C1 119.8(5) . .
C3 C2 C1 130.6(6) . .
C4 C3 C2 106.4(6) . .
C4 C3 H3 126.8 . .
C2 C3 H3 126.8 . .
C3 C4 C5 107.8(6) . .
C3 C4 H4 126.1 . .
C5 C4 H4 126.1 . .
N2 C5 C4 110.0(5) . .
N2 C5 C6 120.9(5) . .
C4 C5 C6 129.1(5) . .
C5 C6 C9 108.8(5) . .
C5 C6 C8 110.6(5) . .
C9 C6 C8 109.2(5) . .
C5 C6 C7 110.3(5) . .
C9 C6 C7 108.8(5) . .
C8 C6 C7 109.1(5) . .
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 110.3(5) . .
N3 C9 C6 120.4(5) . .
C10 C9 C6 129.4(6) . .
C11 C10 C9 107.0(6) . .
C11 C10 H10 126.5 . .
C9 C10 H10 126.5 . .
C12 C11 C10 106.2(5) . .
C12 C11 H11 126.9 . .
C10 C11 H11 126.9 . .
C11 C12 N3 110.8(5) . .
C11 C12 C13 131.4(6) . .
N3 C12 C13 117.7(5) . .
N4 C13 C12 121.2(5) . .
N4 C13 H13 119.4 . .
C12 C13 H13 119.4 . .
C15 C14 C21 117.9(5) . .
C15 C14 N4 119.7(5) . .
C21 C14 N4 122.3(5) . .
C16 C15 C14 123.5(5) . .
C16 C15 H15 118.3 . .
C14 C15 H15 118.3 . .
C15 C16 C19 118.4(5) . .
C15 C16 C17 120.7(6) . .
C19 C16 C17 120.8(5) . .
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 118.4(5) . .
C20 C19 C18 120.9(6) . .
C16 C19 C18 120.7(6) . .
C19 C20 C21 123.9(6) . .
C19 C20 H20 118.1 . .
C21 C20 H20 118.1 . .
C20 C21 C14 117.9(5) . .
C20 C21 N5 119.2(5) . .
C14 C21 N5 122.8(5) . .
N5 C22 C23 123.1(6) . .
N5 C22 H22 118.5 . .
C23 C22 H22 118.5 . .
N6 C23 C24 109.4(6) . .
N6 C23 C22 121.9(6) . .
C24 C23 C22 127.5(6) . .
C23 C24 C25 106.6(7) . .
C23 C24 H24 126.7 . .
C25 C24 H24 126.7 . .
C26 C25 C24 107.2(6) . .
C26 C25 H25 126.4 . .
C24 C25 H25 126.4 . .
N6 C26 C25 109.6(6) . .
N6 C26 C27 124.5(6) . .
C25 C26 C27 125.7(6) . .
C30 C27 C26 114.5(6) . .
C30 C27 C28 108.6(6) . .
C26 C27 C28 109.4(7) . .
C30 C27 C29 108.5(7) . .
C26 C27 C29 108.2(6) . .
C28 C27 C29 107.3(7) . .
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 109.5(7) . .
N7 C30 C27 124.9(6) . .
C31 C30 C27 125.5(7) . .
C32 C31 C30 107.5(7) . .
C32 C31 H31 126.2 . .
C30 C31 H31 126.2 . .
C33 C32 C31 106.1(7) . .
C33 C32 H32 127.0 . .
C31 C32 H32 127.0 . .
N7 C33 C32 110.4(6) . .
N7 C33 C34 118.8(6) . .
C32 C33 C34 130.8(7) . .
N8 C34 C33 121.9(6) . .
N8 C34 H34 119.0 . .
C33 C34 H34 119.0 . .
C36 C35 C42 117.9(5) . .
C36 C35 N8 118.4(5) . .
C42 C35 N8 123.5(5) . .
C37 C36 C35 123.4(6) . .
C37 C36 H36 118.3 . .
C35 C36 H36 118.3 . .
C36 C37 C40 118.1(6) . .
C36 C37 C38 119.5(6) . .
C40 C37 C38 122.2(6) . .
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 . .
C41 C40 C37 119.6(6) . .
C41 C40 C39 120.5(6) . .
C37 C40 C39 119.9(6) . .
C42 C41 C40 122.3(6) . .
C42 C41 H41 118.8 . .
C40 C41 H41 118.8 . .
C41 C42 C35 118.6(5) . .
C41 C42 N1 120.3(5) . .
C35 C42 N1 121.0(5) . .
N9 C43 C44 122.4(8) . .
N9 C43 H43 118.8 . .
C44 C43 H43 118.8 . .
C45 C44 C43 118.4(9) . .
C45 C44 H44 120.8 . .
C43 C44 H44 120.8 . .
C46 C45 C44 119.3(8) . .
C46 C45 H45 120.3 . .
C44 C45 H45 120.3 . .
C47 C46 C45 119.6(9) . .
C47 C46 H46 120.2 . .
C45 C46 H46 120.2 . .
N9 C47 C46 122.5(9) . .
N9 C47 H47 118.7 . .
C46 C47 H47 118.7 . .
N10 C48 C49 123.8(6) . .
N10 C48 H48 118.1 . .
C49 C48 H48 118.1 . .
C48 C49 C50 118.5(7) . .
C48 C49 H49 120.7 . .
C50 C49 H49 120.7 . .
C51 C50 C49 118.7(6) . .
C51 C50 H50 120.7 . .
C49 C50 H50 120.7 . .
C50 C51 C52 119.3(7) . .
C50 C51 H51 120.4 . .
C52 C51 H51 120.4 . .
N10 C52 C51 122.9(7) . .
N10 C52 H52 118.6 . .
C51 C52 H52 118.6 . .
N101 C101 C102 121.3(5) . .
N101 C101 H101 119.3 . .
C102 C101 H101 119.3 . .
N102 C102 C103 111.1(5) . .
N102 C102 C101 118.7(5) . .
C103 C102 C101 130.3(6) . .
C104 C103 C102 106.1(6) . .
C104 C103 H103 127.0 . .
C102 C103 H103 127.0 . .
C103 C104 C105 107.0(5) . .
C103 C104 H104 126.5 . .
C105 C104 H104 126.5 . .
N102 C105 C104 110.4(5) . .
N102 C105 C106 120.8(5) . .
C104 C105 C106 128.8(5) . .
C105 C106 C109 109.5(5) . .
C105 C106 C108 110.2(5) . .
C109 C106 C108 109.6(5) . .
C105 C106 C107 109.7(5) . .
C109 C106 C107 109.2(5) . .
C108 C106 C107 108.6(5) . .
C106 C107 H10D 109.5 . .
C106 C107 H10E 109.5 . .
H10D C107 H10E 109.5 . .
C106 C107 H10F 109.5 . .
H10D C107 H10F 109.5 . .
H10E C107 H10F 109.5 . .
C106 C108 H10A 109.5 . .
C106 C108 H10B 109.5 . .
H10A C108 H10B 109.5 . .
C106 C108 H10C 109.5 . .
H10A C108 H10C 109.5 . .
H10B C108 H10C 109.5 . .
N103 C109 C110 109.8(5) . .
N103 C109 C106 121.4(5) . .
C110 C109 C106 128.9(5) . .
C111 C110 C109 107.8(5) . .
C111 C110 H110 126.1 . .
C109 C110 H110 126.1 . .
C110 C111 C112 105.9(5) . .
C110 C111 H111 127.0 . .
C112 C111 H111 127.0 . .
N103 C112 C111 110.1(5) . .
N103 C112 C113 119.3(5) . .
C111 C112 C113 130.6(6) . .
N104 C113 C112 121.4(5) . .
N104 C113 H113 119.3 . .
C112 C113 H113 119.3 . .
C115 C114 C121 118.6(5) . .
C115 C114 N104 119.2(5) . .
C121 C114 N104 122.1(5) . .
C116 C115 C114 122.2(5) . .
C116 C115 H115 118.9 . .
C114 C115 H115 118.9 . .
C115 C116 C119 119.1(5) . .
C115 C116 C117 120.7(5) . .
C119 C116 C117 120.2(5) . .
C116 C117 H11D 109.5 . .
C116 C117 H11E 109.5 . .
H11D C117 H11E 109.5 . .
C116 C117 H11F 109.5 . .
H11D C117 H11F 109.5 . .
H11E C117 H11F 109.5 . .
C119 C118 H11A 109.5 . .
C119 C118 H11B 109.5 . .
H11A C118 H11B 109.5 . .
C119 C118 H11C 109.5 . .
H11A C118 H11C 109.5 . .
H11B C118 H11C 109.5 . .
C120 C119 C116 118.8(5) . .
C120 C119 C118 120.5(5) . .
C116 C119 C118 120.6(5) . .
C119 C120 C121 122.8(5) . .
C119 C120 H120 118.6 . .
C121 C120 H120 118.6 . .
C120 C121 C114 118.2(5) . .
C120 C121 N105 118.5(5) . .
C114 C121 N105 123.1(5) . .
N105 C122 C123 123.0(6) . .
N105 C122 H122 118.5 . .
C123 C122 H122 118.5 . .
N106 C123 C124 109.8(6) . .
N106 C123 C122 119.4(5) . .
C124 C123 C122 130.8(7) . .
C125 C124 C123 107.1(6) . .
C125 C124 H124 126.4 . .
C123 C124 H124 126.4 . .
C124 C125 C126 107.0(6) . .
C124 C125 H125 126.5 . .
C126 C125 H125 126.5 . .
N106 C126 C125 109.6(6) . .
N106 C126 C127 123.9(6) . .
C125 C126 C127 126.3(6) . .
C130 C127 C126 114.7(5) . .
C130 C127 C128 109.3(7) . .
C126 C127 C128 108.3(6) . .
C130 C127 C129 109.3(6) . .
C126 C127 C129 107.6(6) . .
C128 C127 C129 107.3(6) . .
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 . .
N107 C130 C131 109.2(6) . .
N107 C130 C127 124.4(6) . .
C131 C130 C127 126.1(6) . .
C132 C131 C130 108.2(7) . .
C132 C131 H131 125.9 . .
C130 C131 H131 125.9 . .
C131 C132 C133 105.9(7) . .
C131 C132 H132 127.1 . .
C133 C132 H132 127.1 . .
N107 C133 C132 109.8(6) . .
N107 C133 C134 120.6(6) . .
C132 C133 C134 129.5(7) . .
N108 C134 C133 122.6(6) . .
N108 C134 H134 118.7 . .
C133 C134 H134 118.7 . .
C136 C135 C142 117.5(5) . .
C136 C135 N108 119.0(5) . .
C142 C135 N108 123.5(5) . .
C137 C136 C135 123.4(6) . .
C137 C136 H136 118.3 . .
C135 C136 H136 118.3 . .
C136 C137 C140 118.5(6) . .
C136 C137 C138 120.0(6) . .
C140 C137 C138 121.4(6) . .
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 119.1(6) . .
C141 C140 C139 119.9(6) . .
C137 C140 C139 121.0(6) . .
C140 C141 C142 122.1(6) . .
C140 C141 H141 119.0 . .
C142 C141 H141 119.0 . .
C135 C142 C141 119.3(5) . .
C135 C142 N101 122.1(5) . .
C141 C142 N101 118.5(5) . .
N109 C143 C144 122.2(7) . .
N109 C143 H143 118.9 . .
C144 C143 H143 118.9 . .
C145 C144 C143 118.2(7) . .
C145 C144 H144 120.9 . .
C143 C144 H144 120.9 . .
C144 C145 C146 119.9(8) . .
C144 C145 H145 120.0 . .
C146 C145 H145 120.0 . .
C147 C146 C145 118.7(8) . .
C147 C146 H146 120.6 . .
C145 C146 H146 120.6 . .
N109 C147 C146 122.1(7) . .
N109 C147 H147 119.0 . .
C146 C147 H147 119.0 . .
C152 N110 C148 118.3(16) . .
C152 N110 Er2 115.6(13) . .
C148 N110 Er2 125.6(11) . .
N110 C148 C149 123.9(14) . .
N110 C148 H148 118.0 . .
C149 C148 H148 118.0 . .
C150 C149 C148 117.1(15) . .
C150 C149 H149 121.5 . .
C148 C149 H149 121.5 . .
C151 C150 C149 122.3(18) . .
C151 C150 H150 118.8 . .
C149 C150 H150 118.8 . .
C150 C151 C152 118.4(15) . .
C150 C151 H151 120.8 . .
C152 C151 H151 120.8 . .
N110 C152 C151 119.8(16) . .
N110 C152 H152 120.1 . .
C151 C152 H152 120.1 . .
N200 C200 C201 122.4(15) . .
N200 C200 H200 118.8 . .
C201 C200 H200 118.8 . .
C202 C201 C200 119.7(16) . .
C202 C201 H201 120.1 . .
C200 C201 H201 120.1 . .
C201 C202 C203 120.6(16) . .
C201 C202 H202 119.7 . .
C203 C202 H202 119.7 . .
C204 C203 C202 123.8(15) . .
C204 C203 H203 118.1 . .
C202 C203 H203 118.1 . .
C203 C204 N200 120.0(14) . .
C203 C204 H204 120.0 . .
N200 C204 H204 120.0 . .
C1 N1 C42 116.8(5) . .
C1 N1 U1 111.0(4) . .
C42 N1 U1 122.4(3) . .
C5 N2 C2 106.4(5) . .
C5 N2 U1 134.8(4) . .
C2 N2 U1 114.5(4) . .
C9 N3 C12 105.8(5) . .
C9 N3 U1 135.6(4) . .
C12 N3 U1 116.9(3) . .
C13 N4 C14 117.6(5) . .
C13 N4 U1 114.9(4) . .
C14 N4 U1 120.0(3) . .
C22 N5 C21 115.0(5) . .
C22 N5 Er1 109.0(4) . .
C21 N5 Er1 130.0(4) . .
C26 N6 C23 107.2(5) . .
C26 N6 Er1 134.0(4) . .
C23 N6 Er1 114.5(4) . .
C30 N7 C33 106.5(5) . .
C30 N7 Er1 134.9(5) . .
C33 N7 Er1 115.1(4) . .
C34 N8 C35 115.9(5) . .
C34 N8 Er1 112.6(4) . .
C35 N8 Er1 128.9(4) . .
C43 N9 C47 117.7(6) . .
C43 N9 Er1 121.5(5) . .
C47 N9 Er1 120.7(5) . .
C48 N10 C52 116.8(5) . .
C48 N10 Er1 118.3(4) . .
C52 N10 Er1 124.3(4) . .
C101 N101 C142 116.6(5) . .
C101 N101 U2 113.5(4) . .
C142 N101 U2 122.8(3) . .
C105 N102 C102 105.5(4) . .
C105 N102 U2 136.8(4) . .
C102 N102 U2 115.7(3) . .
C109 N103 C112 106.5(5) . .
C109 N103 U2 135.5(4) . .
C112 N103 U2 115.4(3) . .
C113 N104 C114 117.2(5) . .
C113 N104 U2 113.3(4) . .
C114 N104 U2 121.4(3) . .
C122 N105 C121 116.2(5) . .
C122 N105 Er2 111.8(4) . .
C121 N105 Er2 128.2(3) . .
C126 N106 C123 106.5(5) . .
C126 N106 Er2 137.3(4) . .
C123 N106 Er2 116.2(4) . .
C130 N107 C133 106.9(5) . .
C130 N107 Er2 137.5(4) . .
C133 N107 Er2 115.4(4) . .
C134 N108 C135 115.2(5) . .
C134 N108 Er2 111.1(4) . .
C135 N108 Er2 129.4(3) . .
C143 N109 C147 118.9(6) . .
C143 N109 Er2 118.3(5) . .
C147 N109 Er2 122.2(4) . .
C200 N200 C204 112.5(15) . .
U1 O1 Er1 177.3(2) . .
U1 O2 U1 107.51(15) . 3_777
U2 O3 Er2 179.4(2) . .
U2 O4 U2 108.15(15) . 3_656
O1 Er1 N7 143.45(17) . .
O1 Er1 N6 137.72(16) . .
N7 Er1 N6 73.53(18) . .
O1 Er1 N9 104.50(17) . .
N7 Er1 N9 90.31(18) . .
N6 Er1 N9 91.02(18) . .
O1 Er1 N8 81.98(15) . .
N7 Er1 N8 69.38(17) . .
N6 Er1 N8 140.29(16) . .
N9 Er1 N8 75.69(16) . .
O1 Er1 N10 82.46(15) . .
N7 Er1 N10 79.16(17) . .
N6 Er1 N10 89.37(17) . .
N9 Er1 N10 168.90(17) . .
N8 Er1 N10 97.07(16) . .
O1 Er1 N5 77.25(14) . .
N7 Er1 N5 139.30(17) . .
N6 Er1 N5 70.23(16) . .
N9 Er1 N5 72.63(16) . .
N8 Er1 N5 135.94(15) . .
N10 Er1 N5 117.81(16) . .
O3 Er2 N107 139.54(16) . .
O3 Er2 N106 139.87(17) . .
N107 Er2 N106 72.57(18) . .
O3 Er2 N110 81.2(5) . .
N107 Er2 N110 86.1(5) . .
N106 Er2 N110 77.9(5) . .
O3 Er2 N109 100.93(15) . .
N107 Er2 N109 95.41(17) . .
N106 Er2 N109 97.36(17) . .
N110 Er2 N109 174.3(4) . .
O3 Er2 N111 78.8(4) . .
N107 Er2 N111 80.9(5) . .
N106 Er2 N111 86.9(4) . .
N110 Er2 N111 12.2(4) . .
N109 Er2 N111 173.3(4) . .
O3 Er2 N105 80.28(14) . .
N107 Er2 N105 139.81(16) . .
N106 Er2 N105 69.50(16) . .
N110 Er2 N105 98.4(4) . .
N109 Er2 N105 76.95(16) . .
N111 Er2 N105 109.5(4) . .
O3 Er2 N108 79.77(14) . .
N107 Er2 N108 69.89(16) . .
N106 Er2 N108 140.03(17) . .
N110 Er2 N108 112.3(4) . .
N109 Er2 N108 73.29(16) . .
N111 Er2 N108 100.1(4) . .
N105 Er2 N108 139.98(15) . .
O1 U1 O2 175.64(16) . .
O1 U1 O2 103.16(14) . 3_777
O2 U1 O2 72.49(15) . 3_777
O1 U1 N2 89.72(16) . .
O2 U1 N2 93.96(15) . .
O2 U1 N2 141.82(14) 3_777 .
O1 U1 N3 89.33(16) . .
O2 U1 N3 94.05(15) . .
O2 U1 N3 143.01(14) 3_777 .
N2 U1 N3 71.43(15) . .
O1 U1 N4 74.25(15) . .
O2 U1 N4 104.65(15) . .
O2 U1 N4 84.25(14) 3_777 .
N2 U1 N4 133.93(15) . .
N3 U1 N4 65.61(15) . .
O1 U1 N1 74.77(16) . .
O2 U1 N1 104.53(15) . .
O2 U1 N1 81.55(14) 3_777 .
N2 U1 N1 67.23(15) . .
N3 U1 N1 135.43(15) . .
N4 U1 N1 141.78(15) . .
O1 U1 U1 135.58(12) . 3_777
O2 U1 U1 40.08(10) . 3_777
O2 U1 U1 32.42(8) 3_777 3_777
N2 U1 U1 124.71(11) . 3_777
N3 U1 U1 125.37(11) . 3_777
N4 U1 U1 94.27(10) . 3_777
N1 U1 U1 92.39(11) . 3_777
O3 U2 O4 172.84(15) . .
O3 U2 O4 101.07(14) . 3_656
O4 U2 O4 71.85(15) . 3_656
O3 U2 N102 91.22(15) . .
O4 U2 N102 93.95(14) . .
O4 U2 N102 142.80(13) 3_656 .
O3 U2 N103 90.42(15) . .
O4 U2 N103 96.00(15) . .
O4 U2 N103 143.70(13) 3_656 .
N102 U2 N103 69.96(15) . .
O3 U2 N101 74.43(15) . .
O4 U2 N101 103.12(14) . .
O4 U2 N101 82.93(13) 3_656 .
N102 U2 N101 66.65(14) . .
N103 U2 N101 133.36(14) . .
O3 U2 N104 73.28(15) . .
O4 U2 N104 106.47(14) . .
O4 U2 N104 84.33(13) 3_656 .
N102 U2 N104 132.86(14) . .
N103 U2 N104 66.05(14) . .
N101 U2 N104 142.12(14) . .
O3 U2 U2 132.85(11) . 3_656
O4 U2 U2 40.07(10) . 3_656
O4 U2 U2 31.78(8) 3_656 3_656
N102 U2 U2 125.29(10) . 3_656
N103 U2 U2 127.15(11) . 3_656
N101 U2 U2 92.43(10) . 3_656
N104 U2 U2 95.18(10) . 3_656
C156 C157 N111 122.9(17) . .
C156 C157 H252 118.5 . .
N111 C157 H252 118.5 . .
C153 N111 C157 116.9(18) . .
C153 N111 Er2 120.4(15) . .
C157 N111 Er2 121.6(12) . .
C157 C156 C155 117.2(17) . .
C157 C156 H251 121.4 . .
C155 C156 H251 121.4 . .
C155 C154 C153 114.6(18) . .
C155 C154 H249 122.7 . .
C153 C154 H249 122.7 . .
N111 C153 C154 126.9(18) . .
N111 C153 H248 116.5 . .
C154 C153 H248 116.5 . .
C154 C155 C156 121.3(18) . .
C154 C155 H250 119.3 . .
C156 C155 H250 119.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.317(7) .
C1 C2 1.404(8) .
C1 H1 0.9500 .
C2 N2 1.391(7) .
C2 C3 1.401(8) .
C3 C4 1.380(9) .
C3 H3 0.9500 .
C4 C5 1.394(8) .
C4 H4 0.9500 .
C5 N2 1.357(7) .
C5 C6 1.519(8) .
C6 C9 1.526(8) .
C6 C8 1.527(8) .
C6 C7 1.539(8) .
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 1.361(7) .
C9 C10 1.404(8) .
C10 C11 1.395(9) .
C10 H10 0.9500 .
C11 C12 1.386(8) .
C11 H11 0.9500 .
C12 N3 1.389(7) .
C12 C13 1.419(8) .
C13 N4 1.281(7) .
C13 H13 0.9500 .
C14 C15 1.397(8) .
C14 C21 1.408(8) .
C14 N4 1.428(7) .
C15 C16 1.385(8) .
C15 H15 0.9500 .
C16 C19 1.405(8) .
C16 C17 1.479(8) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.496(8) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C20 1.373(8) .
C20 C21 1.400(8) .
C20 H20 0.9500 .
C21 N5 1.433(7) .
C22 N5 1.300(7) .
C22 C23 1.412(8) .
C22 H22 0.9500 .
C23 N6 1.370(8) .
C23 C24 1.388(9) .
C24 C25 1.392(10) .
C24 H24 0.9500 .
C25 C26 1.382(9) .
C25 H25 0.9500 .
C26 N6 1.360(7) .
C26 C27 1.508(10) .
C27 C30 1.500(10) .
C27 C28 1.521(10) .
C27 C29 1.538(10) .
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 1.359(8) .
C30 C31 1.387(10) .
C31 C32 1.386(11) .
C31 H31 0.9500 .
C32 C33 1.383(9) .
C32 H32 0.9500 .
C33 N7 1.369(8) .
C33 C34 1.413(9) .
C34 N8 1.284(7) .
C34 H34 0.9500 .
C35 C36 1.394(8) .
C35 C42 1.416(8) .
C35 N8 1.430(7) .
C36 C37 1.380(9) .
C36 H36 0.9500 .
C37 C40 1.396(9) .
C37 C38 1.490(9) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C40 1.495(9) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 C41 1.390(8) .
C41 C42 1.383(8) .
C41 H41 0.9500 .
C42 N1 1.427(7) .
C43 N9 1.334(9) .
C43 C44 1.372(9) .
C43 H43 0.9500 .
C44 C45 1.368(13) .
C44 H44 0.9500 .
C45 C46 1.358(14) .
C45 H45 0.9500 .
C46 C47 1.348(10) .
C46 H46 0.9500 .
C47 N9 1.341(8) .
C47 H47 0.9500 .
C48 N10 1.330(8) .
C48 C49 1.376(9) .
C48 H48 0.9500 .
C49 C50 1.377(9) .
C49 H49 0.9500 .
C50 C51 1.365(9) .
C50 H50 0.9500 .
C51 C52 1.380(9) .
C51 H51 0.9500 .
C52 N10 1.341(8) .
C52 H52 0.9500 .
C101 N101 1.314(7) .
C101 C102 1.417(8) .
C101 H101 0.9500 .
C102 N102 1.371(7) .
C102 C103 1.392(8) .
C103 C104 1.377(8) .
C103 H103 0.9500 .
C104 C105 1.401(8) .
C104 H104 0.9500 .
C105 N102 1.359(7) .
C105 C106 1.505(8) .
C106 C109 1.519(8) .
C106 C108 1.549(8) .
C106 C107 1.550(8) .
C107 H10D 0.9800 .
C107 H10E 0.9800 .
C107 H10F 0.9800 .
C108 H10A 0.9800 .
C108 H10B 0.9800 .
C108 H10C 0.9800 .
C109 N103 1.351(7) .
C109 C110 1.406(8) .
C110 C111 1.377(8) .
C110 H110 0.9500 .
C111 C112 1.402(8) .
C111 H111 0.9500 .
C112 N103 1.384(7) .
C112 C113 1.412(8) .
C113 N104 1.302(7) .
C113 H113 0.9500 .
C114 C115 1.396(8) .
C114 C121 1.405(8) .
C114 N104 1.425(7) .
C115 C116 1.379(7) .
C115 H115 0.9500 .
C116 C119 1.407(8) .
C116 C117 1.502(8) .
C117 H11D 0.9800 .
C117 H11E 0.9800 .
C117 H11F 0.9800 .
C118 C119 1.501(8) .
C118 H11A 0.9800 .
C118 H11B 0.9800 .
C118 H11C 0.9800 .
C119 C120 1.371(8) .
C120 C121 1.399(8) .
C120 H120 0.9500 .
C121 N105 1.438(7) .
C122 N105 1.304(7) .
C122 C123 1.403(8) .
C122 H122 0.9500 .
C123 N106 1.382(8) .
C123 C124 1.390(8) .
C124 C125 1.372(9) .
C124 H124 0.9500 .
C125 C126 1.411(9) .
C125 H125 0.9500 .
C126 N106 1.357(7) .
C126 C127 1.525(9) .
C127 C130 1.499(10) .
C127 C128 1.538(9) .
C127 C129 1.552(10) .
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 N107 1.350(7) .
C130 C131 1.390(10) .
C131 C132 1.378(11) .
C131 H131 0.9500 .
C132 C133 1.389(9) .
C132 H132 0.9500 .
C133 N107 1.378(8) .
C133 C134 1.405(8) .
C134 N108 1.305(7) .
C134 H134 0.9500 .
C135 C136 1.394(8) .
C135 C142 1.394(8) .
C135 N108 1.430(7) .
C136 C137 1.384(9) .
C136 H136 0.9500 .
C137 C140 1.394(9) .
C137 C138 1.507(9) .
C138 H13A 0.9800 .
C138 H13B 0.9800 .
C138 H13C 0.9800 .
C139 C140 1.500(9) .
C139 H13D 0.9800 .
C139 H13E 0.9800 .
C139 H13F 0.9800 .
C140 C141 1.378(8) .
C141 C142 1.404(8) .
C141 H141 0.9500 .
C142 N101 1.426(7) .
C143 N109 1.330(8) .
C143 C144 1.389(10) .
C143 H143 0.9500 .
C144 C145 1.361(11) .
C144 H144 0.9500 .
C145 C146 1.375(11) .
C145 H145 0.9500 .
C146 C147 1.371(9) .
C146 H146 0.9500 .
C147 N109 1.332(8) .
C147 H147 0.9500 .
N110 C152 1.34(2) .
N110 C148 1.36(2) .
N110 Er2 2.430(18) .
C148 C149 1.375(19) .
C148 H148 0.9500 .
C149 C150 1.35(2) .
C149 H149 0.9500 .
C150 C151 1.34(3) .
C150 H150 0.9500 .
C151 C152 1.45(2) .
C151 H151 0.9500 .
C152 H152 0.9500 .
C200 N200 1.346(19) .
C200 C201 1.38(2) .
C200 H200 0.9500 .
C201 C202 1.193(17) .
C201 H201 0.9500 .
C202 C203 1.299(18) .
C202 H202 0.9500 .
C203 C204 1.264(16) .
C203 H203 0.9500 .
C204 N200 1.391(15) .
C204 H204 0.9500 .
N1 U1 2.593(5) .
N2 U1 2.451(4) .
N3 U1 2.477(4) .
N4 U1 2.571(4) .
N5 Er1 2.581(5) .
N6 Er1 2.359(5) .
N7 Er1 2.358(5) .
N8 Er1 2.497(5) .
N9 Er1 2.431(5) .
N10 Er1 2.502(5) .
N101 U2 2.546(4) .
N102 U2 2.478(4) .
N103 U2 2.493(4) .
N104 U2 2.591(4) .
N105 Er2 2.527(5) .
N106 Er2 2.371(5) .
N107 Er2 2.367(5) .
N108 Er2 2.539(5) .
N109 Er2 2.442(5) .
O1 U1 1.911(4) .
O1 Er1 2.159(4) .
O2 U1 1.939(3) .
O2 U1 2.329(4) 3_777
O3 U2 1.897(4) .
O3 Er2 2.185(4) .
O4 U2 1.932(3) .
O4 U2 2.361(3) 3_656
Er2 N111 2.459(19) .
U1 O2 2.329(4) 3_777
U1 U1 3.4503(4) 3_777
U2 O4 2.361(3) 3_656
U2 U2 3.4853(4) 3_656
C157 C156 1.35(2) .
C157 N111 1.37(2) .
C157 H252 0.9500 .
N111 C153 1.25(2) .
C156 C155 1.39(3) .
C156 H251 0.9500 .
C154 C155 1.37(3) .
C154 C153 1.40(3) .
C154 H249 0.9500 .
C153 H248 0.9500 .
C155 H250 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 N2 3.1(9) . .
N1 C1 C2 C3 179.0(6) . .
N2 C2 C3 C4 -0.7(7) . .
C1 C2 C3 C4 -177.0(6) . .
C2 C3 C4 C5 0.9(7) . .
C3 C4 C5 N2 -0.7(7) . .
C3 C4 C5 C6 -180.0(6) . .
N2 C5 C6 C9 60.2(7) . .
C4 C5 C6 C9 -120.6(7) . .
N2 C5 C6 C8 -179.8(5) . .
C4 C5 C6 C8 -0.6(9) . .
N2 C5 C6 C7 -59.0(7) . .
C4 C5 C6 C7 120.2(7) . .
C5 C6 C9 N3 -55.2(7) . .
C8 C6 C9 N3 -176.0(6) . .
C7 C6 C9 N3 65.0(7) . .
C5 C6 C9 C10 126.0(7) . .
C8 C6 C9 C10 5.2(9) . .
C7 C6 C9 C10 -113.8(7) . .
N3 C9 C10 C11 0.6(7) . .
C6 C9 C10 C11 179.5(6) . .
C9 C10 C11 C12 -0.9(7) . .
C10 C11 C12 N3 1.0(7) . .
C10 C11 C12 C13 176.1(6) . .
C11 C12 C13 N4 177.2(6) . .
N3 C12 C13 N4 -7.9(8) . .
C21 C14 C15 C16 2.4(9) . .
N4 C14 C15 C16 179.1(5) . .
C14 C15 C16 C19 -0.8(9) . .
C14 C15 C16 C17 -179.6(6) . .
C15 C16 C19 C20 -0.5(9) . .
C17 C16 C19 C20 178.2(6) . .
C15 C16 C19 C18 -178.9(6) . .
C17 C16 C19 C18 -0.1(9) . .
C16 C19 C20 C21 0.3(10) . .
C18 C19 C20 C21 178.7(6) . .
C19 C20 C21 C14 1.2(9) . .
C19 C20 C21 N5 -174.7(6) . .
C15 C14 C21 C20 -2.5(8) . .
N4 C14 C21 C20 -179.1(5) . .
C15 C14 C21 N5 173.3(5) . .
N4 C14 C21 N5 -3.4(9) . .
N5 C22 C23 N6 -2.3(10) . .
N5 C22 C23 C24 -168.5(7) . .
N6 C23 C24 C25 -0.5(9) . .
C22 C23 C24 C25 167.2(7) . .
C23 C24 C25 C26 0.0(9) . .
C24 C25 C26 N6 0.5(8) . .
C24 C25 C26 C27 175.2(7) . .
N6 C26 C27 C30 -39.6(9) . .
C25 C26 C27 C30 146.5(7) . .
N6 C26 C27 C28 -161.8(7) . .
C25 C26 C27 C28 24.3(10) . .
N6 C26 C27 C29 81.5(8) . .
C25 C26 C27 C29 -92.3(8) . .
C26 C27 C30 N7 13.8(10) . .
C28 C27 C30 N7 136.4(8) . .
C29 C27 C30 N7 -107.2(8) . .
C26 C27 C30 C31 -166.8(7) . .
C28 C27 C30 C31 -44.2(11) . .
C29 C27 C30 C31 72.2(10) . .
N7 C30 C31 C32 -1.2(10) . .
C27 C30 C31 C32 179.4(8) . .
C30 C31 C32 C33 0.6(11) . .
C31 C32 C33 N7 0.2(10) . .
C31 C32 C33 C34 178.5(8) . .
N7 C33 C34 N8 12.2(10) . .
C32 C33 C34 N8 -166.0(8) . .
C42 C35 C36 C37 -1.7(9) . .
N8 C35 C36 C37 173.3(6) . .
C35 C36 C37 C40 1.0(10) . .
C35 C36 C37 C38 -174.9(7) . .
C36 C37 C40 C41 -1.2(10) . .
C38 C37 C40 C41 174.5(7) . .
C36 C37 C40 C39 179.0(6) . .
C38 C37 C40 C39 -5.3(10) . .
C37 C40 C41 C42 2.4(9) . .
C39 C40 C41 C42 -177.8(6) . .
C40 C41 C42 C35 -3.1(9) . .
C40 C41 C42 N1 179.4(5) . .
C36 C35 C42 C41 2.7(8) . .
N8 C35 C42 C41 -172.1(5) . .
C36 C35 C42 N1 -179.9(5) . .
N8 C35 C42 N1 5.4(8) . .
N9 C43 C44 C45 -0.6(12) . .
C43 C44 C45 C46 -0.2(14) . .
C44 C45 C46 C47 0.8(15) . .
C45 C46 C47 N9 -0.6(14) . .
N10 C48 C49 C50 1.9(10) . .
C48 C49 C50 C51 1.0(10) . .
C49 C50 C51 C52 -2.2(10) . .
C50 C51 C52 N10 0.6(11) . .
N101 C101 C102 N102 5.4(8) . .
N101 C101 C102 C103 -176.1(6) . .
N102 C102 C103 C104 0.0(7) . .
C101 C102 C103 C104 -178.5(6) . .
C102 C103 C104 C105 -0.1(7) . .
C103 C104 C105 N102 0.1(7) . .
C103 C104 C105 C106 178.9(6) . .
N102 C105 C106 C109 54.3(7) . .
C104 C105 C106 C109 -124.4(7) . .
N102 C105 C106 C108 175.0(5) . .
C104 C105 C106 C108 -3.7(9) . .
N102 C105 C106 C107 -65.5(7) . .
C104 C105 C106 C107 115.8(7) . .
C105 C106 C109 N103 -56.3(7) . .
C108 C106 C109 N103 -177.3(6) . .
C107 C106 C109 N103 63.9(7) . .
C105 C106 C109 C110 123.6(7) . .
C108 C106 C109 C110 2.7(9) . .
C107 C106 C109 C110 -116.2(7) . .
N103 C109 C110 C111 -0.3(7) . .
C106 C109 C110 C111 179.8(6) . .
C109 C110 C111 C112 0.5(7) . .
C110 C111 C112 N103 -0.6(7) . .
C110 C111 C112 C113 177.5(6) . .
N103 C112 C113 N104 -4.8(8) . .
C111 C112 C113 N104 177.3(6) . .
C121 C114 C115 C116 4.8(8) . .
N104 C114 C115 C116 -177.6(5) . .
C114 C115 C116 C119 -1.0(9) . .
C114 C115 C116 C117 179.6(5) . .
C115 C116 C119 C120 -2.3(9) . .
C117 C116 C119 C120 177.1(5) . .
C115 C116 C119 C118 179.3(5) . .
C117 C116 C119 C118 -1.3(9) . .
C116 C119 C120 C121 1.8(9) . .
C118 C119 C120 C121 -179.8(6) . .
C119 C120 C121 C114 2.1(9) . .
C119 C120 C121 N105 -173.5(5) . .
C115 C114 C121 C120 -5.2(8) . .
N104 C114 C121 C120 177.3(5) . .
C115 C114 C121 N105 170.1(5) . .
N104 C114 C121 N105 -7.5(8) . .
N105 C122 C123 N106 -3.6(9) . .
N105 C122 C123 C124 177.0(6) . .
N106 C123 C124 C125 0.5(8) . .
C122 C123 C124 C125 179.9(7) . .
C123 C124 C125 C126 -1.0(7) . .
C124 C125 C126 N106 1.3(7) . .
C124 C125 C126 C127 176.2(6) . .
N106 C126 C127 C130 -30.1(9) . .
C125 C126 C127 C130 155.7(6) . .
N106 C126 C127 C128 -152.5(6) . .
C125 C126 C127 C128 33.3(10) . .
N106 C126 C127 C129 91.8(7) . .
C125 C126 C127 C129 -82.4(8) . .
C126 C127 C130 N107 34.2(9) . .
C128 C127 C130 N107 156.0(6) . .
C129 C127 C130 N107 -86.7(8) . .
C126 C127 C130 C131 -152.6(7) . .
C128 C127 C130 C131 -30.8(10) . .
C129 C127 C130 C131 86.5(9) . .
N107 C130 C131 C132 -0.1(9) . .
C127 C130 C131 C132 -174.2(7) . .
C130 C131 C132 C133 -0.8(10) . .
C131 C132 C133 N107 1.4(9) . .
C131 C132 C133 C134 -176.7(7) . .
N107 C133 C134 N108 4.0(9) . .
C132 C133 C134 N108 -178.1(7) . .
C142 C135 C136 C137 0.6(9) . .
N108 C135 C136 C137 177.5(6) . .
C135 C136 C137 C140 -0.7(11) . .
C135 C136 C137 C138 180.0(7) . .
C136 C137 C140 C141 -1.0(10) . .
C138 C137 C140 C141 178.3(7) . .
C136 C137 C140 C139 -178.9(6) . .
C138 C137 C140 C139 0.4(11) . .
C137 C140 C141 C142 2.8(10) . .
C139 C140 C141 C142 -179.3(6) . .
C136 C135 C142 C141 1.1(8) . .
N108 C135 C142 C141 -175.6(5) . .
C136 C135 C142 N101 -179.9(5) . .
N108 C135 C142 N101 3.4(9) . .
C140 C141 C142 C135 -2.8(9) . .
C140 C141 C142 N101 178.2(5) . .
N109 C143 C144 C145 -1.3(12) . .
C143 C144 C145 C146 -0.1(13) . .
C144 C145 C146 C147 1.2(12) . .
C145 C146 C147 N109 -1.1(11) . .
C152 N110 C148 C149 0(3) . .
Er2 N110 C148 C149 171.4(12) . .
N110 C148 C149 C150 3(3) . .
C148 C149 C150 C151 -5(3) . .
C149 C150 C151 C152 4(3) . .
C148 N110 C152 C151 -1(3) . .
Er2 N110 C152 C151 -173.8(13) . .
C150 C151 C152 N110 0(3) . .
N200 C200 C201 C202 -2(4) . .
C200 C201 C202 C203 9(4) . .
C201 C202 C203 C204 -12(4) . .
C202 C203 C204 N200 8(3) . .
C2 C1 N1 C42 -166.4(5) . .
C2 C1 N1 U1 -19.5(7) . .
C41 C42 N1 C1 -131.6(6) . .
C35 C42 N1 C1 51.0(7) . .
C41 C42 N1 U1 85.6(6) . .
C35 C42 N1 U1 -91.8(6) . .
C4 C5 N2 C2 0.2(6) . .
C6 C5 N2 C2 179.6(5) . .
C4 C5 N2 U1 154.7(4) . .
C6 C5 N2 U1 -25.9(8) . .
C3 C2 N2 C5 0.3(6) . .
C1 C2 N2 C5 177.0(5) . .
C3 C2 N2 U1 -160.1(4) . .
C1 C2 N2 U1 16.6(7) . .
C10 C9 N3 C12 0.0(7) . .
C6 C9 N3 C12 -179.0(5) . .
C10 C9 N3 U1 -164.0(4) . .
C6 C9 N3 U1 17.0(9) . .
C11 C12 N3 C9 -0.6(6) . .
C13 C12 N3 C9 -176.5(5) . .
C11 C12 N3 U1 166.9(4) . .
C13 C12 N3 U1 -9.0(6) . .
C12 C13 N4 C14 169.5(5) . .
C12 C13 N4 U1 19.7(7) . .
C15 C14 N4 C13 125.1(6) . .
C21 C14 N4 C13 -58.3(7) . .
C15 C14 N4 U1 -86.7(6) . .
C21 C14 N4 U1 90.0(6) . .
C23 C22 N5 C21 165.0(6) . .
C23 C22 N5 Er1 9.5(7) . .
C20 C21 N5 C22 -46.3(8) . .
C14 C21 N5 C22 138.0(6) . .
C20 C21 N5 Er1 102.9(6) . .
C14 C21 N5 Er1 -72.8(7) . .
C25 C26 N6 C23 -0.8(7) . .
C27 C26 N6 C23 -175.5(6) . .
C25 C26 N6 Er1 -155.5(5) . .
C27 C26 N6 Er1 29.8(9) . .
C24 C23 N6 C26 0.8(8) . .
C22 C23 N6 C26 -167.7(6) . .
C24 C23 N6 Er1 161.0(5) . .
C22 C23 N6 Er1 -7.5(8) . .
C31 C30 N7 C33 1.3(8) . .
C27 C30 N7 C33 -179.3(7) . .
C31 C30 N7 Er1 -155.7(6) . .
C27 C30 N7 Er1 23.8(11) . .
C32 C33 N7 C30 -0.9(8) . .
C34 C33 N7 C30 -179.4(6) . .
C32 C33 N7 Er1 161.2(5) . .
C34 C33 N7 Er1 -17.3(8) . .
C33 C34 N8 C35 -164.0(6) . .
C33 C34 N8 Er1 -0.6(8) . .
C36 C35 N8 C34 56.6(8) . .
C42 C35 N8 C34 -128.7(6) . .
C36 C35 N8 Er1 -103.6(6) . .
C42 C35 N8 Er1 71.1(7) . .
C44 C43 N9 C47 0.9(10) . .
C44 C43 N9 Er1 -177.4(5) . .
C46 C47 N9 C43 -0.3(11) . .
C46 C47 N9 Er1 178.0(6) . .
C49 C48 N10 C52 -3.5(9) . .
C49 C48 N10 Er1 167.5(5) . .
C51 C52 N10 C48 2.1(9) . .
C51 C52 N10 Er1 -168.2(5) . .
C102 C101 N101 C142 -170.5(5) . .
C102 C101 N101 U2 -19.0(6) . .
C135 C142 N101 C101 57.9(7) . .
C141 C142 N101 C101 -123.1(6) . .
C135 C142 N101 U2 -90.7(6) . .
C141 C142 N101 U2 88.3(5) . .
C104 C105 N102 C102 -0.1(6) . .
C106 C105 N102 C102 -179.0(5) . .
C104 C105 N102 U2 162.4(4) . .
C106 C105 N102 U2 -16.5(8) . .
C103 C102 N102 C105 0.0(6) . .
C101 C102 N102 C105 178.8(5) . .
C103 C102 N102 U2 -166.8(4) . .
C101 C102 N102 U2 12.0(6) . .
C110 C109 N103 C112 -0.1(7) . .
C106 C109 N103 C112 179.9(5) . .
C110 C109 N103 U2 -160.0(4) . .
C106 C109 N103 U2 20.0(8) . .
C111 C112 N103 C109 0.4(6) . .
C113 C112 N103 C109 -177.9(5) . .
C111 C112 N103 U2 165.0(4) . .
C113 C112 N103 U2 -13.3(7) . .
C112 C113 N104 C114 168.6(5) . .
C112 C113 N104 U2 19.3(7) . .
C115 C114 N104 C113 129.4(6) . .
C121 C114 N104 C113 -53.1(7) . .
C115 C114 N104 U2 -84.0(6) . .
C121 C114 N104 U2 93.5(6) . .
C123 C122 N105 C121 162.9(6) . .
C123 C122 N105 Er2 2.8(7) . .
C120 C121 N105 C122 -51.1(7) . .
C114 C121 N105 C122 133.7(6) . .
C120 C121 N105 Er2 105.2(5) . .
C114 C121 N105 Er2 -70.1(7) . .
C125 C126 N106 C123 -1.0(7) . .
C127 C126 N106 C123 -176.0(6) . .
C125 C126 N106 Er2 177.1(4) . .
C127 C126 N106 Er2 2.1(10) . .
C124 C123 N106 C126 0.3(7) . .
C122 C123 N106 C126 -179.2(6) . .
C124 C123 N106 Er2 -178.2(4) . .
C122 C123 N106 Er2 2.3(7) . .
C131 C130 N107 C133 1.0(7) . .
C127 C130 N107 C133 175.2(6) . .
C131 C130 N107 Er2 175.2(5) . .
C127 C130 N107 Er2 -10.7(10) . .
C132 C133 N107 C130 -1.5(8) . .
C134 C133 N107 C130 176.8(6) . .
C132 C133 N107 Er2 -177.2(5) . .
C134 C133 N107 Er2 1.2(8) . .
C133 C134 N108 C135 -165.4(5) . .
C133 C134 N108 Er2 -6.3(7) . .
C136 C135 N108 C134 49.0(7) . .
C142 C135 N108 C134 -134.4(6) . .
C136 C135 N108 Er2 -105.5(6) . .
C142 C135 N108 Er2 71.1(7) . .
C144 C143 N109 C147 1.4(10) . .
C144 C143 N109 Er2 -169.7(6) . .
C146 C147 N109 C143 -0.2(10) . .
C146 C147 N109 Er2 170.5(5) . .
C201 C200 N200 C204 -2(3) . .
C203 C204 N200 C200 -1(3) . .
U1 O1 Er1 N7 16(5) . .
U1 O1 Er1 N6 156(5) . .
U1 O1 Er1 N9 -95(5) . .
U1 O1 Er1 N8 -23(5) . .
U1 O1 Er1 N10 76(5) . .
U1 O1 Er1 N5 -163(5) . .
C30 N7 Er1 O1 126.6(6) . .
C33 N7 Er1 O1 -28.9(6) . .
C30 N7 Er1 N6 -27.2(6) . .
C33 N7 Er1 N6 177.4(5) . .
C30 N7 Er1 N9 -118.1(7) . .
C33 N7 Er1 N9 86.4(5) . .
C30 N7 Er1 N8 167.3(7) . .
C33 N7 Er1 N8 11.8(4) . .
C30 N7 Er1 N10 65.4(6) . .
C33 N7 Er1 N10 -90.1(5) . .
C30 N7 Er1 N5 -55.0(7) . .
C33 N7 Er1 N5 149.6(4) . .
C26 N6 Er1 O1 -156.4(5) . .
C23 N6 Er1 O1 50.3(5) . .
C26 N6 Er1 N7 0.5(5) . .
C23 N6 Er1 N7 -152.8(4) . .
C26 N6 Er1 N9 90.5(6) . .
C23 N6 Er1 N9 -62.8(4) . .
C26 N6 Er1 N8 21.9(7) . .
C23 N6 Er1 N8 -131.3(4) . .
C26 N6 Er1 N10 -78.4(6) . .
C23 N6 Er1 N10 128.3(4) . .
C26 N6 Er1 N5 161.6(6) . .
C23 N6 Er1 N5 8.3(4) . .
C43 N9 Er1 O1 5.8(5) . .
C47 N9 Er1 O1 -172.5(5) . .
C43 N9 Er1 N7 -140.5(5) . .
C47 N9 Er1 N7 41.3(5) . .
C43 N9 Er1 N6 146.0(5) . .
C47 N9 Er1 N6 -32.2(5) . .
C43 N9 Er1 N8 -71.9(5) . .
C47 N9 Er1 N8 109.9(5) . .
C43 N9 Er1 N10 -122.1(9) . .
C47 N9 Er1 N10 59.7(11) . .
C43 N9 Er1 N5 77.1(5) . .
C47 N9 Er1 N5 -101.1(5) . .
C34 N8 Er1 O1 151.0(4) . .
C35 N8 Er1 O1 -48.3(5) . .
C34 N8 Er1 N7 -5.9(4) . .
C35 N8 Er1 N7 154.8(5) . .
C34 N8 Er1 N6 -27.9(5) . .
C35 N8 Er1 N6 132.8(5) . .
C34 N8 Er1 N9 -101.8(4) . .
C35 N8 Er1 N9 58.9(5) . .
C34 N8 Er1 N10 69.6(4) . .
C35 N8 Er1 N10 -129.6(5) . .
C34 N8 Er1 N5 -146.8(4) . .
C35 N8 Er1 N5 13.9(6) . .
C48 N10 Er1 O1 63.6(4) . .
C52 N10 Er1 O1 -126.2(5) . .
C48 N10 Er1 N7 -148.1(5) . .
C52 N10 Er1 N7 22.1(5) . .
C48 N10 Er1 N6 -74.8(4) . .
C52 N10 Er1 N6 95.4(5) . .
C48 N10 Er1 N9 -166.8(8) . .
C52 N10 Er1 N9 3.4(12) . .
C48 N10 Er1 N8 144.5(4) . .
C52 N10 Er1 N8 -45.3(5) . .
C48 N10 Er1 N5 -7.6(5) . .
C52 N10 Er1 N5 162.6(5) . .
C22 N5 Er1 O1 -161.7(4) . .
C21 N5 Er1 O1 47.6(5) . .
C22 N5 Er1 N7 19.2(5) . .
C21 N5 Er1 N7 -131.5(5) . .
C22 N5 Er1 N6 -9.2(4) . .
C21 N5 Er1 N6 -159.9(5) . .
C22 N5 Er1 N9 88.4(4) . .
C21 N5 Er1 N9 -62.3(5) . .
C22 N5 Er1 N8 134.3(4) . .
C21 N5 Er1 N8 -16.4(6) . .
C22 N5 Er1 N10 -87.5(4) . .
C21 N5 Er1 N10 121.8(5) . .
U2 O3 Er2 N107 17(18) . .
U2 O3 Er2 N106 149(18) . .
U2 O3 Er2 N110 90(18) . .
U2 O3 Er2 N109 -95(18) . .
U2 O3 Er2 N111 78(18) . .
U2 O3 Er2 N105 -170(100) . .
U2 O3 Er2 N108 -24(18) . .
C130 N107 Er2 O3 139.3(5) . .
C133 N107 Er2 O3 -46.9(5) . .
C130 N107 Er2 N106 -10.8(6) . .
C133 N107 Er2 N106 163.0(5) . .
C130 N107 Er2 N110 67.7(7) . .
C133 N107 Er2 N110 -118.5(6) . .
C130 N107 Er2 N109 -106.8(6) . .
C133 N107 Er2 N109 67.0(4) . .
C130 N107 Er2 N111 78.8(7) . .
C133 N107 Er2 N111 -107.4(6) . .
C130 N107 Er2 N105 -30.7(7) . .
C133 N107 Er2 N105 143.1(4) . .
C130 N107 Er2 N108 -176.8(6) . .
C133 N107 Er2 N108 -3.0(4) . .
C126 N106 Er2 O3 -134.9(6) . .
C123 N106 Er2 O3 43.1(5) . .
C126 N106 Er2 N107 15.0(6) . .
C123 N106 Er2 N107 -167.1(5) . .
C126 N106 Er2 N110 -74.7(7) . .
C123 N106 Er2 N110 103.2(6) . .
C126 N106 Er2 N109 108.4(6) . .
C123 N106 Er2 N109 -73.7(4) . .
C126 N106 Er2 N111 -66.4(7) . .
C123 N106 Er2 N111 111.6(6) . .
C126 N106 Er2 N105 -178.6(6) . .
C123 N106 Er2 N105 -0.6(4) . .
C126 N106 Er2 N108 35.7(7) . .
C123 N106 Er2 N108 -146.4(4) . .
C152 N110 Er2 O3 -71.9(15) . .
C148 N110 Er2 O3 116.3(16) . .
C152 N110 Er2 N107 69.6(15) . .
C148 N110 Er2 N107 -102.2(16) . .
C152 N110 Er2 N106 142.6(16) . .
C148 N110 Er2 N106 -29.3(15) . .
C152 N110 Er2 N109 176(4) . .
C148 N110 Er2 N109 4(6) . .
C152 N110 Er2 N111 6(3) . .
C148 N110 Er2 N111 -166(5) . .
C152 N110 Er2 N105 -150.6(15) . .
C148 N110 Er2 N105 37.6(17) . .
C152 N110 Er2 N108 3.2(17) . .
C148 N110 Er2 N108 -168.7(15) . .
C143 N109 Er2 O3 167.4(5) . .
C147 N109 Er2 O3 -3.5(5) . .
C143 N109 Er2 N107 24.5(5) . .
C147 N109 Er2 N107 -146.3(5) . .
C143 N109 Er2 N106 -48.5(5) . .
C147 N109 Er2 N106 140.7(5) . .
C143 N109 Er2 N110 -81(5) . .
C147 N109 Er2 N110 108(5) . .
C143 N109 Er2 N111 80(4) . .
C147 N109 Er2 N111 -90(4) . .
C143 N109 Er2 N105 -115.4(5) . .
C147 N109 Er2 N105 73.8(5) . .
C143 N109 Er2 N108 91.6(5) . .
C147 N109 Er2 N108 -79.2(5) . .
C122 N105 Er2 O3 -154.2(4) . .
C121 N105 Er2 O3 48.7(4) . .
C122 N105 Er2 N107 19.2(5) . .
C121 N105 Er2 N107 -137.9(4) . .
C122 N105 Er2 N106 -1.1(4) . .
C121 N105 Er2 N106 -158.2(5) . .
C122 N105 Er2 N110 -74.7(6) . .
C121 N105 Er2 N110 128.2(7) . .
C122 N105 Er2 N109 102.0(4) . .
C121 N105 Er2 N109 -55.1(4) . .
C122 N105 Er2 N111 -79.9(6) . .
C121 N105 Er2 N111 123.0(6) . .
C122 N105 Er2 N108 144.7(4) . .
C121 N105 Er2 N108 -12.4(6) . .
C134 N108 Er2 O3 157.6(4) . .
C135 N108 Er2 O3 -47.2(4) . .
C134 N108 Er2 N107 4.8(4) . .
C135 N108 Er2 N107 160.0(5) . .
C134 N108 Er2 N106 -16.3(5) . .
C135 N108 Er2 N106 139.0(4) . .
C134 N108 Er2 N110 81.6(6) . .
C135 N108 Er2 N110 -123.1(7) . .
C134 N108 Er2 N109 -97.6(4) . .
C135 N108 Er2 N109 57.6(4) . .
C134 N108 Er2 N111 81.0(6) . .
C135 N108 Er2 N111 -123.7(6) . .
C134 N108 Er2 N105 -141.2(4) . .
C135 N108 Er2 N105 14.0(5) . .
Er1 O1 U1 O2 97(5) . .
Er1 O1 U1 O2 93(5) . 3_777
Er1 O1 U1 N2 -51(5) . .
Er1 O1 U1 N3 -122(5) . .
Er1 O1 U1 N4 173(5) . .
Er1 O1 U1 N1 16(5) . .
Er1 O1 U1 U1 93(5) . 3_777
U1 O2 U1 O1 -4(2) 3_777 .
U1 O2 U1 O2 0.0 3_777 3_777
U1 O2 U1 N2 143.55(17) 3_777 .
U1 O2 U1 N3 -144.82(16) 3_777 .
U1 O2 U1 N4 -78.99(17) 3_777 .
U1 O2 U1 N1 76.06(17) 3_777 .
C5 N2 U1 O1 -97.4(5) . .
C2 N2 U1 O1 55.6(4) . .
C5 N2 U1 O2 84.9(5) . .
C2 N2 U1 O2 -122.1(4) . .
C5 N2 U1 O2 151.3(5) . 3_777
C2 N2 U1 O2 -55.6(5) . 3_777
C5 N2 U1 N3 -8.0(5) . .
C2 N2 U1 N3 145.0(4) . .
C5 N2 U1 N4 -29.9(6) . .
C2 N2 U1 N4 123.2(4) . .
C5 N2 U1 N1 -171.0(5) . .
C2 N2 U1 N1 -18.0(4) . .
C5 N2 U1 U1 112.6(5) . 3_777
C2 N2 U1 U1 -94.3(4) . 3_777
C9 N3 U1 O1 102.4(5) . .
C12 N3 U1 O1 -60.3(4) . .
C9 N3 U1 O2 -80.4(5) . .
C12 N3 U1 O2 116.9(4) . .
C9 N3 U1 O2 -146.3(5) . 3_777
C12 N3 U1 O2 51.0(5) . 3_777
C9 N3 U1 N2 12.5(5) . .
C12 N3 U1 N2 -150.2(4) . .
C9 N3 U1 N4 175.4(6) . .
C12 N3 U1 N4 12.7(4) . .
C9 N3 U1 N1 35.1(6) . .
C12 N3 U1 N1 -127.6(4) . .
C9 N3 U1 U1 -107.4(5) . 3_777
C12 N3 U1 U1 89.9(4) . 3_777
C13 N4 U1 O1 79.9(4) . .
C14 N4 U1 O1 -69.2(4) . .
C13 N4 U1 O2 -104.5(4) . .
C14 N4 U1 O2 106.5(4) . .
C13 N4 U1 O2 -174.7(4) . 3_777
C14 N4 U1 O2 36.3(4) . 3_777
C13 N4 U1 N2 6.1(5) . .
C14 N4 U1 N2 -143.0(4) . .
C13 N4 U1 N3 -16.7(4) . .
C14 N4 U1 N3 -165.7(4) . .
C13 N4 U1 N1 116.8(4) . .
C14 N4 U1 N1 -32.2(5) . .
C13 N4 U1 U1 -143.8(4) . 3_777
C14 N4 U1 U1 67.1(4) . 3_777
C1 N1 U1 O1 -77.0(4) . .
C42 N1 U1 O1 67.7(4) . .
C1 N1 U1 O2 107.4(4) . .
C42 N1 U1 O2 -107.9(4) . .
C1 N1 U1 O2 176.8(4) . 3_777
C42 N1 U1 O2 -38.5(4) . 3_777
C1 N1 U1 N2 19.2(4) . .
C42 N1 U1 N2 163.9(5) . .
C1 N1 U1 N3 -4.1(5) . .
C42 N1 U1 N3 140.6(4) . .
C1 N1 U1 N4 -113.9(4) . .
C42 N1 U1 N4 30.9(5) . .
C1 N1 U1 U1 146.1(4) . 3_777
C42 N1 U1 U1 -69.1(4) . 3_777
Er2 O3 U2 O4 87(18) . .
Er2 O3 U2 O4 96(18) . 3_656
Er2 O3 U2 N102 -49(18) . .
Er2 O3 U2 N103 -119(18) . .
Er2 O3 U2 N101 16(18) . .
Er2 O3 U2 N104 176(100) . .
Er2 O3 U2 U2 95(18) . 3_656
U2 O4 U2 O3 8.7(13) 3_656 .
U2 O4 U2 O4 0.0 3_656 3_656
U2 O4 U2 N102 144.84(16) 3_656 .
U2 O4 U2 N103 -144.92(15) 3_656 .
U2 O4 U2 N101 77.91(16) 3_656 .
U2 O4 U2 N104 -78.16(17) 3_656 .
C105 N102 U2 O3 -103.6(5) . .
C102 N102 U2 O3 57.6(4) . .
C105 N102 U2 O4 81.4(5) . .
C102 N102 U2 O4 -117.4(4) . .
C105 N102 U2 O4 146.2(5) . 3_656
C102 N102 U2 O4 -52.6(5) . 3_656
C105 N102 U2 N103 -13.6(5) . .
C102 N102 U2 N103 147.6(4) . .
C105 N102 U2 N101 -176.0(6) . .
C102 N102 U2 N101 -14.8(3) . .
C105 N102 U2 N104 -35.5(6) . .
C102 N102 U2 N104 125.7(4) . .
C105 N102 U2 U2 108.4(5) . 3_656
C102 N102 U2 U2 -90.4(4) . 3_656
C109 N103 U2 O3 102.8(5) . .
C112 N103 U2 O3 -55.8(4) . .
C109 N103 U2 O4 -80.4(5) . .
C112 N103 U2 O4 121.0(4) . .
C109 N103 U2 O4 -147.7(5) . 3_656
C112 N103 U2 O4 53.7(5) . 3_656
C109 N103 U2 N102 11.6(5) . .
C112 N103 U2 N102 -147.0(4) . .
C109 N103 U2 N101 34.0(6) . .
C112 N103 U2 N101 -124.6(4) . .
C109 N103 U2 N104 174.2(6) . .
C112 N103 U2 N104 15.6(4) . .
C109 N103 U2 U2 -108.1(5) . 3_656
C112 N103 U2 U2 93.3(4) . 3_656
C101 N101 U2 O3 -81.1(4) . .
C142 N101 U2 O3 68.4(4) . .
C101 N101 U2 O4 105.9(4) . .
C142 N101 U2 O4 -104.6(4) . .
C101 N101 U2 O4 175.3(4) . 3_656
C142 N101 U2 O4 -35.2(4) . 3_656
C101 N101 U2 N102 17.2(4) . .
C142 N101 U2 N102 166.7(4) . .
C101 N101 U2 N103 -5.7(5) . .
C142 N101 U2 N103 143.8(4) . .
C101 N101 U2 N104 -113.4(4) . .
C142 N101 U2 N104 36.1(5) . .
C101 N101 U2 U2 144.9(4) . 3_656
C142 N101 U2 U2 -65.6(4) . 3_656
C113 N104 U2 O3 80.2(4) . .
C114 N104 U2 O3 -67.6(4) . .
C113 N104 U2 O4 -107.3(4) . .
C114 N104 U2 O4 104.9(4) . .
C113 N104 U2 O4 -176.4(4) . 3_656
C114 N104 U2 O4 35.8(4) . 3_656
C113 N104 U2 N102 4.6(5) . .
C114 N104 U2 N102 -143.2(4) . .
C113 N104 U2 N103 -18.0(4) . .
C114 N104 U2 N103 -165.7(4) . .
C113 N104 U2 N101 112.8(4) . .
C114 N104 U2 N101 -35.0(5) . .
C113 N104 U2 U2 -146.5(4) . 3_656
C114 N104 U2 U2 65.7(4) . 3_656
C156 C157 N111 C153 0(3) . .
C156 C157 N111 Er2 -168.9(13) . .
O3 Er2 N111 C153 80.2(17) . .
N107 Er2 N111 C153 -135.0(17) . .
N106 Er2 N111 C153 -62.1(17) . .
N110 Er2 N111 C153 -20(3) . .
N109 Er2 N111 C153 168(3) . .
N105 Er2 N111 C153 4.8(18) . .
N108 Er2 N111 C153 157.5(16) . .
O3 Er2 N111 C157 -111.8(14) . .
N107 Er2 N111 C157 33.1(13) . .
N106 Er2 N111 C157 105.9(14) . .
N110 Er2 N111 C157 148(5) . .
N109 Er2 N111 C157 -24(5) . .
N105 Er2 N111 C157 172.9(13) . .
N108 Er2 N111 C157 -34.5(14) . .
N111 C157 C156 C155 3(3) . .
C157 N111 C153 C154 -3(3) . .
Er2 N111 C153 C154 165.8(18) . .
C155 C154 C153 N111 3(3) . .
C153 C154 C155 C156 0(3) . .
C157 C156 C155 C154 -3(3) . .
