#------------------------------------------------------------------------------
#$Date: 2025-07-06 17:25:36 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300619 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/47/1574752.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_1574752
loop_
_publ_author_name
'Brown, Stephen E.'
'Pike, Sebastian D.'
_publ_section_title
;
 Photoabsorption of 1--2 nm molecular Ce-oxo nanoclusters versus ceria:
 intervalence charge transfer but no size effects
;
_journal_issue                   25
_journal_name_full               'Chemical Science'
_journal_page_first              11659
_journal_page_last               11668
_journal_paper_doi               10.1039/D5SC00905G
_journal_volume                  16
_journal_year                    2025
_chemical_compound_source        'MASB 4.14 UoW'
_chemical_formula_moiety         'C300 H230 Ce24 N18 O96'
_chemical_formula_sum            'C300 H230 Ce24 N18 O96'
_chemical_formula_weight         8985.95
_chemical_melting_point          ?
_chemical_name_systematic        '[Ce24O28(OH)8(OOCPh)30(Py)4](Py)14'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_audit_creation_date             2025-01-14
_audit_creation_method           CRYSTALS_ver_14.61_build_6999
_audit_update_record
;
2025-01-21 deposited with the CCDC.	2025-05-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.7010(18)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   21.834400(17)
_cell_length_b                   26.493099(17)
_cell_length_c                   25.106501(14)
_cell_measurement_reflns_used    97063
_cell_measurement_temperature    100
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     14522.043(18)
_computing_cell_refinement
; 
 CrysAlisPro (Rigaku Oxford Diffraction, 2017) 
;
_computing_data_collection       'SuperNova, (Oxford Diffraction, 2010)'
_computing_data_reduction
; 
 CrysAlisPro (Rigaku Oxford Diffraction, 2017) 
;
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'USER DEFINED STRUCTURE SOLUTION'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.862
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Oxford Diffraction SuperNova'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'focussing mirrors'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_av_unetI/netI     0.067
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            327519
_diffrn_reflns_theta_full        25.077
_diffrn_reflns_theta_max         30.582
_diffrn_reflns_theta_min         2.166
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.762
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.16
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 CrysAlisPro (Rigaku Oxford Diffraction, 2017) 
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             8324
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: pyridine'
_exptl_crystal_size_max          0.324
_exptl_crystal_size_mid          0.168
_exptl_crystal_size_min          0.076
_platon_squeeze_details
;
60 electrons and 218 A3 corresponds to approximately 2 pyridines C5H5N
in the solvent accesible volume per void/assymetric unit 
implying 8 missing pyridines in the unit cell
;
_refine_diff_density_max         4.97
_refine_diff_density_min         -1.66
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1919
_refine_ls_number_reflns         38438
_refine_ls_number_restraints     584
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.0443679
_refine_ls_shift/su_mean         0.0004566
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.09P)² +*****P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1689
_refine_ls_wR_factor_gt          0.1479
_refine_ls_wR_factor_ref         0.1684
_reflns_limit_h_max              29
_reflns_limit_h_min              -30
_reflns_limit_k_max              36
_reflns_limit_k_min              0
_reflns_limit_l_max              34
_reflns_limit_l_min              0
_reflns_number_gt                28035
_reflns_number_total             38462
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   1.91
_oxford_diffrn_Wilson_scale      179.01
_oxford_refine_ls_r_factor_ref   0.0794
_oxford_refine_ls_scale          0.078894(12)
_oxford_reflns_number_all        38439
_oxford_structure_analysis_title 'eint_fr30_re30_sb_7.cif_od At 8:54 on 7/10'
_cod_data_source_file            d5sc00905g2.cif
_cod_data_source_block           3Ce24Ph
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1574748--1574755.cif.
;
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_database_code               1574752
_oxford_refine_reflns_threshold_expression_ref I>-3.0\s(I)
_platon_squeeze_void_probe_radius 1.20
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x+1/2,y+1/2,-z+1/2
x+1/2,-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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Ce1 Ce 0.490694(17) 0.445481(14) 0.548264(14) 0.0246 1.0000 Uani . . . . . .
Ce2 Ce 0.618590(17) 0.440317(14) 0.445426(14) 0.0253 1.0000 Uani . . . . . .
Ce3 Ce 0.632059(17) 0.530935(14) 0.560801(14) 0.0245 1.0000 Uani . . . . . .
Ce4 Ce 0.478427(18) 0.359490(14) 0.429312(14) 0.0258 1.0000 Uani . . . . . .
Ce5 Ce 0.504081(18) 0.538778(14) 0.660028(14) 0.0267 1.0000 Uani . . . . . .
O6 O 0.5739(2) 0.58167(18) 0.61501(18) 0.0280 1.0000 Uani . . . . . .
O7 O 0.5473(2) 0.40489(18) 0.38716(18) 0.0273 1.0000 Uani . . . . . .
Ce8 Ce 0.604915(18) 0.424239(15) 0.658662(15) 0.0275 1.0000 Uani . . . . . .
O9 O 0.5573(2) 0.48449(17) 0.60800(18) 0.0277 1.0000 Uani . . . . . .
O10 O 0.4862(2) 0.4337(2) 0.68196(19) 0.0333 1.0000 Uani . . . . . .
Ce11 Ce 0.469983(19) 0.336332(15) 0.645927(16) 0.0310 1.0000 Uani . . . . . .
Ce12 Ce 0.371250(18) 0.450838(15) 0.652671(14) 0.0271 1.0000 Uani . . . . . .
Ce13 Ce 0.357254(18) 0.359240(14) 0.533904(14) 0.0262 1.0000 Uani . . . . . .
O14 O 0.4176(2) 0.39952(18) 0.59320(18) 0.0291 1.0000 Uani . . . . . .
Ce15 Ce 0.749817(18) 0.532081(14) 0.450244(14) 0.0260 1.0000 Uani . . . . . .
O16 O 0.2998(2) 0.40231(18) 0.60195(18) 0.0287 1.0000 Uani . . . . . .
O17 O 0.6914(2) 0.57766(18) 0.50366(17) 0.0264 1.0000 Uani . . . . . .
O18 O 0.6788(2) 0.49689(18) 0.40090(18) 0.0280 1.0000 Uani . . . . . .
O19 O 0.6932(2) 0.47771(17) 0.50440(17) 0.0264 1.0000 Uani . . . . . .
Ce20 Ce 0.728536(18) 0.412369(14) 0.559540(15) 0.0266 1.0000 Uani . . . . . .
Ce21 Ce 0.589913(18) 0.331585(14) 0.540293(15) 0.0276 1.0000 Uani . . . . . .
O22 O 0.6577(2) 0.36040(18) 0.61060(19) 0.0300 1.0000 Uani . . . . . .
O23 O 0.6586(2) 0.38245(18) 0.50493(18) 0.0286 1.0000 Uani . . . . . .
O24 O 0.4714(2) 0.32027(19) 0.5335(2) 0.0339 1.0000 Uani . . . . . .
O25 O 0.5439(2) 0.38518(18) 0.59736(18) 0.0280 1.0000 Uani . . . . . .
O26 O 0.5627(3) 0.27655(19) 0.6125(2) 0.0358 1.0000 Uani . . . . . .
C27 C 0.5369(4) 0.2395(3) 0.6355(3) 0.0401 1.0000 Uani . . . . . .
O28 O 0.4849(3) 0.2431(2) 0.6547(3) 0.0568 1.0000 Uani . . . . . .
C29 C 0.5704(4) 0.1907(3) 0.6418(3) 0.0441 1.0000 Uani . . . . . .
C30 C 0.5478(6) 0.1545(4) 0.6762(4) 0.0645 1.0000 Uani . . . . . .
C31 C 0.5800(6) 0.1093(4) 0.6845(5) 0.0789 1.0000 Uani . . . . . .
C32 C 0.6315(7) 0.1009(5) 0.6582(6) 0.0922 1.0000 Uani . . . . . .
C33 C 0.6561(7) 0.1379(5) 0.6239(6) 0.0882 1.0000 Uani . . . . . .
C34 C 0.6246(5) 0.1825(4) 0.6166(5) 0.0644 1.0000 Uani . . . . . .
O35 O 0.5434(2) 0.39389(17) 0.49082(18) 0.0265 1.0000 Uani . . . . . .
O36 O 0.5676(2) 0.30254(18) 0.4451(2) 0.0320 1.0000 Uani . . . . . .
C37 C 0.5674(3) 0.2554(3) 0.4579(3) 0.0338 1.0000 Uani . . . . . .
O38 O 0.5628(3) 0.24261(19) 0.5054(2) 0.0370 1.0000 Uani . . . . . .
C39 C 0.5744(4) 0.2173(3) 0.4147(3) 0.0392 1.0000 Uani . . . . . .
C40 C 0.5788(5) 0.2310(4) 0.3623(4) 0.0529 1.0000 Uani . . . . . .
C41 C 0.5839(5) 0.1939(5) 0.3233(4) 0.0668 1.0000 Uani . . . . . .
C42 C 0.5835(5) 0.1435(5) 0.3362(5) 0.0756 1.0000 Uani . . . . . .
C43 C 0.5800(7) 0.1304(4) 0.3870(6) 0.0875 1.0000 Uani . . . . . .
C44 C 0.5759(6) 0.1666(4) 0.4276(5) 0.0674 1.0000 Uani . . . . . .
O45 O 0.6778(3) 0.2799(2) 0.5339(2) 0.0378 1.0000 Uani . . . . . .
C46 C 0.7345(4) 0.2843(3) 0.5401(3) 0.0356 1.0000 Uani . . . . . .
O47 O 0.7633(2) 0.3238(2) 0.5542(2) 0.0363 1.0000 Uani . . . . . .
C48 C 0.7721(4) 0.2375(3) 0.5296(3) 0.0427 1.0000 Uani . . . . . .
C49 C 0.7418(5) 0.1938(3) 0.5126(4) 0.0526 1.0000 Uani . . . . . .
C50 C 0.7741(7) 0.1512(4) 0.5031(5) 0.0737 1.0000 Uani . . . . . .
C51 C 0.8361(6) 0.1502(4) 0.5091(5) 0.0732 1.0000 Uani . . . . . .
C52 C 0.8673(5) 0.1926(4) 0.5254(4) 0.0626 1.0000 Uani . . . . . .
C53 C 0.8345(4) 0.2365(4) 0.5367(3) 0.0499 1.0000 Uani . . . . . .
O54 O 0.6707(2) 0.46249(18) 0.60733(18) 0.0288 1.0000 Uani . . . . . .
O55 O 0.7733(2) 0.3957(2) 0.6465(2) 0.0357 1.0000 Uani . . . . . .
C56 C 0.7556(4) 0.4080(3) 0.6922(3) 0.0324 1.0000 Uani . . . . . .
O57 O 0.7014(3) 0.4151(2) 0.7061(2) 0.0382 1.0000 Uani . . . . . .
C58 C 0.8049(4) 0.4162(3) 0.7336(3) 0.0407 1.0000 Uani . . . . . .
C59 C 0.8651(4) 0.4040(4) 0.7224(4) 0.0490 1.0000 Uani . . . . . .
C60 C 0.9115(5) 0.4149(4) 0.7601(5) 0.0683 1.0000 Uani . . . . . .
C61 C 0.8990(7) 0.4393(5) 0.8075(5) 0.0868 1.0000 Uani . . . . . .
C62 C 0.8382(7) 0.4514(5) 0.8179(4) 0.0797 1.0000 Uani . . . . . .
C63 C 0.7911(5) 0.4391(4) 0.7816(4) 0.0535 1.0000 Uani . . . . . .
O64 O 0.8039(3) 0.4013(2) 0.4938(2) 0.0410 1.0000 Uani . . . . . .
C65 C 0.8168(4) 0.4151(3) 0.4481(3) 0.0325 1.0000 Uani . . . . . .
O66 O 0.8018(3) 0.4559(2) 0.4272(2) 0.0483 1.0000 Uani . . . . . .
C67 C 0.8521(3) 0.3789(3) 0.4135(3) 0.0371 1.0000 Uani . . . . . .
C68 C 0.8620(4) 0.3899(4) 0.3608(4) 0.0571 1.0000 Uani . . . . . .
C69 C 0.8932(5) 0.3538(6) 0.3297(5) 0.0774 1.0000 Uani . . . . . .
C70 C 0.9118(5) 0.3102(6) 0.3508(7) 0.0871 1.0000 Uani . . . . . .
C71 C 0.9027(5) 0.2990(4) 0.4022(7) 0.0812 1.0000 Uani . . . . . .
C72 C 0.8715(4) 0.3331(3) 0.4338(5) 0.0562 1.0000 Uani . . . . . .
O73 O 0.8046(3) 0.4732(2) 0.5814(2) 0.0395 1.0000 Uani . . . . . .
C74 C 0.8350(3) 0.5080(3) 0.5615(3) 0.0294 1.0000 Uani . . . . . .
O75 O 0.8270(3) 0.5245(2) 0.5151(2) 0.0478 1.0000 Uani . . . . . .
C76 C 0.8844(3) 0.5311(3) 0.5952(3) 0.0304 1.0000 Uani . . . . . .
C77 C 0.9158(4) 0.5739(3) 0.5780(3) 0.0433 1.0000 Uani . . . . . .
C78 C 0.9605(5) 0.5952(4) 0.6114(5) 0.0656 1.0000 Uani . . . . . .
C79 C 0.9741(5) 0.5741(5) 0.6595(4) 0.0706 1.0000 Uani . . . . . .
C80 C 0.9432(5) 0.5316(4) 0.6770(4) 0.0588 1.0000 Uani . . . . . .
C81 C 0.8986(4) 0.5105(3) 0.6443(3) 0.0414 1.0000 Uani . . . . . .
O82 O 0.8113(2) 0.60999(18) 0.45749(19) 0.0321 1.0000 Uani . . . . . .
C83 C 0.2026(3) 0.3449(3) 0.5341(3) 0.0290 1.0000 Uani . . . . . .
O84 O 0.2559(2) 0.32753(19) 0.5280(2) 0.0344 1.0000 Uani . . . . . .
C85 C 0.1509(3) 0.3065(3) 0.5311(3) 0.0325 1.0000 Uani . . . . . .
C86 C 0.0903(4) 0.3223(3) 0.5314(3) 0.0371 1.0000 Uani . . . . . .
C87 C 0.0433(4) 0.2859(4) 0.5284(3) 0.0456 1.0000 Uani . . . . . .
C88 C 0.0577(4) 0.2358(3) 0.5261(3) 0.0455 1.0000 Uani . . . . . .
C89 C 0.1176(4) 0.2202(3) 0.5267(3) 0.0446 1.0000 Uani . . . . . .
C90 C 0.1645(4) 0.2555(3) 0.5285(3) 0.0396 1.0000 Uani . . . . . .
O91 O 0.8012(2) 0.53624(19) 0.36239(19) 0.0327 1.0000 Uani . . . . . .
C92 C 0.2216(3) 0.4698(3) 0.6836(3) 0.0302 1.0000 Uani . . . . . .
O93 O 0.2775(2) 0.4666(2) 0.69547(19) 0.0353 1.0000 Uani . . . . . .
C94 C 0.1787(4) 0.4811(3) 0.7291(3) 0.0349 1.0000 Uani . . . . . .
C95 C 0.2036(4) 0.4868(4) 0.7799(3) 0.0506 1.0000 Uani . . . . . .
C96 C 0.1638(5) 0.4968(4) 0.8222(4) 0.0589 1.0000 Uani . . . . . .
C97 C 0.1022(5) 0.5001(4) 0.8142(4) 0.0585 1.0000 Uani . . . . . .
C98 C 0.0785(5) 0.4934(5) 0.7648(4) 0.0736 1.0000 Uani . . . . . .
C99 C 0.1163(4) 0.4840(5) 0.7217(4) 0.0591 1.0000 Uani . . . . . .
O100 O 0.3717(2) 0.29784(19) 0.61280(19) 0.0328 1.0000 Uani . . . . . .
C101 C 0.3574(3) 0.2595(3) 0.5843(3) 0.0336 1.0000 Uani . . . . . .
O102 O 0.3573(3) 0.26245(19) 0.5345(2) 0.0353 1.0000 Uani . . . . . .
C103 C 0.3371(4) 0.2119(3) 0.6106(3) 0.0416 1.0000 Uani . . . . . .
C104 C 0.3053(5) 0.1760(3) 0.5804(4) 0.0586 1.0000 Uani . . . . . .
C105 C 0.2832(7) 0.1334(4) 0.6053(5) 0.0882 1.0000 Uani . . . . . .
C106 C 0.2911(7) 0.1258(4) 0.6590(5) 0.0802 1.0000 Uani . . . . . .
C107 C 0.3248(6) 0.1608(4) 0.6892(4) 0.0678 1.0000 Uani . . . . . .
C108 C 0.3473(4) 0.2047(3) 0.6651(4) 0.0475 1.0000 Uani . . . . . .
O109 O 0.4243(2) 0.40789(17) 0.48775(18) 0.0266 1.0000 Uani . . . . . .
O110 O 0.3688(2) 0.32421(17) 0.44458(18) 0.0284 1.0000 Uani . . . . . .
C111 C 0.3866(3) 0.2804(3) 0.4282(3) 0.0318 1.0000 Uani . . . . . .
O112 O 0.4415(2) 0.26882(18) 0.4299(2) 0.0338 1.0000 Uani . . . . . .
C113 C 0.3406(4) 0.2463(3) 0.4036(3) 0.0411 1.0000 Uani . . . . . .
C114 C 0.2789(4) 0.2513(3) 0.4153(4) 0.0547 1.0000 Uani . . . . . .
C115 C 0.2366(5) 0.2212(5) 0.3890(7) 0.1026 1.0000 Uani . . . . . .
C116 C 0.2541(6) 0.1873(6) 0.3521(8) 0.1300 1.0000 Uani . . . . . .
C117 C 0.3159(6) 0.1834(5) 0.3379(5) 0.0813 1.0000 Uani . . . . . .
C118 C 0.3591(5) 0.2112(4) 0.3667(4) 0.0593 1.0000 Uani . . . . . .
O119 O 0.3719(2) 0.37034(19) 0.69582(19) 0.0342 1.0000 Uani . . . . . .
C120 C 0.3864(4) 0.3448(3) 0.7370(3) 0.0403 1.0000 Uani . . . . . .
O121 O 0.4349(3) 0.3211(3) 0.7402(2) 0.0514 1.0000 Uani . . . . . .
C122 C 0.3409(4) 0.3438(3) 0.7824(3) 0.0396 1.0000 Uani . . . . . .
C123 C 0.2859(4) 0.3673(3) 0.7778(3) 0.0463 1.0000 Uani . . . . . .
C124 C 0.2435(5) 0.3644(4) 0.8191(4) 0.0531 1.0000 Uani . . . . . .
C125 C 0.2585(5) 0.3393(4) 0.8639(4) 0.0621 1.0000 Uani . . . . . .
C126 C 0.3140(6) 0.3153(5) 0.8689(4) 0.0782 1.0000 Uani . . . . . .
C127 C 0.3566(5) 0.3185(4) 0.8286(4) 0.0630 1.0000 Uani . . . . . .
O128 O 0.4379(2) 0.49823(17) 0.60487(18) 0.0274 1.0000 Uani . . . . . .
O129 O 0.4040(2) 0.52810(19) 0.70592(19) 0.0324 1.0000 Uani . . . . . .
C130 C 0.3925(3) 0.5058(3) 0.7509(3) 0.0360 1.0000 Uani . . . . . .
O131 O 0.3874(3) 0.4595(2) 0.75277(19) 0.0374 1.0000 Uani . . . . . .
C132 C 0.3840(4) 0.5370(3) 0.7997(3) 0.0477 1.0000 Uani . . . . . .
C133 C 0.3977(5) 0.5879(4) 0.7997(4) 0.0583 1.0000 Uani . . . . . .
C134 C 0.3903(7) 0.6159(5) 0.8457(6) 0.0909 1.0000 Uani . . . . . .
C135 C 0.3696(9) 0.5919(6) 0.8911(6) 0.1135 1.0000 Uani . . . . . .
C136 C 0.3544(8) 0.5420(5) 0.8905(5) 0.0985 1.0000 Uani . . . . . .
C137 C 0.3613(5) 0.5138(4) 0.8445(4) 0.0623 1.0000 Uani . . . . . .
O138 O 0.5651(2) 0.34320(19) 0.7027(2) 0.0351 1.0000 Uani . . . . . .
C139 C 0.5734(3) 0.3602(3) 0.7503(3) 0.0326 1.0000 Uani . . . . . .
O140 O 0.5854(3) 0.4059(2) 0.7572(2) 0.0387 1.0000 Uani . . . . . .
C141 C 0.5700(4) 0.3246(3) 0.7963(3) 0.0433 1.0000 Uani . . . . . .
C142 C 0.5575(5) 0.2735(4) 0.7883(4) 0.0527 1.0000 Uani . . . . . .
C143 C 0.5580(5) 0.2407(4) 0.8316(4) 0.0611 1.0000 Uani . . . . . .
C144 C 0.5663(5) 0.2589(4) 0.8815(4) 0.0588 1.0000 Uani . . . . . .
C145 C 0.5764(6) 0.3093(5) 0.8896(4) 0.0669 1.0000 Uani . . . . . .
C146 C 0.5788(5) 0.3422(4) 0.8466(3) 0.0537 1.0000 Uani . . . . . .
O147 O 0.5995(2) 0.50377(19) 0.71038(18) 0.0312 1.0000 Uani . . . . . .
C148 C 0.5743(3) 0.51311(19) 0.7553(2) 0.0331 1.0000 Uani D . . . . .
O149 O 0.5173(3) 0.5146(2) 0.75788(19) 0.0365 1.0000 Uani . . . . . .
C150 C 0.6106(5) 0.5351(3) 0.8001(4) 0.1773 0.49(2) Uani D . P 1 1 .
C151 C 0.6115(3) 0.5296(3) 0.8022(2) 0.0262 0.51(2) Uani D . P 1 2 .
C152 C 0.5839(9) 0.5419(4) 0.8481(4) 0.1840 0.49(2) Uani D . P 1 1 .
C153 C 0.5834(4) 0.5525(3) 0.8440(3) 0.0394 0.51(2) Uani D . P 1 2 .
C154 C 0.6179(13) 0.5635(4) 0.8905(5) 0.1886 0.49(2) Uani D . P 1 1 .
C155 C 0.6186(6) 0.5694(3) 0.8878(3) 0.0550 0.51(2) Uani D . P 1 2 .
C156 C 0.6771(12) 0.5776(4) 0.8825(8) 0.1856 0.49(2) Uani D . P 1 1 .
C157 C 0.6803(6) 0.5615(4) 0.8885(3) 0.0671 0.51(2) Uani D . P 1 2 .
C158 C 0.7037(9) 0.5712(4) 0.8342(10) 0.1802 0.49(2) Uani D . P 1 1 .
C159 C 0.7083(4) 0.5386(4) 0.8468(4) 0.0669 0.51(2) Uani D . P 1 2 .
C160 C 0.6694(5) 0.5493(4) 0.7920(7) 0.1775 0.49(2) Uani D . P 1 1 .
C161 C 0.6728(3) 0.5226(3) 0.8024(3) 0.0525 0.51(2) Uani D . P 1 2 .
O162 O 0.5178(2) 0.61175(19) 0.71512(19) 0.0341 1.0000 Uani . . . . . .
C163 C 0.5255(3) 0.6575(3) 0.7048(3) 0.0329 1.0000 Uani . . . . . .
O164 O 0.4715(2) 0.32349(19) 0.34090(19) 0.0339 1.0000 Uani . . . . . .
C165 C 0.5304(4) 0.6930(3) 0.7522(3) 0.0364 1.0000 Uani . . . . . .
C166 C 0.5361(4) 0.7445(3) 0.7437(4) 0.0443 1.0000 Uani . . . . . .
C167 C 0.5408(4) 0.7766(4) 0.7887(4) 0.0524 1.0000 Uani . . . . . .
C168 C 0.5386(5) 0.7576(4) 0.8382(4) 0.0666 1.0000 Uani . . . . . .
C169 C 0.5338(6) 0.7059(5) 0.8464(4) 0.0722 1.0000 Uani . . . . . .
C170 C 0.5296(5) 0.6737(4) 0.8035(3) 0.0514 1.0000 Uani . . . . . .
O171 O 0.5647(2) 0.49293(17) 0.50185(17) 0.0255 1.0000 Uani . . . . . .
N172 N 0.7204(3) 0.5707(2) 0.6224(2) 0.0328 1.0000 Uani . . . . . .
C173 C 0.7488(4) 0.6133(3) 0.6102(3) 0.0378 1.0000 Uani . . . . . .
C174 C 0.7939(4) 0.6352(3) 0.6420(4) 0.0462 1.0000 Uani . . . . . .
C175 C 0.8101(4) 0.6128(3) 0.6890(3) 0.0465 1.0000 Uani . . . . . .
C176 C 0.7810(5) 0.5685(4) 0.7027(3) 0.0532 1.0000 Uani . . . . . .
C177 C 0.7371(4) 0.5490(3) 0.6687(3) 0.0423 1.0000 Uani . . . . . .
N178 N 0.6849(3) 0.3785(3) 0.3869(3) 0.0371 1.0000 Uani . . . . . .
C179 C 0.7016(4) 0.3339(3) 0.4027(4) 0.0450 1.0000 Uani . . . . . .
C180 C 0.7274(5) 0.2966(4) 0.3708(4) 0.0553 1.0000 Uani . . . . . .
C181 C 0.7326(5) 0.3072(5) 0.3179(4) 0.0677 1.0000 Uani . . . . . .
C182 C 0.7156(7) 0.3535(6) 0.3003(4) 0.0924 1.0000 Uani . . . . . .
C183 C 0.6912(5) 0.3879(5) 0.3356(4) 0.0696 1.0000 Uani . . . . . .
N184 N 0.2137(3) 0.3430(3) 0.6566(3) 0.0397 1.0000 Uani . . . . . .
C185 C 0.2328(4) 0.2964(3) 0.6689(3) 0.0421 1.0000 Uani . . . . . .
C186 C 0.1932(5) 0.2574(3) 0.6818(4) 0.0509 1.0000 Uani . . . . . .
C187 C 0.1307(5) 0.2678(4) 0.6825(4) 0.0543 1.0000 Uani . . . . . .
C188 C 0.1109(4) 0.3157(3) 0.6715(3) 0.0466 1.0000 Uani . . . . . .
C189 C 0.1540(4) 0.3525(3) 0.6583(3) 0.0389 1.0000 Uani . . . . . .
N190 N 0.7198(3) 0.2879(3) 0.6717(3) 0.0444 1.0000 Uani . . . . . .
C191 C 0.6844(5) 0.2661(3) 0.7063(4) 0.0509 1.0000 Uani . . . . . .
C192 C 0.7041(6) 0.2293(5) 0.7401(5) 0.0809 1.0000 Uani . . . . . .
C193 C 0.7655(6) 0.2144(5) 0.7387(5) 0.0850 1.0000 Uani . . . . . .
C194 C 0.8029(5) 0.2371(4) 0.7028(4) 0.0633 1.0000 Uani . . . . . .
C195 C 0.7786(4) 0.2745(4) 0.6703(4) 0.0517 1.0000 Uani . . . . . .
N196 N 0.9380(4) 0.3958(4) 0.5697(5) 0.1116 1.0000 Uani D . . . . .
C197 C 0.9671(5) 0.3912(3) 0.6175(4) 0.1035 1.0000 Uani D . . . . .
C198 C 1.0128(5) 0.4139(4) 0.6283(3) 0.0883 1.0000 Uani D . . . . .
C199 C 1.0399(4) 0.4481(3) 0.5899(5) 0.0958 1.0000 Uani D . . . . .
C200 C 1.0082(5) 0.4510(4) 0.5404(4) 0.1155 1.0000 Uani D . . . . .
C201 C 0.9614(5) 0.4267(4) 0.5327(4) 0.1144 1.0000 Uani D . . . . .
N202 N 0.9828(5) 0.1163(5) 0.4777(5) 0.1455 1.0000 Uani D . . . . .
C203 C 0.9559(5) 0.1230(4) 0.4304(6) 0.1471 1.0000 Uani D . . . . .
C204 C 0.9583(5) 0.0916(5) 0.3872(5) 0.1469 1.0000 Uani D . . . . .
C205 C 0.9927(6) 0.0490(5) 0.3915(6) 0.1534 1.0000 Uani D . . . . .
C206 C 1.0221(5) 0.0399(4) 0.4390(7) 0.1607 1.0000 Uani D . . . . .
C207 C 1.0150(5) 0.0742(5) 0.4792(5) 0.1572 1.0000 Uani D . . . . .
N208 N 0.4393(5) 0.1531(5) 0.4938(9) 0.2218 1.0000 Uani D . . . . .
C209 C 0.4554(5) 0.1440(6) 0.5439(8) 0.2216 1.0000 Uani D . . . . .
C210 C 0.4717(5) 0.0980(8) 0.5632(6) 0.2324 1.0000 Uani D . . . . .
C211 C 0.4698(5) 0.0638(5) 0.5248(9) 0.2379 1.0000 Uani D . . . . .
C212 C 0.4549(5) 0.0666(6) 0.4736(8) 0.2358 1.0000 Uani D . . . . .
C213 C 0.4393(5) 0.1147(7) 0.4604(6) 0.2287 1.0000 Uani D . . . . .
H301 H 0.5105 0.1603 0.6943 0.0774 1.0000 Uiso R . . . . .
H311 H 0.5651 0.0848 0.7087 0.0947 1.0000 Uiso R . . . . .
H321 H 0.6520 0.0696 0.6625 0.1105 1.0000 Uiso R . . . . .
H331 H 0.6937 0.1320 0.6063 0.1060 1.0000 Uiso R . . . . .
H341 H 0.6406 0.2077 0.5937 0.0771 1.0000 Uiso R . . . . .
H401 H 0.5785 0.2656 0.3525 0.0634 1.0000 Uiso R . . . . .
H411 H 0.5875 0.2036 0.2871 0.0801 1.0000 Uiso R . . . . .
H421 H 0.5859 0.1185 0.3092 0.0907 1.0000 Uiso R . . . . .
H431 H 0.5802 0.0956 0.3962 0.1050 1.0000 Uiso R . . . . .
H441 H 0.5742 0.1564 0.4638 0.0811 1.0000 Uiso R . . . . .
H491 H 0.6986 0.1940 0.5078 0.0629 1.0000 Uiso R . . . . .
H501 H 0.7531 0.1215 0.4921 0.0881 1.0000 Uiso R . . . . .
H511 H 0.8579 0.1200 0.5019 0.0877 1.0000 Uiso R . . . . .
H521 H 0.9106 0.1920 0.5289 0.0751 1.0000 Uiso R . . . . .
H531 H 0.8555 0.2656 0.5494 0.0602 1.0000 Uiso R . . . . .
H591 H 0.8749 0.3885 0.6895 0.0589 1.0000 Uiso R . . . . .
H601 H 0.9524 0.4051 0.7528 0.0823 1.0000 Uiso R . . . . .
H611 H 0.9309 0.4476 0.8320 0.1042 1.0000 Uiso R . . . . .
H621 H 0.8284 0.4683 0.8501 0.0956 1.0000 Uiso R . . . . .
H631 H 0.7498 0.4466 0.7900 0.0642 1.0000 Uiso R . . . . .
H681 H 0.8484 0.4209 0.3457 0.0686 1.0000 Uiso R . . . . .
H691 H 0.9009 0.3607 0.2933 0.0927 1.0000 Uiso R . . . . .
H701 H 0.9321 0.2864 0.3289 0.1038 1.0000 Uiso R . . . . .
H711 H 0.9174 0.2682 0.4167 0.0978 1.0000 Uiso R . . . . .
H721 H 0.8633 0.3248 0.4698 0.0676 1.0000 Uiso R . . . . .
H771 H 0.9069 0.5883 0.5442 0.0520 1.0000 Uiso R . . . . .
H781 H 0.9816 0.6248 0.6005 0.0794 1.0000 Uiso R . . . . .
H791 H 1.0053 0.5885 0.6813 0.0843 1.0000 Uiso R . . . . .
H801 H 0.9523 0.5173 0.7108 0.0705 1.0000 Uiso R . . . . .
H811 H 0.8774 0.4813 0.6559 0.0496 1.0000 Uiso R . . . . .
H861 H 0.0806 0.3572 0.5335 0.0446 1.0000 Uiso R . . . . .
H871 H 0.0016 0.2963 0.5281 0.0547 1.0000 Uiso R . . . . .
H881 H 0.0258 0.2115 0.5239 0.0549 1.0000 Uiso R . . . . .
H891 H 0.1270 0.1852 0.5258 0.0536 1.0000 Uiso R . . . . .
H901 H 0.2060 0.2447 0.5281 0.0475 1.0000 Uiso R . . . . .
H951 H 0.2465 0.4841 0.7859 0.0607 1.0000 Uiso R . . . . .
H961 H 0.1802 0.5013 0.8570 0.0705 1.0000 Uiso R . . . . .
H971 H 0.0760 0.5071 0.8432 0.0704 1.0000 Uiso R . . . . .
H981 H 0.0354 0.4950 0.7594 0.0883 1.0000 Uiso R . . . . .
H991 H 0.0989 0.4797 0.6871 0.0710 1.0000 Uiso R . . . . .
H1041 H 0.2991 0.1808 0.5432 0.0703 1.0000 Uiso R . . . . .
H1051 H 0.2618 0.1088 0.5847 0.1042 1.0000 Uiso R . . . . .
H1061 H 0.2739 0.0970 0.6755 0.0962 1.0000 Uiso R . . . . .
H1071 H 0.3325 0.1547 0.7260 0.0818 1.0000 Uiso R . . . . .
H1081 H 0.3691 0.2291 0.6855 0.0571 1.0000 Uiso R . . . . .
H1141 H 0.2658 0.2753 0.4409 0.0656 1.0000 Uiso R . . . . .
H1151 H 0.1945 0.2242 0.3973 0.1240 1.0000 Uiso R . . . . .
H1161 H 0.2244 0.1662 0.3353 0.1552 1.0000 Uiso R . . . . .
H1171 H 0.3281 0.1620 0.3095 0.0976 1.0000 Uiso R . . . . .
H1181 H 0.4016 0.2060 0.3608 0.0709 1.0000 Uiso R . . . . .
H1231 H 0.2761 0.3859 0.7464 0.0556 1.0000 Uiso R . . . . .
H1241 H 0.2045 0.3801 0.8154 0.0637 1.0000 Uiso R . . . . .
H1251 H 0.2304 0.3381 0.8925 0.0746 1.0000 Uiso R . . . . .
H1261 H 0.3232 0.2965 0.9001 0.0937 1.0000 Uiso R . . . . .
H1271 H 0.3959 0.3036 0.8328 0.0752 1.0000 Uiso R . . . . .
H1331 H 0.4121 0.6037 0.7683 0.0701 1.0000 Uiso R . . . . .
H1341 H 0.3993 0.6509 0.8462 0.1089 1.0000 Uiso R . . . . .
H1351 H 0.3659 0.6106 0.9232 0.1345 1.0000 Uiso R . . . . .
H1361 H 0.3390 0.5265 0.9218 0.1167 1.0000 Uiso R . . . . .
H1371 H 0.3505 0.4791 0.8439 0.0748 1.0000 Uiso R . . . . .
H1421 H 0.5487 0.2612 0.7535 0.0630 1.0000 Uiso R . . . . .
H1431 H 0.5526 0.2055 0.8261 0.0733 1.0000 Uiso R . . . . .
H1441 H 0.5650 0.2366 0.9111 0.0706 1.0000 Uiso R . . . . .
H1451 H 0.5818 0.3218 0.9248 0.0802 1.0000 Uiso R . . . . .
H1461 H 0.5867 0.3770 0.8524 0.0645 1.0000 Uiso R . . . . .
H1521 H 0.5417 0.5344 0.8523 0.1852 0.49(2) Uiso R . P 1 1 .
H1531 H 0.5403 0.5577 0.8430 0.0437 0.51(2) Uiso R . P 1 2 .
H1541 H 0.5988 0.5707 0.9234 0.1920 0.49(2) Uiso R . P 1 1 .
H1551 H 0.5996 0.5866 0.9164 0.0623 0.51(2) Uiso R . P 1 2 .
H1561 H 0.7003 0.5919 0.9110 0.1879 0.49(2) Uiso R . P 1 1 .
H1571 H 0.7040 0.5717 0.9186 0.0746 0.51(2) Uiso R . P 1 2 .
H1581 H 0.7458 0.5788 0.8294 0.1809 0.49(2) Uiso R . P 1 1 .
H1591 H 0.7512 0.5325 0.8477 0.0745 0.51(2) Uiso R . P 1 2 .
H1601 H 0.6880 0.5423 0.7589 0.1762 0.49(2) Uiso R . P 1 1 .
H1611 H 0.6916 0.5066 0.7730 0.0585 0.51(2) Uiso R . P 1 2 .
H1661 H 0.5368 0.7579 0.7086 0.0532 1.0000 Uiso R . . . . .
H1671 H 0.5456 0.8119 0.7838 0.0629 1.0000 Uiso R . . . . .
H1681 H 0.5404 0.7798 0.8679 0.0799 1.0000 Uiso R . . . . .
H1691 H 0.5334 0.6928 0.8817 0.0869 1.0000 Uiso R . . . . .
H1701 H 0.5263 0.6384 0.8090 0.0617 1.0000 Uiso R . . . . .
H1731 H 0.7377 0.6298 0.5779 0.0454 1.0000 Uiso R . . . . .
H1741 H 0.8133 0.6655 0.6311 0.0554 1.0000 Uiso R . . . . .
H1751 H 0.8405 0.6273 0.7117 0.0558 1.0000 Uiso R . . . . .
H1761 H 0.7912 0.5517 0.7350 0.0639 1.0000 Uiso R . . . . .
H1771 H 0.7174 0.5185 0.6786 0.0508 1.0000 Uiso R . . . . .
H1791 H 0.6957 0.3260 0.4392 0.0540 1.0000 Uiso R . . . . .
H1801 H 0.7409 0.2654 0.3853 0.0663 1.0000 Uiso R . . . . .
H1811 H 0.7476 0.2826 0.2938 0.0812 1.0000 Uiso R . . . . .
H1821 H 0.7206 0.3624 0.2639 0.1108 1.0000 Uiso R . . . . .
H1831 H 0.6783 0.4198 0.3223 0.0834 1.0000 Uiso R . . . . .
H1851 H 0.2755 0.2896 0.6689 0.0504 1.0000 Uiso R . . . . .
H1861 H 0.2082 0.2246 0.6898 0.0611 1.0000 Uiso R . . . . .
H1871 H 0.1022 0.2420 0.6906 0.0649 1.0000 Uiso R . . . . .
H1881 H 0.0686 0.3238 0.6729 0.0559 1.0000 Uiso R . . . . .
H1891 H 0.1401 0.3856 0.6503 0.0466 1.0000 Uiso R . . . . .
H1911 H 0.6428 0.2764 0.7080 0.0613 1.0000 Uiso R . . . . .
H1921 H 0.6766 0.2139 0.7642 0.0977 1.0000 Uiso R . . . . .
H1931 H 0.7808 0.1892 0.7621 0.1025 1.0000 Uiso R . . . . .
H1941 H 0.8447 0.2276 0.7003 0.0760 1.0000 Uiso R . . . . .
H1951 H 0.8048 0.2911 0.6460 0.0621 1.0000 Uiso R . . . . .
H2031 H 0.9325 0.1529 0.4262 0.1762 1.0000 Uiso R . . . . .
H2041 H 0.9365 0.0993 0.3552 0.1756 1.0000 Uiso R . . . . .
H2051 H 0.9961 0.0263 0.3625 0.1832 1.0000 Uiso R . . . . .
H2061 H 1.0467 0.0106 0.4439 0.1921 1.0000 Uiso R . . . . .
H2071 H 1.0356 0.0668 0.5118 0.1883 1.0000 Uiso R . . . . .
H2091 H 0.4556 0.1717 0.5679 0.2685 1.0000 Uiso R . . . . .
H2101 H 0.4832 0.0915 0.5991 0.2814 1.0000 Uiso R . . . . .
H2111 H 0.4814 0.0309 0.5361 0.2878 1.0000 Uiso R . . . . .
H2121 H 0.4548 0.0391 0.4494 0.2857 1.0000 Uiso R . . . . .
H2131 H 0.4272 0.1213 0.4246 0.2772 1.0000 Uiso R . . . . .
H1961 H 0.9407 0.4297 0.4994 0.1367 1.0000 Uiso R . . . . .
H1962 H 1.0234 0.4720 0.5129 0.1379 1.0000 Uiso R . . . . .
H1963 H 1.0760 0.4670 0.5974 0.1143 1.0000 Uiso R . . . . .
H1964 H 1.0316 0.4095 0.6623 0.1049 1.0000 Uiso R . . . . .
H1965 H 0.9554 0.3796 0.6517 0.1231 1.0000 Uiso R . . . . .
H161 H 0.2708 0.3823 0.6204 0.0346 1.0000 Uiso R . . . . .
H221 H 0.6788 0.3358 0.6313 0.0362 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ce -0.2486 2.6331 21.1671 2.8122 19.7695 0.2268 11.8513 17.6083 3.3305 127.1130
1.8626 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ce3 2_666 Ce1 . Ce1 2_666 60.172(11) yes
Ce3 2_666 Ce1 . O171 2_666 33.95(11) yes
Ce1 2_666 Ce1 . O171 2_666 36.74(11) yes
Ce3 2_666 Ce1 . Ce2 . 91.906(11) yes
Ce1 2_666 Ce1 . Ce2 . 60.789(11) yes
O171 2_666 Ce1 . Ce2 . 92.17(10) yes
Ce3 2_666 Ce1 . Ce4 . 59.525(10) yes
Ce1 2_666 Ce1 . Ce4 . 87.775(13) yes
O171 2_666 Ce1 . Ce4 . 87.98(11) yes
Ce2 . Ce1 . Ce4 . 59.244(9) yes
Ce3 2_666 Ce1 . Ce5 . 118.136(13) yes
Ce1 2_666 Ce1 . Ce5 . 88.174(13) yes
O171 2_666 Ce1 . Ce5 . 88.75(11) yes
Ce2 . Ce1 . Ce5 . 118.526(12) yes
Ce4 . Ce1 . Ce5 . 175.949(13) yes
Ce3 2_666 Ce1 . Ce8 . 177.499(13) yes
Ce1 2_666 Ce1 . Ce8 . 120.726(15) yes
O171 2_666 Ce1 . Ce8 . 145.34(11) yes
Ce2 . Ce1 . Ce8 . 90.522(11) yes
Ce4 . Ce1 . Ce8 . 122.425(13) yes
Ce3 2_666 Ce1 . O9 . 144.22(12) yes
Ce1 2_666 Ce1 . O9 . 90.15(11) yes
O171 2_666 Ce1 . O9 . 110.27(16) yes
Ce2 . Ce1 . O9 . 89.73(11) yes
Ce4 . Ce1 . O9 . 145.18(12) yes
Ce3 2_666 Ce1 . Ce11 . 119.415(12) yes
Ce1 2_666 Ce1 . Ce11 . 179.282(18) yes
O171 2_666 Ce1 . Ce11 . 142.59(11) yes
Ce2 . Ce1 . Ce11 . 119.908(13) yes
Ce4 . Ce1 . Ce11 . 92.480(11) yes
Ce3 2_666 Ce1 . Ce12 . 90.401(11) yes
Ce1 2_666 Ce1 . Ce12 . 120.128(16) yes
O171 2_666 Ce1 . Ce12 . 89.46(10) yes
Ce2 . Ce1 . Ce12 . 177.636(13) yes
Ce4 . Ce1 . Ce12 . 122.560(13) yes
Ce3 2_666 Ce1 . Ce13 . 59.594(9) yes
Ce1 2_666 Ce1 . Ce13 . 119.726(16) yes
O171 2_666 Ce1 . Ce13 . 88.73(11) yes
Ce2 . Ce1 . Ce13 . 119.340(12) yes
Ce4 . Ce1 . Ce13 . 60.182(10) yes
Ce3 2_666 Ce1 . O14 . 87.35(12) yes
Ce1 2_666 Ce1 . O14 . 142.39(12) yes
O171 2_666 Ce1 . O14 . 105.65(16) yes
Ce2 . Ce1 . O14 . 145.45(12) yes
Ce4 . Ce1 . O14 . 91.46(12) yes
Ce3 2_666 Ce1 . O25 . 145.80(12) yes
Ce1 2_666 Ce1 . O25 . 143.73(11) yes
O171 2_666 Ce1 . O25 . 179.53(15) yes
Ce2 . Ce1 . O25 . 88.23(11) yes
Ce4 . Ce1 . O25 . 92.01(12) yes
Ce3 2_666 Ce1 . O35 . 89.98(12) yes
Ce1 2_666 Ce1 . O35 . 89.64(11) yes
O171 2_666 Ce1 . O35 . 109.25(16) yes
Ce2 . Ce1 . O35 . 35.22(11) yes
Ce4 . Ce1 . O35 . 34.48(12) yes
Ce3 2_666 Ce1 . O109 . 34.84(11) yes
Ce1 2_666 Ce1 . O109 . 88.82(11) yes
O171 2_666 Ce1 . O109 . 68.77(16) yes
Ce2 . Ce1 . O109 . 89.89(11) yes
Ce4 . Ce1 . O109 . 34.91(12) yes
Ce3 2_666 Ce1 . O128 . 89.49(12) yes
Ce1 2_666 Ce1 . O128 . 89.45(11) yes
O171 2_666 Ce1 . O128 . 69.93(16) yes
Ce2 . Ce1 . O128 . 144.06(11) yes
Ce4 . Ce1 . O128 . 145.38(12) yes
Ce3 2_666 Ce1 . O171 . 92.11(11) yes
Ce1 2_666 Ce1 . O171 . 37.04(11) yes
O171 2_666 Ce1 . O171 . 73.78(18) yes
Ce2 . Ce1 . O171 . 34.77(11) yes
Ce4 . Ce1 . O171 . 88.46(11) yes
Ce5 . Ce1 . Ce8 . 60.022(10) yes
Ce5 . Ce1 . O9 . 34.86(12) yes
Ce8 . Ce1 . O9 . 35.16(12) yes
Ce5 . Ce1 . Ce11 . 91.571(11) yes
Ce8 . Ce1 . Ce11 . 59.659(10) yes
O9 . Ce1 . Ce11 . 90.03(11) yes
Ce5 . Ce1 . Ce12 . 59.777(10) yes
Ce8 . Ce1 . Ce12 . 87.166(11) yes
O9 . Ce1 . Ce12 . 88.09(11) yes
Ce11 . Ce1 . Ce12 . 59.183(10) yes
Ce5 . Ce1 . Ce13 . 122.132(13) yes
Ce8 . Ce1 . Ce13 . 119.547(12) yes
O9 . Ce1 . Ce13 . 145.21(11) yes
Ce11 . Ce1 . Ce13 . 59.888(10) yes
Ce12 . Ce1 . Ce13 . 62.397(10) yes
Ce5 . Ce1 . O14 . 91.72(12) yes
Ce8 . Ce1 . O14 . 90.99(12) yes
O9 . Ce1 . O14 . 110.50(16) yes
Ce11 . Ce1 . O14 . 36.94(12) yes
Ce12 . Ce1 . O14 . 35.21(12) yes
Ce5 . Ce1 . O25 . 91.28(12) yes
Ce8 . Ce1 . O25 . 34.89(12) yes
O9 . Ce1 . O25 . 69.97(17) yes
Ce11 . Ce1 . O25 . 36.94(11) yes
Ce12 . Ce1 . O25 . 90.15(11) yes
Ce5 . Ce1 . O35 . 145.54(12) yes
Ce8 . Ce1 . O35 . 92.35(12) yes
O9 . Ce1 . O35 . 110.80(17) yes
Ce11 . Ce1 . O35 . 90.95(11) yes
Ce12 . Ce1 . O35 . 145.34(11) yes
Ce5 . Ce1 . O109 . 144.92(12) yes
Ce8 . Ce1 . O109 . 145.81(11) yes
O9 . Ce1 . O109 . 178.96(15) yes
Ce11 . Ce1 . O109 . 91.00(11) yes
Ce12 . Ce1 . O109 . 92.30(11) yes
Ce5 . Ce1 . O128 . 34.49(12) yes
Ce8 . Ce1 . O128 . 88.19(12) yes
O9 . Ce1 . O128 . 69.29(17) yes
Ce11 . Ce1 . O128 . 89.96(11) yes
Ce12 . Ce1 . O128 . 35.42(11) yes
Ce5 . Ce1 . O171 . 88.33(11) yes
Ce8 . Ce1 . O171 . 89.54(11) yes
O9 . Ce1 . O171 . 69.83(16) yes
Ce11 . Ce1 . O171 . 143.63(11) yes
Ce12 . Ce1 . O171 . 144.61(11) yes
Ce13 . Ce1 . O14 . 34.78(12) yes
Ce13 . Ce1 . O25 . 90.86(12) yes
O14 . Ce1 . O25 . 73.88(17) yes
Ce13 . Ce1 . O35 . 88.37(11) yes
O14 . Ce1 . O35 . 110.23(16) yes
O25 . Ce1 . O35 . 70.96(16) yes
Ce13 . Ce1 . O109 . 35.62(11) yes
O14 . Ce1 . O109 . 70.29(16) yes
O25 . Ce1 . O109 . 110.99(17) yes
O35 . Ce1 . O109 . 69.34(16) yes
Ce13 . Ce1 . O128 . 92.01(12) yes
O14 . Ce1 . O128 . 70.49(16) yes
O25 . Ce1 . O128 . 109.86(16) yes
O35 . Ce1 . O128 . 179.09(15) yes
O109 . Ce1 . O128 . 110.55(16) yes
Ce13 . Ce1 . O171 . 144.91(11) yes
O14 . Ce1 . O171 . 179.42(16) yes
O25 . Ce1 . O171 . 106.69(16) yes
O35 . Ce1 . O171 . 69.99(16) yes
O109 . Ce1 . O171 . 109.37(16) yes
O128 . Ce1 . O171 . 109.29(16) yes
Ce1 . Ce2 . Ce12 2_666 117.305(13) yes
Ce1 . Ce2 . Ce5 2_666 87.176(11) yes
Ce12 2_666 Ce2 . Ce5 2_666 58.797(10) yes
Ce1 . Ce2 . O128 2_666 87.48(11) yes
Ce12 2_666 Ce2 . O128 2_666 34.49(11) yes
Ce5 2_666 Ce2 . O128 2_666 34.45(11) yes
Ce1 . Ce2 . Ce3 . 60.654(9) yes
Ce12 2_666 Ce2 . Ce3 . 90.580(11) yes
Ce5 2_666 Ce2 . Ce3 . 119.485(13) yes
O128 2_666 Ce2 . Ce3 . 90.40(11) yes
Ce1 . Ce2 . O7 . 87.17(11) yes
Ce12 2_666 Ce2 . O7 . 86.69(12) yes
Ce5 2_666 Ce2 . O7 . 32.30(12) yes
O128 2_666 Ce2 . O7 . 66.75(16) yes
Ce3 . Ce2 . O7 . 141.91(11) yes
Ce1 . Ce2 . Ce15 . 121.145(12) yes
Ce12 2_666 Ce2 . Ce15 . 58.637(10) yes
Ce5 2_666 Ce2 . Ce15 . 117.431(12) yes
O128 2_666 Ce2 . Ce15 . 87.98(11) yes
Ce3 . Ce2 . Ce15 . 60.739(9) yes
Ce1 . Ce2 . O18 . 137.08(12) yes
Ce12 2_666 Ce2 . O18 . 31.77(12) yes
Ce5 2_666 Ce2 . O18 . 88.17(12) yes
O128 2_666 Ce2 . O18 . 65.98(16) yes
Ce3 . Ce2 . O18 . 85.33(11) yes
Ce1 . Ce2 . O19 . 93.70(11) yes
Ce12 2_666 Ce2 . O19 . 92.41(11) yes
Ce5 2_666 Ce2 . O19 . 147.14(11) yes
O128 2_666 Ce2 . O19 . 112.71(16) yes
Ce3 . Ce2 . O19 . 38.56(11) yes
Ce1 . Ce2 . Ce20 . 87.574(11) yes
Ce12 2_666 Ce2 . Ce20 . 126.650(13) yes
Ce5 2_666 Ce2 . Ce20 . 173.930(13) yes
O128 2_666 Ce2 . Ce20 . 148.18(11) yes
Ce3 . Ce2 . Ce20 . 60.050(10) yes
Ce1 . Ce2 . Ce21 . 58.437(10) yes
Ce12 2_666 Ce2 . Ce21 . 173.791(14) yes
Ce5 2_666 Ce2 . Ce21 . 115.435(12) yes
O128 2_666 Ce2 . Ce21 . 139.43(11) yes
Ce3 . Ce2 . Ce21 . 90.749(11) yes
Ce1 . Ce2 . O23 . 81.99(12) yes
Ce12 2_666 Ce2 . O23 . 154.14(12) yes
Ce5 2_666 Ce2 . O23 . 144.13(12) yes
O128 2_666 Ce2 . O23 . 169.46(16) yes
Ce3 . Ce2 . O23 . 84.27(12) yes
Ce1 . Ce2 . O35 . 34.34(11) yes
Ce12 2_666 Ce2 . O35 . 139.11(12) yes
Ce5 2_666 Ce2 . O35 . 85.60(11) yes
O128 2_666 Ce2 . O35 . 104.62(16) yes
Ce3 . Ce2 . O35 . 90.52(11) yes
Ce1 . Ce2 . O171 . 35.56(11) yes
Ce12 2_666 Ce2 . O171 . 88.51(11) yes
Ce5 2_666 Ce2 . O171 . 88.80(12) yes
O128 2_666 Ce2 . O171 . 69.58(16) yes
Ce3 . Ce2 . O171 . 35.26(11) yes
Ce1 . Ce2 . N178 . 143.70(14) yes
Ce12 2_666 Ce2 . N178 . 94.18(15) yes
Ce5 2_666 Ce2 . N178 . 95.13(14) yes
O128 2_666 Ce2 . N178 . 114.22(18) yes
Ce3 . Ce2 . N178 . 141.55(14) yes
O7 . Ce2 . Ce15 . 141.89(11) yes
O7 . Ce2 . O18 . 109.92(16) yes
Ce15 . Ce2 . O18 . 31.98(11) yes
O7 . Ce2 . O19 . 178.97(15) yes
Ce15 . Ce2 . O19 . 37.08(10) yes
O18 . Ce2 . O19 . 69.05(15) yes
O7 . Ce2 . Ce20 . 144.24(12) yes
Ce15 . Ce2 . Ce20 . 68.056(10) yes
O18 . Ce2 . Ce20 . 97.75(12) yes
O19 . Ce2 . Ce20 . 36.45(11) yes
O7 . Ce2 . Ce21 . 88.52(11) yes
Ce15 . Ce2 . Ce21 . 127.043(13) yes
O18 . Ce2 . Ce21 . 154.43(12) yes
O19 . Ce2 . Ce21 . 92.41(11) yes
Ce20 . Ce2 . Ce21 . 58.992(10) yes
O7 . Ce2 . O23 . 112.68(17) yes
Ce15 . Ce2 . O23 . 97.26(12) yes
O18 . Ce2 . O23 . 122.39(17) yes
O19 . Ce2 . O23 . 68.02(16) yes
Ce20 . Ce2 . O23 . 31.59(12) yes
O7 . Ce2 . O35 . 68.17(16) yes
Ce15 . Ce2 . O35 . 149.03(11) yes
O18 . Ce2 . O35 . 169.63(17) yes
O19 . Ce2 . O35 . 112.86(15) yes
Ce20 . Ce2 . O35 . 88.34(11) yes
O7 . Ce2 . O171 . 106.66(16) yes
Ce15 . Ce2 . O171 . 89.09(11) yes
O18 . Ce2 . O171 . 101.73(16) yes
O19 . Ce2 . O171 . 73.82(16) yes
Ce20 . Ce2 . O171 . 88.70(11) yes
O7 . Ce2 . N178 . 76.51(18) yes
Ce15 . Ce2 . N178 . 89.77(14) yes
O18 . Ce2 . N178 . 79.21(19) yes
O19 . Ce2 . N178 . 103.06(18) yes
Ce20 . Ce2 . N178 . 87.31(14) yes
Ce21 . Ce2 . O23 . 32.07(12) yes
Ce21 . Ce2 . O35 . 34.81(11) yes
O23 . Ce2 . O35 . 66.45(16) yes
Ce21 . Ce2 . O171 . 89.08(11) yes
O23 . Ce2 . O171 . 101.25(16) yes
O35 . Ce2 . O171 . 69.89(16) yes
Ce21 . Ce2 . N178 . 88.54(15) yes
O23 . Ce2 . N178 . 75.08(19) yes
O35 . Ce2 . N178 . 109.59(18) yes
O171 . Ce2 . N178 . 175.99(18) yes
Ce1 2_666 Ce3 . Ce4 2_666 58.977(9) yes
Ce1 2_666 Ce3 . Ce2 . 60.729(10) yes
Ce4 2_666 Ce3 . Ce2 . 119.666(12) yes
Ce1 2_666 Ce3 . Ce13 2_666 58.323(9) yes
Ce4 2_666 Ce3 . Ce13 2_666 59.559(10) yes
Ce2 . Ce3 . Ce13 2_666 90.673(11) yes
Ce1 2_666 Ce3 . O109 2_666 33.97(11) yes
Ce4 2_666 Ce3 . O109 2_666 34.90(11) yes
Ce2 . Ce3 . O109 2_666 90.30(11) yes
Ce13 2_666 Ce3 . O109 2_666 35.00(11) yes
Ce1 2_666 Ce3 . Ce5 . 86.906(11) yes
Ce4 2_666 Ce3 . Ce5 . 55.700(10) yes
Ce2 . Ce3 . Ce5 . 119.403(12) yes
Ce13 2_666 Ce3 . Ce5 . 115.245(13) yes
O109 2_666 Ce3 . Ce5 . 85.28(11) yes
Ce1 2_666 Ce3 . O6 . 86.65(12) yes
Ce4 2_666 Ce3 . O6 . 32.63(12) yes
Ce2 . Ce3 . O6 . 141.84(12) yes
Ce13 2_666 Ce3 . O6 . 87.77(12) yes
O109 2_666 Ce3 . O6 . 67.52(16) yes
Ce1 2_666 Ce3 . Ce8 . 117.851(12) yes
Ce4 2_666 Ce3 . Ce8 . 115.086(12) yes
Ce2 . Ce3 . Ce8 . 90.675(11) yes
Ce13 2_666 Ce3 . Ce8 . 174.287(14) yes
O109 2_666 Ce3 . Ce8 . 139.43(11) yes
Ce1 2_666 Ce3 . O9 . 87.83(11) yes
Ce4 2_666 Ce3 . O9 . 85.53(12) yes
Ce2 . Ce3 . O9 . 90.34(11) yes
Ce13 2_666 Ce3 . O9 . 139.83(12) yes
O109 2_666 Ce3 . O9 . 104.83(16) yes
Ce1 2_666 Ce3 . Ce15 . 87.178(11) yes
Ce4 2_666 Ce3 . Ce15 . 118.586(12) yes
Ce2 . Ce3 . Ce15 . 59.469(9) yes
Ce13 2_666 Ce3 . Ce15 . 59.065(10) yes
O109 2_666 Ce3 . Ce15 . 88.31(11) yes
Ce1 2_666 Ce3 . O17 . 82.09(12) yes
Ce4 2_666 Ce3 . O17 . 89.58(12) yes
Ce2 . Ce3 . O17 . 84.43(11) yes
Ce13 2_666 Ce3 . O17 . 32.09(12) yes
O109 2_666 Ce3 . O17 . 66.68(16) yes
Ce1 2_666 Ce3 . O19 . 93.60(11) yes
Ce4 2_666 Ce3 . O19 . 147.62(11) yes
Ce2 . Ce3 . O19 . 38.35(11) yes
Ce13 2_666 Ce3 . O19 . 92.41(10) yes
O109 2_666 Ce3 . O19 . 112.73(15) yes
Ce1 2_666 Ce3 . O54 . 137.06(12) yes
Ce4 2_666 Ce3 . O54 . 142.93(12) yes
Ce2 . Ce3 . O54 . 85.03(11) yes
Ce13 2_666 Ce3 . O54 . 154.16(12) yes
O109 2_666 Ce3 . O54 . 169.44(16) yes
Ce1 2_666 Ce3 . O171 . 35.21(11) yes
Ce4 2_666 Ce3 . O171 . 88.55(12) yes
Ce2 . Ce3 . O171 . 35.49(11) yes
Ce13 2_666 Ce3 . O171 . 88.63(11) yes
O109 2_666 Ce3 . O171 . 69.17(16) yes
Ce1 2_666 Ce3 . N172 . 146.79(13) yes
Ce4 2_666 Ce3 . N172 . 96.65(13) yes
Ce2 . Ce3 . N172 . 138.08(13) yes
Ce13 2_666 Ce3 . N172 . 90.65(13) yes
O109 2_666 Ce3 . N172 . 113.31(17) yes
Ce5 . Ce3 . O6 . 32.86(11) yes
Ce5 . Ce3 . Ce8 . 59.391(10) yes
O6 . Ce3 . Ce8 . 87.74(12) yes
Ce5 . Ce3 . O9 . 34.81(11) yes
O6 . Ce3 . O9 . 67.67(16) yes
Ce8 . Ce3 . O9 . 34.61(12) yes
Ce5 . Ce3 . Ce15 . 173.499(14) yes
O6 . Ce3 . Ce15 . 143.88(12) yes
Ce8 . Ce3 . Ce15 . 126.157(13) yes
O9 . Ce3 . Ce15 . 147.48(11) yes
Ce5 . Ce3 . O17 . 143.90(12) yes
O6 . Ce3 . O17 . 111.85(17) yes
Ce8 . Ce3 . O17 . 153.62(12) yes
O9 . Ce3 . O17 . 169.92(16) yes
Ce15 . Ce3 . O17 . 32.02(12) yes
Ce5 . Ce3 . O19 . 147.09(11) yes
O6 . Ce3 . O19 . 179.74(16) yes
Ce8 . Ce3 . O19 . 92.10(10) yes
O9 . Ce3 . O19 . 112.28(16) yes
Ce15 . Ce3 . O19 . 36.22(11) yes
Ce5 . Ce3 . O54 . 88.77(12) yes
O6 . Ce3 . O54 . 111.08(17) yes
Ce8 . Ce3 . O54 . 31.54(12) yes
O9 . Ce3 . O54 . 65.81(17) yes
Ce15 . Ce3 . O54 . 97.40(12) yes
Ce5 . Ce3 . O171 . 88.61(11) yes
O6 . Ce3 . O171 . 106.36(16) yes
Ce8 . Ce3 . O171 . 89.24(11) yes
O9 . Ce3 . O171 . 69.91(15) yes
Ce15 . Ce3 . O171 . 88.11(11) yes
Ce5 . Ce3 . N172 . 97.53(13) yes
O6 . Ce3 . N172 . 80.07(18) yes
Ce8 . Ce3 . N172 . 92.05(13) yes
O9 . Ce3 . N172 . 114.26(17) yes
Ce15 . Ce3 . N172 . 85.98(13) yes
O17 . Ce3 . O19 . 68.24(16) yes
O17 . Ce3 . O54 . 122.07(17) yes
O19 . Ce3 . O54 . 68.70(16) yes
O17 . Ce3 . O171 . 101.20(15) yes
O19 . Ce3 . O171 . 73.84(16) yes
O54 . Ce3 . O171 . 102.02(16) yes
O17 . Ce3 . N172 . 75.03(17) yes
O19 . Ce3 . N172 . 99.74(17) yes
O54 . Ce3 . N172 . 76.10(18) yes
O171 . Ce3 . N172 . 173.50(17) yes
Ce3 2_666 Ce4 . Ce1 . 61.498(10) yes
Ce3 2_666 Ce4 . Ce5 2_666 61.969(10) yes
Ce1 . Ce4 . Ce5 2_666 91.996(11) yes
Ce3 2_666 Ce4 . O6 2_666 33.99(12) yes
Ce1 . Ce4 . O6 2_666 90.22(12) yes
Ce5 2_666 Ce4 . O6 2_666 37.39(12) yes
Ce3 2_666 Ce4 . O7 . 92.99(12) yes
Ce1 . Ce4 . O7 . 90.48(12) yes
Ce5 2_666 Ce4 . O7 . 36.81(12) yes
O6 2_666 Ce4 . O7 . 74.15(17) yes
Ce3 2_666 Ce4 . Ce13 . 59.982(10) yes
Ce1 . Ce4 . Ce13 . 59.295(10) yes
Ce5 2_666 Ce4 . Ce13 . 121.935(13) yes
O6 2_666 Ce4 . Ce13 . 89.38(12) yes
O7 . Ce4 . Ce13 . 145.87(12) yes
Ce3 2_666 Ce4 . Ce21 . 120.720(12) yes
Ce1 . Ce4 . Ce21 . 59.373(10) yes
Ce5 2_666 Ce4 . Ce21 . 123.243(13) yes
O6 2_666 Ce4 . Ce21 . 146.60(12) yes
O7 . Ce4 . Ce21 . 91.36(12) yes
Ce3 2_666 Ce4 . O24 . 100.37(10) yes
Ce1 . Ce4 . O24 . 59.42(10) yes
Ce5 2_666 Ce4 . O24 . 151.42(10) yes
O6 2_666 Ce4 . O24 . 133.57(16) yes
O7 . Ce4 . O24 . 133.69(16) yes
Ce3 2_666 Ce4 . O35 . 92.34(12) yes
Ce1 . Ce4 . O35 . 35.00(12) yes
Ce5 2_666 Ce4 . O35 . 93.10(11) yes
O6 2_666 Ce4 . O35 . 111.79(17) yes
O7 . Ce4 . O35 . 71.58(16) yes
Ce3 2_666 Ce4 . O36 . 162.13(11) yes
Ce1 . Ce4 . O36 . 101.10(11) yes
Ce5 2_666 Ce4 . O36 . 118.24(11) yes
O6 2_666 Ce4 . O36 . 154.19(16) yes
O7 . Ce4 . O36 . 82.56(17) yes
Ce3 2_666 Ce4 . O109 . 36.24(11) yes
Ce1 . Ce4 . O109 . 35.33(12) yes
Ce5 2_666 Ce4 . O109 . 92.31(11) yes
O6 2_666 Ce4 . O109 . 70.23(16) yes
O7 . Ce4 . O109 . 111.26(17) yes
Ce3 2_666 Ce4 . O110 . 71.19(10) yes
Ce1 . Ce4 . O110 . 99.05(10) yes
Ce5 2_666 Ce4 . O110 . 118.33(11) yes
O6 2_666 Ce4 . O110 . 81.81(16) yes
O7 . Ce4 . O110 . 154.17(16) yes
Ce3 2_666 Ce4 . C111 . 96.52(15) yes
Ce1 . Ce4 . C111 . 119.19(14) yes
Ce5 2_666 Ce4 . C111 . 128.72(14) yes
O6 2_666 Ce4 . C111 . 98.67(19) yes
O7 . Ce4 . C111 . 149.82(18) yes
Ce3 2_666 Ce4 . O112 . 121.57(12) yes
Ce1 . Ce4 . O112 . 126.07(12) yes
Ce5 2_666 Ce4 . O112 . 139.86(12) yes
O6 2_666 Ce4 . O112 . 120.40(17) yes
O7 . Ce4 . O112 . 137.60(17) yes
Ce3 2_666 Ce4 . O164 . 109.26(13) yes
Ce1 . Ce4 . O164 . 165.92(12) yes
Ce5 2_666 Ce4 . O164 . 73.98(12) yes
O6 2_666 Ce4 . O164 . 77.95(17) yes
O7 . Ce4 . O164 . 79.06(17) yes
Ce13 . Ce4 . Ce21 . 86.359(11) yes
Ce13 . Ce4 . O24 . 45.84(10) yes
Ce21 . Ce4 . O24 . 43.99(10) yes
Ce13 . Ce4 . O35 . 87.98(11) yes
Ce21 . Ce4 . O35 . 35.02(11) yes
O24 . Ce4 . O35 . 63.80(15) yes
Ce13 . Ce4 . O36 . 116.37(12) yes
Ce21 . Ce4 . O36 . 42.58(11) yes
O24 . Ce4 . O36 . 71.36(16) yes
O35 . Ce4 . O36 . 69.83(16) yes
Ce13 . Ce4 . O109 . 34.69(11) yes
Ce21 . Ce4 . O109 . 88.26(12) yes
O24 . Ce4 . O109 . 65.01(15) yes
O35 . Ce4 . O109 . 70.29(17) yes
O36 . Ce4 . O109 . 130.26(16) yes
Ce13 . Ce4 . O110 . 40.38(10) yes
Ce21 . Ce4 . O110 . 114.18(10) yes
O24 . Ce4 . O110 . 70.77(14) yes
O35 . Ce4 . O110 . 127.66(15) yes
O36 . Ce4 . O110 . 118.52(15) yes
Ce13 . Ce4 . C111 . 60.79(14) yes
Ce21 . Ce4 . C111 . 107.90(15) yes
O24 . Ce4 . C111 . 72.39(17) yes
O35 . Ce4 . C111 . 136.18(18) yes
O36 . Ce4 . C111 . 95.90(19) yes
Ce13 . Ce4 . O112 . 76.52(11) yes
Ce21 . Ce4 . O112 . 90.71(12) yes
O24 . Ce4 . O112 . 67.93(15) yes
O35 . Ce4 . O112 . 124.87(16) yes
O36 . Ce4 . O112 . 70.91(16) yes
Ce13 . Ce4 . O164 . 127.23(12) yes
Ce21 . Ce4 . O164 . 129.55(13) yes
O24 . Ce4 . O164 . 134.60(16) yes
O35 . Ce4 . O164 . 144.34(17) yes
O36 . Ce4 . O164 . 86.97(17) yes
O109 . Ce4 . O110 . 67.89(15) yes
O109 . Ce4 . C111 . 92.79(18) yes
O110 . Ce4 . C111 . 26.47(18) yes
O109 . Ce4 . O112 . 111.13(16) yes
O110 . Ce4 . O112 . 50.60(16) yes
C111 . Ce4 . O112 . 25.19(19) yes
O109 . Ce4 . O164 . 141.47(17) yes
O110 . Ce4 . O164 . 86.91(16) yes
C111 . Ce4 . O164 . 70.77(18) yes
O112 . Ce4 . O164 . 67.38(17) yes
Ce2 2_666 Ce5 . Ce3 . 93.997(11) yes
Ce2 2_666 Ce5 . Ce1 . 61.617(10) yes
Ce3 . Ce5 . Ce1 . 61.370(10) yes
Ce2 2_666 Ce5 . Ce4 2_666 61.629(10) yes
Ce3 . Ce5 . Ce4 2_666 62.331(10) yes
Ce1 . Ce5 . Ce4 2_666 92.055(11) yes
Ce2 2_666 Ce5 . O7 2_666 34.24(12) yes
Ce3 . Ce5 . O7 2_666 93.37(12) yes
Ce1 . Ce5 . O7 2_666 90.55(12) yes
Ce4 2_666 Ce5 . O7 2_666 36.86(12) yes
Ce2 2_666 Ce5 . O6 . 93.06(12) yes
Ce3 . Ce5 . O6 . 34.27(12) yes
Ce1 . Ce5 . O6 . 90.24(12) yes
Ce4 2_666 Ce5 . O6 . 37.43(12) yes
O7 2_666 Ce5 . O6 . 74.23(17) yes
Ce2 2_666 Ce5 . O9 . 93.04(12) yes
Ce3 . Ce5 . O9 . 36.60(11) yes
Ce1 . Ce5 . O9 . 35.70(12) yes
Ce4 2_666 Ce5 . O9 . 93.32(11) yes
O7 2_666 Ce5 . O9 . 112.35(16) yes
Ce2 2_666 Ce5 . O10 . 100.36(10) yes
Ce3 . Ce5 . O10 . 100.20(10) yes
Ce1 . Ce5 . O10 . 59.57(10) yes
Ce4 2_666 Ce5 . O10 . 151.63(10) yes
O7 2_666 Ce5 . O10 . 133.75(16) yes
Ce2 2_666 Ce5 . Ce12 . 60.826(10) yes
Ce3 . Ce5 . Ce12 . 121.045(12) yes
Ce1 . Ce5 . Ce12 . 59.776(10) yes
Ce4 2_666 Ce5 . Ce12 . 122.448(13) yes
O7 2_666 Ce5 . Ce12 . 90.33(12) yes
Ce2 2_666 Ce5 . O128 . 36.80(12) yes
Ce3 . Ce5 . O128 . 92.42(12) yes
Ce1 . Ce5 . O128 . 35.37(12) yes
Ce4 2_666 Ce5 . O128 . 92.68(11) yes
O7 2_666 Ce5 . O128 . 71.03(17) yes
Ce2 2_666 Ce5 . O129 . 73.96(12) yes
Ce3 . Ce5 . O129 . 163.21(11) yes
Ce1 . Ce5 . O129 . 102.12(11) yes
Ce4 2_666 Ce5 . O129 . 118.78(12) yes
O7 2_666 Ce5 . O129 . 83.23(17) yes
Ce2 2_666 Ce5 . O147 . 161.88(11) yes
Ce3 . Ce5 . O147 . 72.85(10) yes
Ce1 . Ce5 . O147 . 100.59(11) yes
Ce4 2_666 Ce5 . O147 . 119.32(11) yes
O7 2_666 Ce5 . O147 . 154.72(16) yes
Ce2 2_666 Ce5 . C148 . 166.42(12) yes
Ce3 . Ce5 . C148 . 98.22(13) yes
Ce1 . Ce5 . C148 . 119.83(11) yes
Ce4 2_666 Ce5 . C148 . 129.90(11) yes
O7 2_666 Ce5 . C148 . 149.42(16) yes
Ce2 2_666 Ce5 . O149 . 141.37(13) yes
Ce3 . Ce5 . O149 . 123.09(13) yes
Ce1 . Ce5 . O149 . 124.19(12) yes
Ce4 2_666 Ce5 . O149 . 142.34(12) yes
O7 2_666 Ce5 . O149 . 137.59(17) yes
Ce2 2_666 Ce5 . O162 . 111.62(13) yes
Ce3 . Ce5 . O162 . 109.75(12) yes
Ce1 . Ce5 . O162 . 166.72(12) yes
Ce4 2_666 Ce5 . O162 . 74.74(12) yes
O7 2_666 Ce5 . O162 . 79.80(17) yes
O6 . Ce5 . O9 . 70.87(17) yes
O6 . Ce5 . O10 . 133.68(16) yes
O9 . Ce5 . O10 . 64.35(15) yes
O6 . Ce5 . Ce12 . 146.50(12) yes
O9 . Ce5 . Ce12 . 88.79(12) yes
O10 . Ce5 . Ce12 . 45.07(10) yes
O6 . Ce5 . O128 . 111.64(17) yes
O9 . Ce5 . O128 . 71.00(17) yes
O10 . Ce5 . O128 . 64.44(15) yes
Ce12 . Ce5 . O128 . 34.97(11) yes
O6 . Ce5 . O129 . 154.41(17) yes
O9 . Ce5 . O129 . 130.52(16) yes
O10 . Ce5 . O129 . 71.31(15) yes
Ce12 . Ce5 . O129 . 42.86(11) yes
O128 . Ce5 . O129 . 70.90(16) yes
O6 . Ce5 . O147 . 83.03(16) yes
O9 . Ce5 . O147 . 68.94(16) yes
O10 . Ce5 . O147 . 70.72(15) yes
Ce12 . Ce5 . O147 . 114.90(11) yes
O128 . Ce5 . O147 . 129.20(16) yes
O6 . Ce5 . C148 . 100.37(17) yes
O9 . Ce5 . C148 . 93.25(17) yes
O10 . Ce5 . C148 . 71.72(14) yes
Ce12 . Ce5 . C148 . 107.30(11) yes
O128 . Ce5 . C148 . 136.05(15) yes
O6 . Ce5 . O149 . 123.24(17) yes
O9 . Ce5 . O149 . 109.99(17) yes
O10 . Ce5 . O149 . 65.49(15) yes
Ce12 . Ce5 . O149 . 88.25(12) yes
O128 . Ce5 . O149 . 122.30(17) yes
O6 . Ce5 . O162 . 78.42(17) yes
O9 . Ce5 . O162 . 141.48(17) yes
O10 . Ce5 . O162 . 133.63(15) yes
Ce12 . Ce5 . O162 . 128.73(12) yes
O128 . Ce5 . O162 . 144.30(18) yes
O129 . Ce5 . O147 . 115.88(16) yes
O129 . Ce5 . C148 . 92.84(17) yes
O147 . Ce5 . C148 . 26.24(16) yes
O129 . Ce5 . O149 . 67.47(17) yes
O147 . Ce5 . O149 . 50.26(16) yes
C148 . Ce5 . O149 . 25.39(17) yes
O129 . Ce5 . O162 . 85.90(17) yes
O147 . Ce5 . O162 . 85.03(17) yes
C148 . Ce5 . O162 . 69.66(16) yes
O149 . Ce5 . O162 . 68.58(17) yes
Ce3 . O6 . Ce4 2_666 113.38(19) yes
Ce3 . O6 . Ce5 . 112.9(2) yes
Ce4 2_666 O6 . Ce5 . 105.18(19) yes
Ce2 . O7 . Ce4 . 111.95(19) yes
Ce2 . O7 . Ce5 2_666 113.5(2) yes
Ce4 . O7 . Ce5 2_666 106.3(2) yes
Ce3 . Ce8 . Ce1 . 61.144(10) yes
Ce3 . Ce8 . O9 . 36.17(12) yes
Ce1 . Ce8 . O9 . 35.79(12) yes
Ce3 . Ce8 . O10 . 103.38(11) yes
Ce1 . Ce8 . O10 . 60.67(10) yes
O9 . Ce8 . O10 . 67.72(16) yes
Ce3 . Ce8 . Ce11 . 122.252(13) yes
Ce1 . Ce8 . Ce11 . 61.140(10) yes
O9 . Ce8 . Ce11 . 91.98(12) yes
O10 . Ce8 . Ce11 . 46.95(11) yes
Ce3 . Ce8 . Ce20 . 60.528(10) yes
Ce1 . Ce8 . Ce20 . 89.980(11) yes
O9 . Ce8 . Ce20 . 90.90(12) yes
O10 . Ce8 . Ce20 . 150.45(10) yes
Ce11 . Ce8 . Ce20 . 117.763(13) yes
Ce3 . Ce8 . Ce21 . 89.295(11) yes
Ce1 . Ce8 . Ce21 . 58.497(10) yes
O9 . Ce8 . Ce21 . 88.97(12) yes
O10 . Ce8 . Ce21 . 98.86(11) yes
Ce11 . Ce8 . Ce21 . 58.879(10) yes
Ce3 . Ce8 . O22 . 96.92(11) yes
Ce1 . Ce8 . O22 . 93.06(12) yes
O9 . Ce8 . O22 . 115.71(16) yes
O10 . Ce8 . O22 . 130.73(16) yes
Ce11 . Ce8 . O22 . 84.29(12) yes
Ce3 . Ce8 . O25 . 89.75(11) yes
Ce1 . Ce8 . O25 . 35.74(12) yes
O9 . Ce8 . O25 . 71.45(17) yes
O10 . Ce8 . O25 . 68.23(16) yes
Ce11 . Ce8 . O25 . 37.75(11) yes
Ce3 . Ce8 . O54 . 33.50(13) yes
Ce1 . Ce8 . O54 . 86.04(12) yes
O9 . Ce8 . O54 . 69.30(17) yes
O10 . Ce8 . O54 . 136.86(17) yes
Ce11 . Ce8 . O54 . 138.97(12) yes
Ce3 . Ce8 . O57 . 104.56(12) yes
Ce1 . Ce8 . O57 . 161.19(12) yes
O9 . Ce8 . O57 . 137.06(17) yes
O10 . Ce8 . O57 . 137.85(16) yes
Ce11 . Ce8 . O57 . 130.95(12) yes
Ce3 . Ce8 . O138 . 162.98(12) yes
Ce1 . Ce8 . O138 . 102.58(12) yes
O9 . Ce8 . O138 . 131.99(17) yes
O10 . Ce8 . O138 . 69.52(16) yes
Ce11 . Ce8 . O138 . 41.56(12) yes
Ce3 . Ce8 . C139 . 166.82(15) yes
Ce1 . Ce8 . C139 . 120.27(14) yes
O9 . Ce8 . C139 . 136.73(19) yes
O10 . Ce8 . C139 . 69.32(18) yes
Ce11 . Ce8 . C139 . 61.33(14) yes
Ce3 . Ce8 . O140 . 142.66(13) yes
Ce1 . Ce8 . O140 . 128.72(13) yes
O9 . Ce8 . O140 . 126.18(18) yes
O10 . Ce8 . O140 . 68.51(16) yes
Ce11 . Ce8 . O140 . 79.97(12) yes
Ce3 . Ce8 . O147 . 73.43(11) yes
Ce1 . Ce8 . O147 . 102.97(11) yes
O9 . Ce8 . O147 . 70.94(16) yes
O10 . Ce8 . O147 . 75.76(16) yes
Ce11 . Ce8 . O147 . 121.89(11) yes
Ce20 . Ce8 . Ce21 . 59.038(10) yes
Ce20 . Ce8 . O22 . 40.48(11) yes
Ce21 . Ce8 . O22 . 36.56(12) yes
Ce20 . Ce8 . O25 . 86.12(12) yes
Ce21 . Ce8 . O25 . 31.43(12) yes
O22 . Ce8 . O25 . 67.47(17) yes
Ce20 . Ce8 . O54 . 32.43(13) yes
Ce21 . Ce8 . O54 . 83.77(12) yes
O22 . Ce8 . O54 . 72.89(17) yes
O25 . Ce8 . O54 . 101.29(16) yes
Ce20 . Ce8 . O57 . 71.67(12) yes
Ce21 . Ce8 . O57 . 112.35(13) yes
O22 . Ce8 . O57 . 75.82(18) yes
O25 . Ce8 . O57 . 141.97(18) yes
O54 . Ce8 . O57 . 76.26(17) yes
Ce20 . Ce8 . O138 . 118.08(12) yes
Ce21 . Ce8 . O138 . 76.96(11) yes
O22 . Ce8 . O138 . 78.07(16) yes
O25 . Ce8 . O138 . 73.28(16) yes
O54 . Ce8 . O138 . 150.12(17) yes
Ce20 . Ce8 . C139 . 130.87(15) yes
Ce21 . Ce8 . C139 . 102.49(15) yes
O22 . Ce8 . C139 . 96.07(19) yes
O25 . Ce8 . C139 . 97.24(18) yes
O54 . Ce8 . C139 . 152.48(19) yes
Ce20 . Ce8 . O140 . 139.75(13) yes
Ce21 . Ce8 . O140 . 127.49(13) yes
O22 . Ce8 . O140 . 116.22(17) yes
O25 . Ce8 . O140 . 117.69(17) yes
O54 . Ce8 . O140 . 140.69(17) yes
Ce20 . Ce8 . O147 . 117.60(11) yes
Ce21 . Ce8 . O147 . 159.81(11) yes
O22 . Ce8 . O147 . 153.51(16) yes
O25 . Ce8 . O147 . 135.30(17) yes
O54 . Ce8 . O147 . 87.16(16) yes
O57 . Ce8 . O138 . 90.10(17) yes
O57 . Ce8 . C139 . 76.59(18) yes
O138 . Ce8 . C139 . 25.86(18) yes
O57 . Ce8 . O140 . 70.09(18) yes
O138 . Ce8 . O140 . 50.62(17) yes
C139 . Ce8 . O140 . 25.02(19) yes
O57 . Ce8 . O147 . 82.73(18) yes
O138 . Ce8 . O147 . 117.78(16) yes
C139 . Ce8 . O147 . 93.86(18) yes
O140 . Ce8 . O147 . 69.24(17) yes
Ce3 . O9 . Ce1 . 109.75(18) yes
Ce3 . O9 . Ce8 . 109.22(19) yes
Ce1 . O9 . Ce8 . 109.04(19) yes
Ce3 . O9 . Ce5 . 108.58(18) yes
Ce1 . O9 . Ce5 . 109.4(2) yes
Ce8 . O9 . Ce5 . 110.79(19) yes
Ce8 . O10 . Ce5 . 85.07(14) yes
Ce8 . O10 . Ce11 . 87.82(15) yes
Ce5 . O10 . Ce11 . 149.75(19) yes
Ce8 . O10 . Ce12 . 150.8(2) yes
Ce5 . O10 . Ce12 . 84.86(15) yes
Ce11 . O10 . Ce12 . 87.25(15) yes
Ce1 . Ce11 . O10 . 59.11(10) yes
Ce1 . Ce11 . Ce8 . 59.201(10) yes
O10 . Ce11 . Ce8 . 45.23(11) yes
Ce1 . Ce11 . Ce13 . 58.670(10) yes
O10 . Ce11 . Ce13 . 100.07(11) yes
Ce8 . Ce11 . Ce13 . 117.870(13) yes
Ce1 . Ce11 . O14 . 35.15(11) yes
O10 . Ce11 . O14 . 65.74(16) yes
Ce8 . Ce11 . O14 . 89.01(11) yes
Ce13 . Ce11 . O14 . 34.63(11) yes
Ce1 . Ce11 . Ce21 . 58.852(10) yes
O10 . Ce11 . Ce21 . 100.11(10) yes
Ce8 . Ce11 . Ce21 . 61.881(10) yes
Ce13 . Ce11 . Ce21 . 86.153(12) yes
O14 . Ce11 . Ce21 . 88.04(11) yes
Ce1 . Ce11 . O24 . 58.38(10) yes
O10 . Ce11 . O24 . 117.47(14) yes
Ce8 . Ce11 . O24 . 99.09(10) yes
Ce13 . Ce11 . O24 . 45.60(10) yes
O14 . Ce11 . O24 . 64.66(15) yes
Ce1 . Ce11 . O25 . 35.34(11) yes
O10 . Ce11 . O25 . 65.13(15) yes
Ce8 . Ce11 . O25 . 35.24(11) yes
Ce13 . Ce11 . O25 . 88.35(11) yes
O14 . Ce11 . O25 . 70.49(16) yes
Ce1 . Ce11 . O26 . 98.56(10) yes
O10 . Ce11 . O26 . 123.71(15) yes
Ce8 . Ce11 . O26 . 78.53(11) yes
Ce13 . Ce11 . O26 . 110.30(11) yes
O14 . Ce11 . O26 . 125.88(15) yes
Ce1 . Ce11 . C27 . 122.41(16) yes
O10 . Ce11 . C27 . 141.02(19) yes
Ce8 . Ce11 . C27 . 99.02(16) yes
Ce13 . Ce11 . C27 . 113.08(16) yes
O14 . Ce11 . C27 . 141.48(19) yes
Ce1 . Ce11 . O28 . 141.95(17) yes
O10 . Ce11 . O28 . 151.6(2) yes
Ce8 . Ce11 . O28 . 120.18(15) yes
Ce13 . Ce11 . O28 . 107.94(18) yes
O14 . Ce11 . O28 . 142.5(2) yes
Ce1 . Ce11 . O100 . 101.68(11) yes
O10 . Ce11 . O100 . 126.56(16) yes
Ce8 . Ce11 . O100 . 160.86(11) yes
Ce13 . Ce11 . O100 . 43.02(11) yes
O14 . Ce11 . O100 . 72.68(16) yes
Ce1 . Ce11 . O119 . 98.55(11) yes
O10 . Ce11 . O119 . 68.18(15) yes
Ce8 . Ce11 . O119 . 112.67(11) yes
Ce13 . Ce11 . O119 . 76.91(11) yes
O14 . Ce11 . O119 . 69.11(15) yes
Ce1 . Ce11 . C120 . 121.22(16) yes
O10 . Ce11 . C120 . 75.66(18) yes
Ce8 . Ce11 . C120 . 112.17(16) yes
Ce13 . Ce11 . C120 . 99.30(17) yes
O14 . Ce11 . C120 . 94.5(2) yes
Ce1 . Ce11 . O121 . 139.55(16) yes
O10 . Ce11 . O121 . 83.18(19) yes
Ce8 . Ce11 . O121 . 105.35(16) yes
Ce13 . Ce11 . O121 . 121.50(15) yes
O14 . Ce11 . O121 . 118.51(18) yes
Ce1 . Ce11 . O138 . 101.88(11) yes
O10 . Ce11 . O138 . 69.11(16) yes
Ce8 . Ce11 . O138 . 42.81(11) yes
Ce13 . Ce11 . O138 . 160.26(11) yes
O14 . Ce11 . O138 . 130.11(16) yes
Ce21 . Ce11 . O24 . 43.94(10) yes
Ce21 . Ce11 . O25 . 35.24(11) yes
O24 . Ce11 . O25 . 64.19(15) yes
Ce21 . Ce11 . O26 . 39.78(10) yes
O24 . Ce11 . O26 . 65.79(15) yes
O25 . Ce11 . O26 . 69.52(15) yes
Ce21 . Ce11 . C27 . 63.90(16) yes
O24 . Ce11 . C27 . 76.86(19) yes
O25 . Ce11 . C27 . 95.0(2) yes
O26 . Ce11 . C27 . 25.44(19) yes
Ce21 . Ce11 . O28 . 86.44(15) yes
O24 . Ce11 . O28 . 86.4(2) yes
O25 . Ce11 . O28 . 119.17(19) yes
O26 . Ce11 . O28 . 49.72(18) yes
C27 . Ce11 . O28 . 24.4(2) yes
Ce21 . Ce11 . O100 . 110.71(11) yes
O24 . Ce11 . O100 . 68.37(15) yes
O25 . Ce11 . O100 . 128.73(16) yes
O26 . Ce11 . O100 . 107.39(16) yes
C27 . Ce11 . O100 . 92.3(2) yes
Ce21 . Ce11 . O119 . 156.91(11) yes
O24 . Ce11 . O119 . 122.42(15) yes
O25 . Ce11 . O119 . 127.30(16) yes
O26 . Ce11 . O119 . 162.72(15) yes
C27 . Ce11 . O119 . 137.47(19) yes
Ce21 . Ce11 . C120 . 173.55(16) yes
O24 . Ce11 . C120 . 142.3(2) yes
O25 . Ce11 . C120 . 140.78(19) yes
O26 . Ce11 . C120 . 139.06(19) yes
C27 . Ce11 . C120 . 116.4(2) yes
Ce21 . Ce11 . O121 . 151.40(14) yes
O24 . Ce11 . O121 . 155.31(19) yes
O25 . Ce11 . O121 . 140.4(2) yes
O26 . Ce11 . O121 . 115.58(18) yes
C27 . Ce11 . O121 . 95.7(2) yes
Ce21 . Ce11 . O138 . 79.88(11) yes
O24 . Ce11 . O138 . 123.58(15) yes
O25 . Ce11 . O138 . 72.20(15) yes
O26 . Ce11 . O138 . 66.58(17) yes
C27 . Ce11 . O138 . 73.0(2) yes
O28 . Ce11 . O100 . 74.8(2) yes
O28 . Ce11 . O119 . 113.51(18) yes
O100 . Ce11 . O119 . 66.55(16) yes
O28 . Ce11 . C120 . 95.1(2) yes
O100 . Ce11 . C120 . 75.7(2) yes
O119 . Ce11 . C120 . 25.5(2) yes
O28 . Ce11 . O121 . 78.5(2) yes
O100 . Ce11 . O121 . 88.74(19) yes
O119 . Ce11 . O121 . 49.98(18) yes
C120 . Ce11 . O121 . 24.5(2) yes
O28 . Ce11 . O138 . 85.2(2) yes
O100 . Ce11 . O138 . 156.32(16) yes
O119 . Ce11 . O138 . 111.99(16) yes
C120 . Ce11 . O138 . 94.0(2) yes
O121 . Ce11 . O138 . 74.80(19) yes
Ce2 2_666 Ce12 . O10 . 104.35(11) yes
Ce2 2_666 Ce12 . Ce5 . 60.378(10) yes
O10 . Ce12 . Ce5 . 50.07(11) yes
Ce2 2_666 Ce12 . Ce1 . 61.686(10) yes
O10 . Ce12 . Ce1 . 61.24(10) yes
Ce5 . Ce12 . Ce1 . 60.447(10) yes
Ce2 2_666 Ce12 . Ce15 2_666 60.114(10) yes
O10 . Ce12 . Ce15 2_666 151.86(10) yes
Ce5 . Ce12 . Ce15 2_666 120.489(13) yes
Ce1 . Ce12 . Ce15 2_666 90.780(11) yes
Ce2 2_666 Ce12 . O18 2_666 33.11(12) yes
O10 . Ce12 . O18 2_666 137.46(16) yes
Ce5 . Ce12 . O18 2_666 90.97(12) yes
Ce1 . Ce12 . O18 2_666 86.59(12) yes
Ce15 2_666 Ce12 . O18 2_666 32.35(12) yes
Ce2 2_666 Ce12 . Ce13 . 88.916(11) yes
O10 . Ce12 . Ce13 . 99.94(11) yes
Ce5 . Ce12 . Ce13 . 119.131(12) yes
Ce1 . Ce12 . Ce13 . 58.722(9) yes
Ce15 2_666 Ce12 . Ce13 . 59.182(10) yes
Ce2 2_666 Ce12 . O14 . 89.90(12) yes
O10 . Ce12 . O14 . 69.54(16) yes
Ce5 . Ce12 . O14 . 93.11(12) yes
Ce1 . Ce12 . O14 . 36.02(12) yes
Ce15 2_666 Ce12 . O14 . 86.23(12) yes
Ce2 2_666 Ce12 . O16 . 96.10(11) yes
O10 . Ce12 . O16 . 132.02(16) yes
Ce5 . Ce12 . O16 . 150.48(11) yes
Ce1 . Ce12 . O16 . 93.62(11) yes
Ce15 2_666 Ce12 . O16 . 40.04(11) yes
Ce2 2_666 Ce12 . O93 . 102.64(13) yes
O10 . Ce12 . O93 . 136.77(16) yes
Ce5 . Ce12 . O93 . 123.10(13) yes
Ce1 . Ce12 . O93 . 161.11(13) yes
Ce15 2_666 Ce12 . O93 . 71.37(12) yes
Ce2 2_666 Ce12 . O119 . 165.92(12) yes
O10 . Ce12 . O119 . 73.79(17) yes
Ce5 . Ce12 . O119 . 122.38(13) yes
Ce1 . Ce12 . O119 . 106.55(12) yes
Ce15 2_666 Ce12 . O119 . 115.15(13) yes
Ce2 2_666 Ce12 . O128 . 36.56(12) yes
O10 . Ce12 . O128 . 68.34(16) yes
Ce5 . Ce12 . O128 . 34.71(12) yes
Ce1 . Ce12 . O128 . 36.06(12) yes
Ce15 2_666 Ce12 . O128 . 91.16(12) yes
Ce2 2_666 Ce12 . O129 . 73.24(11) yes
O10 . Ce12 . O129 . 74.49(16) yes
Ce5 . Ce12 . O129 . 41.94(11) yes
Ce1 . Ce12 . O129 . 101.88(11) yes
Ce15 2_666 Ce12 . O129 . 117.55(12) yes
Ce2 2_666 Ce12 . C130 . 99.21(16) yes
O10 . Ce12 . C130 . 73.03(19) yes
Ce5 . Ce12 . C130 . 61.73(15) yes
Ce1 . Ce12 . C130 . 120.80(15) yes
Ce15 2_666 Ce12 . C130 . 129.69(16) yes
Ce2 2_666 Ce12 . O131 . 124.25(12) yes
O10 . Ce12 . O131 . 67.74(16) yes
Ce5 . Ce12 . O131 . 78.20(12) yes
Ce1 . Ce12 . O131 . 127.51(13) yes
Ce15 2_666 Ce12 . O131 . 140.16(13) yes
O18 2_666 Ce12 . Ce13 . 83.67(12) yes
O18 2_666 Ce12 . O14 . 101.31(17) yes
Ce13 . Ce12 . O14 . 31.18(12) yes
O18 2_666 Ce12 . O16 . 72.36(17) yes
Ce13 . Ce12 . O16 . 36.90(11) yes
O14 . Ce12 . O16 . 67.57(17) yes
O18 2_666 Ce12 . O93 . 75.03(18) yes
Ce13 . Ce12 . O93 . 113.74(12) yes
O14 . Ce12 . O93 . 143.35(17) yes
O16 . Ce12 . O93 . 76.85(17) yes
O18 2_666 Ce12 . O119 . 146.55(18) yes
Ce13 . Ce12 . O119 . 77.81(12) yes
O14 . Ce12 . O119 . 76.32(17) yes
O16 . Ce12 . O119 . 76.15(17) yes
O93 . Ce12 . O119 . 87.21(18) yes
O18 2_666 Ce12 . O128 . 69.37(17) yes
Ce13 . Ce12 . O128 . 89.11(12) yes
O14 . Ce12 . O128 . 71.94(17) yes
O16 . Ce12 . O128 . 115.81(16) yes
O93 . Ce12 . O128 . 134.95(18) yes
O18 2_666 Ce12 . O129 . 87.09(17) yes
Ce13 . Ce12 . O129 . 158.89(11) yes
O14 . Ce12 . O129 . 134.76(16) yes
O16 . Ce12 . O129 . 153.49(17) yes
O93 . Ce12 . O129 . 81.85(17) yes
O18 2_666 Ce12 . C130 . 106.0(2) yes
Ce13 . Ce12 . C130 . 170.31(16) yes
O14 . Ce12 . C130 . 142.6(2) yes
O16 . Ce12 . C130 . 145.56(18) yes
O93 . Ce12 . C130 . 69.79(19) yes
O18 2_666 Ce12 . O131 . 127.31(18) yes
Ce13 . Ce12 . O131 . 146.12(12) yes
O14 . Ce12 . O131 . 130.34(18) yes
O16 . Ce12 . O131 . 131.30(16) yes
O93 . Ce12 . O131 . 69.20(18) yes
O119 . Ce12 . O128 . 136.95(18) yes
O119 . Ce12 . O129 . 118.66(17) yes
O128 . Ce12 . O129 . 69.85(16) yes
O119 . Ce12 . C130 . 93.6(2) yes
O128 . Ce12 . C130 . 94.27(19) yes
O129 . Ce12 . C130 . 26.67(19) yes
O119 . Ce12 . O131 . 68.50(17) yes
O128 . Ce12 . O131 . 112.89(17) yes
O129 . Ce12 . O131 . 51.16(16) yes
C130 . Ce12 . O131 . 25.11(19) yes
Ce12 . Ce13 . Ce3 2_666 89.832(11) yes
Ce12 . Ce13 . Ce11 . 58.563(10) yes
Ce3 2_666 Ce13 . Ce11 . 123.453(13) yes
Ce12 . Ce13 . Ce4 . 119.387(12) yes
Ce3 2_666 Ce13 . Ce4 . 60.459(10) yes
Ce11 . Ce13 . Ce4 . 93.612(12) yes
Ce12 . Ce13 . Ce15 2_666 58.378(10) yes
Ce3 2_666 Ce13 . Ce15 2_666 61.003(10) yes
Ce11 . Ce13 . Ce15 2_666 116.701(13) yes
Ce4 . Ce13 . Ce15 2_666 121.422(12) yes
Ce12 . Ce13 . Ce1 . 58.881(10) yes
Ce3 2_666 Ce13 . Ce1 . 62.083(10) yes
Ce11 . Ce13 . Ce1 . 61.442(10) yes
Ce4 . Ce13 . Ce1 . 60.523(10) yes
Ce15 2_666 Ce13 . Ce1 . 90.385(11) yes
Ce12 . Ce13 . O17 2_666 83.45(12) yes
Ce3 2_666 Ce13 . O17 2_666 34.04(11) yes
Ce11 . Ce13 . O17 2_666 139.01(12) yes
Ce4 . Ce13 . O17 2_666 92.29(11) yes
Ce15 2_666 Ce13 . O17 2_666 32.36(11) yes
Ce12 . Ce13 . O14 . 31.51(12) yes
Ce3 2_666 Ce13 . O14 . 90.63(12) yes
Ce11 . Ce13 . O14 . 37.65(12) yes
Ce4 . Ce13 . O14 . 92.88(12) yes
Ce15 2_666 Ce13 . O14 . 85.75(13) yes
Ce12 . Ce13 . O16 . 36.21(11) yes
Ce3 2_666 Ce13 . O16 . 96.79(11) yes
Ce11 . Ce13 . O16 . 83.60(11) yes
Ce4 . Ce13 . O16 . 150.51(11) yes
Ce15 2_666 Ce13 . O16 . 39.62(11) yes
Ce12 . Ce13 . O24 . 100.35(11) yes
Ce3 2_666 Ce13 . O24 . 103.21(11) yes
Ce11 . Ce13 . O24 . 49.13(11) yes
Ce4 . Ce13 . O24 . 48.55(11) yes
Ce15 2_666 Ce13 . O24 . 151.09(10) yes
Ce12 . Ce13 . O84 . 109.65(12) yes
Ce3 2_666 Ce13 . O84 . 107.44(13) yes
Ce11 . Ce13 . O84 . 126.21(13) yes
Ce4 . Ce13 . O84 . 128.57(12) yes
Ce15 2_666 Ce13 . O84 . 72.21(13) yes
Ce12 . Ce13 . O100 . 78.18(11) yes
Ce3 2_666 Ce13 . O100 . 164.57(11) yes
Ce11 . Ce13 . O100 . 41.57(11) yes
Ce4 . Ce13 . O100 . 117.27(12) yes
Ce15 2_666 Ce13 . O100 . 118.38(11) yes
Ce12 . Ce13 . C101 . 103.57(15) yes
Ce3 2_666 Ce13 . C101 . 165.81(15) yes
Ce11 . Ce13 . C101 . 62.30(15) yes
Ce4 . Ce13 . C101 . 107.87(15) yes
Ce15 2_666 Ce13 . C101 . 130.31(15) yes
Ce12 . Ce13 . O102 . 128.70(11) yes
Ce3 2_666 Ce13 . O102 . 140.90(11) yes
Ce11 . Ce13 . O102 . 80.47(12) yes
Ce4 . Ce13 . O102 . 90.32(11) yes
Ce15 2_666 Ce13 . O102 . 140.42(12) yes
Ce12 . Ce13 . O109 . 89.54(12) yes
Ce3 2_666 Ce13 . O109 . 36.55(12) yes
Ce11 . Ce13 . O109 . 93.03(12) yes
Ce4 . Ce13 . O109 . 34.87(12) yes
Ce15 2_666 Ce13 . O109 . 91.43(12) yes
Ce12 . Ce13 . O110 . 160.29(11) yes
Ce3 2_666 Ce13 . O110 . 72.91(11) yes
Ce11 . Ce13 . O110 . 123.42(12) yes
Ce4 . Ce13 . O110 . 43.64(11) yes
Ce15 2_666 Ce13 . O110 . 117.56(12) yes
Ce1 . Ce13 . O17 2_666 87.03(12) yes
Ce1 . Ce13 . O14 . 35.97(12) yes
O17 2_666 Ce13 . O14 . 101.57(17) yes
Ce1 . Ce13 . O16 . 93.12(11) yes
O17 2_666 Ce13 . O16 . 71.97(16) yes
O14 . Ce13 . O16 . 67.22(17) yes
Ce1 . Ce13 . O24 . 60.82(10) yes
O17 2_666 Ce13 . O24 . 137.25(16) yes
O14 . Ce13 . O24 . 69.52(16) yes
O16 . Ce13 . O24 . 132.14(16) yes
Ce1 . Ce13 . O84 . 162.59(13) yes
O17 2_666 Ce13 . O84 . 78.22(17) yes
O14 . Ce13 . O84 . 138.53(17) yes
O16 . Ce13 . O84 . 73.67(17) yes
O24 . Ce13 . O84 . 136.56(16) yes
Ce1 . Ce13 . O100 . 103.00(11) yes
O17 2_666 Ce13 . O100 . 150.09(16) yes
O14 . Ce13 . O100 . 74.06(16) yes
O16 . Ce13 . O100 . 79.32(16) yes
O24 . Ce13 . O100 . 69.98(16) yes
Ce1 . Ce13 . C101 . 121.09(15) yes
O17 2_666 Ce13 . C101 . 150.80(19) yes
O14 . Ce13 . C101 . 98.36(19) yes
O16 . Ce13 . C101 . 96.81(18) yes
O24 . Ce13 . C101 . 70.17(18) yes
Ce1 . Ce13 . O102 . 127.88(12) yes
O17 2_666 Ce13 . O102 . 140.03(17) yes
O14 . Ce13 . O102 . 118.12(17) yes
O16 . Ce13 . O102 . 117.90(16) yes
O24 . Ce13 . O102 . 67.49(16) yes
Ce1 . Ce13 . O109 . 36.25(12) yes
O17 2_666 Ce13 . O109 . 70.14(16) yes
O14 . Ce13 . O109 . 72.11(16) yes
O16 . Ce13 . O109 . 115.77(16) yes
O24 . Ce13 . O109 . 67.35(16) yes
Ce1 . Ce13 . O110 . 103.47(11) yes
O17 2_666 Ce13 . O110 . 87.11(16) yes
O14 . Ce13 . O110 . 136.29(16) yes
O16 . Ce13 . O110 . 152.63(16) yes
O24 . Ce13 . O110 . 75.23(16) yes
O84 . Ce13 . O100 . 85.95(17) yes
O84 . Ce13 . C101 . 72.7(2) yes
O100 . Ce13 . C101 . 25.89(18) yes
O84 . Ce13 . O102 . 69.27(18) yes
O100 . Ce13 . O102 . 50.58(16) yes
C101 . Ce13 . O102 . 25.23(18) yes
O84 . Ce13 . O109 . 140.75(17) yes
O100 . Ce13 . O109 . 132.39(16) yes
C101 . Ce13 . O109 . 137.13(19) yes
O102 . Ce13 . O109 . 124.66(16) yes
O84 . Ce13 . O110 . 85.14(17) yes
O100 . Ce13 . O110 . 116.90(16) yes
C101 . Ce13 . O110 . 93.08(18) yes
O102 . Ce13 . O110 . 68.00(15) yes
O109 . Ce13 . O110 . 70.96(16) yes
Ce11 . O14 . Ce1 . 107.90(19) yes
Ce11 . O14 . Ce12 . 105.49(18) yes
Ce1 . O14 . Ce12 . 108.77(19) yes
Ce11 . O14 . Ce13 . 107.72(19) yes
Ce1 . O14 . Ce13 . 109.25(19) yes
Ce12 . O14 . Ce13 . 117.3(2) yes
Ce3 . Ce15 . Ce2 . 59.792(9) yes
Ce3 . Ce15 . Ce13 2_666 59.932(10) yes
Ce2 . Ce15 . Ce13 2_666 91.384(12) yes
Ce3 . Ce15 . Ce12 2_666 91.548(12) yes
Ce2 . Ce15 . Ce12 2_666 61.248(10) yes
Ce13 2_666 Ce15 . Ce12 2_666 62.441(10) yes
Ce3 . Ce15 . O16 2_666 95.66(11) yes
Ce2 . Ce15 . O16 2_666 96.38(11) yes
Ce13 2_666 Ce15 . O16 2_666 39.51(11) yes
Ce12 2_666 Ce15 . O16 2_666 39.15(11) yes
Ce3 . Ce15 . O17 . 33.43(12) yes
Ce2 . Ce15 . O17 . 85.87(12) yes
Ce13 2_666 Ce15 . O17 . 31.86(12) yes
Ce12 2_666 Ce15 . O17 . 86.82(12) yes
O16 2_666 Ce15 . O17 . 71.36(16) yes
Ce3 . Ce15 . O18 . 85.91(12) yes
Ce2 . Ce15 . O18 . 33.81(12) yes
Ce13 2_666 Ce15 . O18 . 87.03(13) yes
Ce12 2_666 Ce15 . O18 . 32.80(12) yes
O16 2_666 Ce15 . O18 . 71.93(17) yes
Ce3 . Ce15 . O19 . 37.47(11) yes
Ce2 . Ce15 . O19 . 38.18(11) yes
Ce13 2_666 Ce15 . O19 . 94.41(12) yes
Ce12 2_666 Ce15 . O19 . 95.92(11) yes
O16 2_666 Ce15 . O19 . 121.28(16) yes
Ce3 . Ce15 . O66 . 119.80(14) yes
Ce2 . Ce15 . O66 . 79.08(16) yes
Ce13 2_666 Ce15 . O66 . 167.71(16) yes
Ce12 2_666 Ce15 . O66 . 105.78(16) yes
O16 2_666 Ce15 . O66 . 133.25(18) yes
Ce3 . Ce15 . O75 . 88.81(15) yes
Ce2 . Ce15 . O75 . 120.64(15) yes
Ce13 2_666 Ce15 . O75 . 116.06(17) yes
Ce12 2_666 Ce15 . O75 . 177.89(16) yes
O16 2_666 Ce15 . O75 . 138.74(19) yes
Ce3 . Ce15 . O82 . 108.95(11) yes
Ce2 . Ce15 . O82 . 163.20(12) yes
Ce13 2_666 Ce15 . O82 . 71.83(12) yes
Ce12 2_666 Ce15 . O82 . 109.43(12) yes
O16 2_666 Ce15 . O82 . 71.30(16) yes
Ce3 . Ce15 . O91 . 164.19(12) yes
Ce2 . Ce15 . O91 . 110.59(12) yes
Ce13 2_666 Ce15 . O91 . 110.48(12) yes
Ce12 2_666 Ce15 . O91 . 72.65(12) yes
O16 2_666 Ce15 . O91 . 72.09(16) yes
O17 . Ce15 . O18 . 99.54(17) yes
O17 . Ce15 . O19 . 70.90(16) yes
O18 . Ce15 . O19 . 71.98(16) yes
O17 . Ce15 . O66 . 152.12(18) yes
O18 . Ce15 . O66 . 80.7(2) yes
O19 . Ce15 . O66 . 82.93(18) yes
O17 . Ce15 . O75 . 92.3(2) yes
O18 . Ce15 . O75 . 149.3(2) yes
O19 . Ce15 . O75 . 85.63(18) yes
O66 . Ce15 . O75 . 75.8(2) yes
O17 . Ce15 . O82 . 79.44(16) yes
O18 . Ce15 . O82 . 141.40(17) yes
O19 . Ce15 . O82 . 139.61(16) yes
O66 . Ce15 . O82 . 117.6(2) yes
O75 . Ce15 . O82 . 68.50(19) yes
O17 . Ce15 . O91 . 141.25(17) yes
O18 . Ce15 . O91 . 80.84(17) yes
O19 . Ce15 . O91 . 141.99(16) yes
O66 . Ce15 . O91 . 66.57(18) yes
O75 . Ce15 . O91 . 106.98(19) yes
O82 . Ce15 . O91 . 77.15(16) yes
Ce15 2_666 O16 . Ce13 . 100.87(16) yes
Ce15 2_666 O16 . Ce12 . 100.81(17) yes
Ce13 . O16 . Ce12 . 106.88(19) yes
Ce15 2_666 O16 . H161 . 111.5 no
Ce13 . O16 . H161 . 115.8 no
Ce12 . O16 . H161 . 118.5 no
Ce3 . O17 . Ce15 . 114.5(2) yes
Ce3 . O17 . Ce13 2_666 113.9(2) yes
Ce15 . O17 . Ce13 2_666 115.78(19) yes
Ce2 . O18 . Ce12 2_666 115.1(2) yes
Ce2 . O18 . Ce15 . 114.21(19) yes
Ce12 2_666 O18 . Ce15 . 114.9(2) yes
Ce3 . O19 . Ce2 . 103.09(18) yes
Ce3 . O19 . Ce15 . 106.31(18) yes
Ce2 . O19 . Ce15 . 104.74(17) yes
Ce3 . O19 . Ce20 . 105.41(17) yes
Ce2 . O19 . Ce20 . 105.99(18) yes
Ce15 . O19 . Ce20 . 128.7(2) yes
Ce2 . Ce20 . Ce8 . 91.791(12) yes
Ce2 . Ce20 . O19 . 37.56(11) yes
Ce8 . Ce20 . O19 . 95.57(11) yes
Ce2 . Ce20 . O22 . 96.16(12) yes
Ce8 . Ce20 . O22 . 39.23(11) yes
O19 . Ce20 . O22 . 121.35(16) yes
Ce2 . Ce20 . O23 . 33.50(12) yes
Ce8 . Ce20 . O23 . 86.74(12) yes
O19 . Ce20 . O23 . 71.04(17) yes
O22 . Ce20 . O23 . 71.54(17) yes
Ce2 . Ce20 . O47 . 109.70(13) yes
Ce8 . Ce20 . O47 . 110.12(12) yes
O19 . Ce20 . O47 . 140.31(17) yes
O22 . Ce20 . O47 . 71.99(16) yes
O23 . Ce20 . O47 . 80.49(18) yes
Ce2 . Ce20 . O54 . 86.10(12) yes
Ce8 . Ce20 . O54 . 32.31(12) yes
O19 . Ce20 . O54 . 71.88(16) yes
O22 . Ce20 . O54 . 71.51(17) yes
O23 . Ce20 . O54 . 99.21(18) yes
Ce2 . Ce20 . O55 . 164.25(13) yes
Ce8 . Ce20 . O55 . 72.50(12) yes
O19 . Ce20 . O55 . 142.60(17) yes
O22 . Ce20 . O55 . 71.07(17) yes
O23 . Ce20 . O55 . 140.31(17) yes
Ce2 . Ce20 . O64 . 86.34(14) yes
Ce8 . Ce20 . O64 . 176.72(15) yes
O19 . Ce20 . O64 . 84.60(17) yes
O22 . Ce20 . O64 . 138.29(18) yes
O23 . Ce20 . O64 . 90.21(19) yes
Ce2 . Ce20 . O73 . 118.49(13) yes
Ce8 . Ce20 . O73 . 107.47(14) yes
O19 . Ce20 . O73 . 81.88(17) yes
O22 . Ce20 . O73 . 134.95(18) yes
O23 . Ce20 . O73 . 150.64(18) yes
O47 . Ce20 . O54 . 141.48(17) yes
O47 . Ce20 . O55 . 75.79(18) yes
O54 . Ce20 . O55 . 81.15(17) yes
O47 . Ce20 . O64 . 68.10(18) yes
O54 . Ce20 . O64 . 149.94(18) yes
O55 . Ce20 . O64 . 109.30(19) yes
O47 . Ce20 . O73 . 116.29(19) yes
O54 . Ce20 . O73 . 82.42(19) yes
O55 . Ce20 . O73 . 69.05(18) yes
O64 . Ce20 . O73 . 75.8(2) yes
Ce8 . Ce21 . Ce2 . 89.278(11) yes
Ce8 . Ce21 . Ce11 . 59.240(10) yes
Ce2 . Ce21 . Ce11 . 122.696(13) yes
Ce8 . Ce21 . Ce4 . 119.609(13) yes
Ce2 . Ce21 . Ce4 . 59.649(10) yes
Ce11 . Ce21 . Ce4 . 93.800(12) yes
Ce8 . Ce21 . O22 . 36.03(12) yes
Ce2 . Ce21 . O22 . 96.58(11) yes
Ce11 . Ce21 . O22 . 84.22(11) yes
Ce4 . Ce21 . O22 . 150.17(11) yes
Ce8 . Ce21 . O23 . 82.53(12) yes
Ce2 . Ce21 . O23 . 33.61(13) yes
Ce11 . Ce21 . O23 . 138.27(12) yes
Ce4 . Ce21 . O23 . 91.09(12) yes
O22 . Ce21 . O23 . 71.82(16) yes
Ce8 . Ce21 . O24 . 101.44(11) yes
Ce2 . Ce21 . O24 . 102.54(11) yes
Ce11 . Ce21 . O24 . 49.46(11) yes
Ce4 . Ce21 . O24 . 48.67(11) yes
O22 . Ce21 . O24 . 133.10(16) yes
Ce8 . Ce21 . O25 . 31.60(12) yes
Ce2 . Ce21 . O25 . 89.95(11) yes
Ce11 . Ce21 . O25 . 37.97(11) yes
Ce4 . Ce21 . O25 . 93.30(12) yes
O22 . Ce21 . O25 . 67.11(17) yes
Ce8 . Ce21 . O26 . 79.91(12) yes
Ce2 . Ce21 . O26 . 167.65(13) yes
Ce11 . Ce21 . O26 . 46.13(13) yes
Ce4 . Ce21 . O26 . 121.00(13) yes
O22 . Ce21 . O26 . 78.19(17) yes
Ce8 . Ce21 . O35 . 89.55(11) yes
Ce2 . Ce21 . O35 . 35.88(11) yes
Ce11 . Ce21 . O35 . 92.88(11) yes
Ce4 . Ce21 . O35 . 34.66(11) yes
O22 . Ce21 . O35 . 115.57(16) yes
Ce8 . Ce21 . O36 . 157.65(11) yes
Ce2 . Ce21 . O36 . 70.86(11) yes
Ce11 . Ce21 . O36 . 123.02(11) yes
Ce4 . Ce21 . O36 . 41.31(11) yes
O22 . Ce21 . O36 . 152.73(16) yes
Ce8 . Ce21 . C37 . 173.24(15) yes
Ce2 . Ce21 . C37 . 96.19(15) yes
Ce11 . Ce21 . C37 . 114.20(15) yes
Ce4 . Ce21 . C37 . 60.63(14) yes
O22 . Ce21 . C37 . 146.19(18) yes
Ce8 . Ce21 . O38 . 149.08(12) yes
Ce2 . Ce21 . O38 . 121.28(12) yes
Ce11 . Ce21 . O38 . 96.40(12) yes
Ce4 . Ce21 . O38 . 77.52(12) yes
O22 . Ce21 . O38 . 132.31(16) yes
Ce8 . Ce21 . O45 . 111.06(13) yes
Ce2 . Ce21 . O45 . 104.87(13) yes
Ce11 . Ce21 . O45 . 129.92(13) yes
Ce4 . Ce21 . O45 . 125.67(13) yes
O22 . Ce21 . O45 . 75.08(18) yes
O23 . Ce21 . O24 . 136.15(17) yes
O23 . Ce21 . O25 . 100.41(17) yes
O24 . Ce21 . O25 . 70.48(16) yes
O23 . Ce21 . O26 . 147.86(18) yes
O24 . Ce21 . O26 . 74.11(18) yes
O25 . Ce21 . O26 . 77.72(17) yes
O23 . Ce21 . O35 . 69.04(17) yes
O24 . Ce21 . O35 . 67.35(16) yes
O25 . Ce21 . O35 . 72.19(16) yes
O26 . Ce21 . O35 . 137.02(17) yes
O23 . Ce21 . O36 . 86.02(16) yes
O24 . Ce21 . O36 . 74.07(16) yes
O25 . Ce21 . O36 . 134.53(16) yes
O26 . Ce21 . O36 . 118.47(17) yes
O35 . Ce21 . O36 . 68.40(16) yes
O23 . Ce21 . C37 . 104.22(19) yes
O24 . Ce21 . C37 . 73.53(18) yes
O25 . Ce21 . C37 . 143.97(19) yes
O26 . Ce21 . C37 . 94.21(19) yes
O35 . Ce21 . C37 . 92.56(18) yes
O23 . Ce21 . O38 . 125.05(17) yes
O24 . Ce21 . O38 . 69.49(17) yes
O25 . Ce21 . O38 . 133.37(17) yes
O26 . Ce21 . O38 . 69.19(17) yes
O35 . Ce21 . O38 . 112.03(16) yes
O23 . Ce21 . O45 . 76.73(18) yes
O24 . Ce21 . O45 . 137.22(17) yes
O25 . Ce21 . O45 . 140.74(18) yes
O26 . Ce21 . O45 . 84.76(18) yes
O35 . Ce21 . O45 . 137.20(17) yes
O36 . Ce21 . C37 . 26.11(18) yes
O36 . Ce21 . O38 . 50.68(16) yes
C37 . Ce21 . O38 . 25.11(18) yes
O36 . Ce21 . O45 . 84.68(17) yes
C37 . Ce21 . O45 . 71.4(2) yes
O38 . Ce21 . O45 . 68.32(18) yes
Ce20 . O22 . Ce21 . 100.42(17) yes
Ce20 . O22 . Ce8 . 100.29(17) yes
Ce21 . O22 . Ce8 . 107.41(19) yes
Ce20 . O22 . H221 . 111.6 no
Ce21 . O22 . H221 . 118.2 no
Ce8 . O22 . H221 . 116.4 no
Ce2 . O23 . Ce21 . 114.3(2) yes
Ce2 . O23 . Ce20 . 114.9(2) yes
Ce21 . O23 . Ce20 . 116.2(2) yes
Ce13 . O24 . Ce21 . 150.6(2) yes
Ce13 . O24 . Ce4 . 85.61(15) yes
Ce21 . O24 . Ce4 . 87.34(15) yes
Ce13 . O24 . Ce11 . 85.27(14) yes
Ce21 . O24 . Ce11 . 86.60(15) yes
Ce4 . O24 . Ce11 . 149.69(19) yes
Ce11 . O25 . Ce1 . 107.72(19) yes
Ce11 . O25 . Ce8 . 107.00(18) yes
Ce1 . O25 . Ce8 . 109.37(19) yes
Ce11 . O25 . Ce21 . 106.78(19) yes
Ce1 . O25 . Ce21 . 108.61(18) yes
Ce8 . O25 . Ce21 . 117.0(2) yes
Ce11 . O26 . Ce21 . 94.09(17) yes
Ce11 . O26 . C27 . 88.5(5) yes
Ce21 . O26 . C27 . 157.4(5) yes
O26 . C27 . Ce11 . 66.0(4) yes
O26 . C27 . O28 . 121.8(8) yes
Ce11 . C27 . O28 . 56.3(4) yes
O26 . C27 . C29 . 119.8(7) yes
Ce11 . C27 . C29 . 168.9(6) yes
O28 . C27 . C29 . 118.4(7) yes
Ce11 . O28 . C27 . 99.3(5) yes
C27 . C29 . C30 . 119.2(9) yes
C27 . C29 . C34 . 121.1(8) yes
C30 . C29 . C34 . 119.6(9) yes
C29 . C30 . C31 . 120.2(11) yes
C29 . C30 . H301 . 119.9 no
C31 . C30 . H301 . 119.9 no
C30 . C31 . C32 . 119.6(11) yes
C30 . C31 . H311 . 120.2 no
C32 . C31 . H311 . 120.1 no
C31 . C32 . C33 . 121.1(11) yes
C31 . C32 . H321 . 119.4 no
C33 . C32 . H321 . 119.4 no
C32 . C33 . C34 . 118.8(12) yes
C32 . C33 . H331 . 120.6 no
C34 . C33 . H331 . 120.6 no
C33 . C34 . C29 . 120.6(10) yes
C33 . C34 . H341 . 119.7 no
C29 . C34 . H341 . 119.7 no
Ce2 . O35 . Ce1 . 110.44(18) yes
Ce2 . O35 . Ce21 . 109.31(19) yes
Ce1 . O35 . Ce21 . 107.99(18) yes
Ce2 . O35 . Ce4 . 108.25(18) yes
Ce1 . O35 . Ce4 . 110.5(2) yes
Ce21 . O35 . Ce4 . 110.33(19) yes
Ce21 . O36 . Ce4 . 96.11(16) yes
Ce21 . O36 . C37 . 93.4(4) yes
Ce4 . O36 . C37 . 128.5(5) yes
Ce21 . C37 . O36 . 60.5(4) yes
Ce21 . C37 . O38 . 61.7(4) yes
O36 . C37 . O38 . 120.2(7) yes
Ce21 . C37 . C39 . 164.4(5) yes
O36 . C37 . C39 . 118.3(7) yes
O38 . C37 . C39 . 121.6(7) yes
Ce21 . O38 . C37 . 93.2(4) yes
C37 . C39 . C40 . 121.9(8) yes
C37 . C39 . C44 . 119.3(8) yes
C40 . C39 . C44 . 118.7(8) yes
C39 . C40 . C41 . 119.7(10) yes
C39 . C40 . H401 . 120.2 no
C41 . C40 . H401 . 120.1 no
C40 . C41 . C42 . 121.3(11) yes
C40 . C41 . H411 . 119.4 no
C42 . C41 . H411 . 119.3 no
C41 . C42 . C43 . 118.8(10) yes
C41 . C42 . H421 . 120.6 no
C43 . C42 . H421 . 120.6 no
C42 . C43 . C44 . 121.6(12) yes
C42 . C43 . H431 . 119.2 no
C44 . C43 . H431 . 119.2 no
C43 . C44 . C39 . 119.8(11) yes
C43 . C44 . H441 . 120.1 no
C39 . C44 . H441 . 120.1 no
Ce21 . O45 . C46 . 137.7(5) yes
O45 . C46 . O47 . 126.8(7) yes
O45 . C46 . C48 . 116.1(7) yes
O47 . C46 . C48 . 117.1(7) yes
Ce20 . O47 . C46 . 130.3(5) yes
C46 . C48 . C49 . 118.5(8) yes
C46 . C48 . C53 . 122.3(8) yes
C49 . C48 . C53 . 119.2(8) yes
C48 . C49 . C50 . 120.1(11) yes
C48 . C49 . H491 . 120.0 no
C50 . C49 . H491 . 120.0 no
C49 . C50 . C51 . 120.9(12) yes
C49 . C50 . H501 . 119.5 no
C51 . C50 . H501 . 119.6 no
C50 . C51 . C52 . 120.5(10) yes
C50 . C51 . H511 . 119.7 no
C52 . C51 . H511 . 119.8 no
C51 . C52 . C53 . 119.2(11) yes
C51 . C52 . H521 . 120.3 no
C53 . C52 . H521 . 120.4 no
C52 . C53 . C48 . 120.0(10) yes
C52 . C53 . H531 . 120.0 no
C48 . C53 . H531 . 120.0 no
Ce3 . O54 . Ce20 . 114.00(19) yes
Ce3 . O54 . Ce8 . 115.0(2) yes
Ce20 . O54 . Ce8 . 115.3(2) yes
Ce20 . O55 . C56 . 130.6(5) yes
O55 . C56 . O57 . 126.5(7) yes
O55 . C56 . C58 . 116.4(7) yes
O57 . C56 . C58 . 117.1(7) yes
Ce8 . O57 . C56 . 134.2(5) yes
C56 . C58 . C59 . 119.9(8) yes
C56 . C58 . C63 . 120.3(8) yes
C59 . C58 . C63 . 119.6(8) yes
C58 . C59 . C60 . 119.6(10) yes
C58 . C59 . H591 . 120.2 no
C60 . C59 . H591 . 120.2 no
C59 . C60 . C61 . 121.7(11) yes
C59 . C60 . H601 . 119.1 no
C61 . C60 . H601 . 119.2 no
C60 . C61 . C62 . 117.8(10) yes
C60 . C61 . H611 . 121.1 no
C62 . C61 . H611 . 121.2 no
C61 . C62 . C63 . 121.2(12) yes
C61 . C62 . H621 . 119.4 no
C63 . C62 . H621 . 119.5 no
C62 . C63 . C58 . 120.1(11) yes
C62 . C63 . H631 . 119.9 no
C58 . C63 . H631 . 120.0 no
Ce20 . O64 . C65 . 141.1(5) yes
O64 . C65 . O66 . 125.6(7) yes
O64 . C65 . C67 . 117.9(7) yes
O66 . C65 . C67 . 116.4(7) yes
C65 . O66 . Ce15 . 139.1(5) yes
C65 . C67 . C68 . 120.4(8) yes
C65 . C67 . C72 . 120.2(8) yes
C68 . C67 . C72 . 119.3(9) yes
C67 . C68 . C69 . 118.1(11) yes
C67 . C68 . H681 . 121.0 no
C69 . C68 . H681 . 120.9 no
C68 . C69 . C70 . 120.8(12) yes
C68 . C69 . H691 . 119.6 no
C70 . C69 . H691 . 119.6 no
C69 . C70 . C71 . 121.8(12) yes
C69 . C70 . H701 . 119.1 no
C71 . C70 . H701 . 119.1 no
C70 . C71 . C72 . 119.1(13) yes
C70 . C71 . H711 . 120.4 no
C72 . C71 . H711 . 120.4 no
C71 . C72 . C67 . 120.8(12) yes
C71 . C72 . H721 . 119.5 no
C67 . C72 . H721 . 119.7 no
Ce20 . O73 . C74 . 141.8(5) yes
O73 . C74 . O75 . 124.1(7) yes
O73 . C74 . C76 . 117.5(6) yes
O75 . C74 . C76 . 118.4(6) yes
C74 . O75 . Ce15 . 140.1(5) yes
C74 . C76 . C77 . 120.8(7) yes
C74 . C76 . C81 . 119.8(6) yes
C77 . C76 . C81 . 119.4(7) yes
C76 . C77 . C78 . 119.0(9) yes
C76 . C77 . H771 . 120.5 no
C78 . C77 . H771 . 120.5 no
C77 . C78 . C79 . 120.6(9) yes
C77 . C78 . H781 . 119.8 no
C79 . C78 . H781 . 119.7 no
C78 . C79 . C80 . 120.9(9) yes
C78 . C79 . H791 . 119.7 no
C80 . C79 . H791 . 119.4 no
C79 . C80 . C81 . 118.9(9) yes
C79 . C80 . H801 . 120.6 no
C81 . C80 . H801 . 120.5 no
C80 . C81 . C76 . 121.3(8) yes
C80 . C81 . H811 . 119.4 no
C76 . C81 . H811 . 119.4 no
Ce15 . O82 . C83 2_666 132.6(5) yes
O82 2_666 C83 . O84 . 126.6(6) yes
O82 2_666 C83 . C85 . 117.7(6) yes
O84 . C83 . C85 . 115.7(6) yes
C83 . O84 . Ce13 . 136.4(4) yes
C83 . C85 . C86 . 120.4(7) yes
C83 . C85 . C90 . 119.7(7) yes
C86 . C85 . C90 . 119.9(7) yes
C85 . C86 . C87 . 119.2(8) yes
C85 . C86 . H861 . 120.4 no
C87 . C86 . H861 . 120.4 no
C86 . C87 . C88 . 119.9(8) yes
C86 . C87 . H871 . 120.0 no
C88 . C87 . H871 . 120.0 no
C87 . C88 . C89 . 120.8(8) yes
C87 . C88 . H881 . 119.6 no
C89 . C88 . H881 . 119.6 no
C88 . C89 . C90 . 120.1(8) yes
C88 . C89 . H891 . 120.0 no
C90 . C89 . H891 . 119.9 no
C89 . C90 . C85 . 120.0(8) yes
C89 . C90 . H901 . 120.0 no
C85 . C90 . H901 . 120.0 no
Ce15 . O91 . C92 2_666 128.9(5) yes
O91 2_666 C92 . O93 . 125.5(6) yes
O91 2_666 C92 . C94 . 118.2(7) yes
O93 . C92 . C94 . 116.2(6) yes
C92 . O93 . Ce12 . 138.5(5) yes
C92 . C94 . C95 . 118.4(7) yes
C92 . C94 . C99 . 122.0(7) yes
C95 . C94 . C99 . 119.6(8) yes
C94 . C95 . C96 . 118.4(9) yes
C94 . C95 . H951 . 120.8 no
C96 . C95 . H951 . 120.8 no
C95 . C96 . C97 . 121.4(9) yes
C95 . C96 . H961 . 119.3 no
C97 . C96 . H961 . 119.3 no
C96 . C97 . C98 . 119.6(9) yes
C96 . C97 . H971 . 120.2 no
C98 . C97 . H971 . 120.2 no
C97 . C98 . C99 . 120.9(10) yes
C97 . C98 . H981 . 119.6 no
C99 . C98 . H981 . 119.5 no
C98 . C99 . C94 . 120.0(9) yes
C98 . C99 . H991 . 120.0 no
C94 . C99 . H991 . 119.9 no
Ce13 . O100 . Ce11 . 95.40(16) yes
Ce13 . O100 . C101 . 92.5(4) yes
Ce11 . O100 . C101 . 135.3(5) yes
Ce13 . C101 . O100 . 61.6(4) yes
Ce13 . C101 . O102 . 60.8(4) yes
O100 . C101 . O102 . 120.4(6) yes
Ce13 . C101 . C103 . 162.6(6) yes
O100 . C101 . C103 . 119.6(7) yes
O102 . C101 . C103 . 119.9(7) yes
Ce13 . O102 . C101 . 94.0(4) yes
C101 . C103 . C104 . 118.9(8) yes
C101 . C103 . C108 . 120.3(8) yes
C104 . C103 . C108 . 120.7(8) yes
C103 . C104 . C105 . 119.1(10) yes
C103 . C104 . H1041 . 120.4 no
C105 . C104 . H1041 . 120.5 no
C104 . C105 . C106 . 121.6(12) yes
C104 . C105 . H1051 . 119.2 no
C106 . C105 . H1051 . 119.3 no
C105 . C106 . C107 . 119.7(9) yes
C105 . C106 . H1061 . 120.1 no
C107 . C106 . H1061 . 120.2 no
C106 . C107 . C108 . 119.9(10) yes
C106 . C107 . H1071 . 120.0 no
C108 . C107 . H1071 . 120.1 no
C107 . C108 . C103 . 119.0(10) yes
C107 . C108 . H1081 . 120.5 no
C103 . C108 . H1081 . 120.5 no
Ce3 2_666 O109 . Ce1 . 111.20(19) yes
Ce3 2_666 O109 . Ce4 . 108.85(18) yes
Ce1 . O109 . Ce4 . 109.76(19) yes
Ce3 2_666 O109 . Ce13 . 108.45(19) yes
Ce1 . O109 . Ce13 . 108.13(18) yes
Ce4 . O109 . Ce13 . 110.45(19) yes
Ce4 . O110 . Ce13 . 95.98(16) yes
Ce4 . O110 . C111 . 89.7(4) yes
Ce13 . O110 . C111 . 131.9(4) yes
Ce4 . C111 . O110 . 63.8(4) yes
Ce4 . C111 . O112 . 60.6(4) yes
O110 . C111 . O112 . 120.4(7) yes
Ce4 . C111 . C113 . 155.6(5) yes
O110 . C111 . C113 . 118.4(7) yes
O112 . C111 . C113 . 121.0(7) yes
Ce4 . O112 . C111 . 94.2(4) yes
C111 . C113 . C114 . 120.6(7) yes
C111 . C113 . C118 . 119.3(7) yes
C114 . C113 . C118 . 120.0(8) yes
C113 . C114 . C115 . 119.2(9) yes
C113 . C114 . H1141 . 120.4 no
C115 . C114 . H1141 . 120.4 no
C114 . C115 . C116 . 121.3(11) yes
C114 . C115 . H1151 . 119.3 no
C116 . C115 . H1151 . 119.3 no
C115 . C116 . C117 . 120.3(10) yes
C115 . C116 . H1161 . 119.9 no
C117 . C116 . H1161 . 119.8 no
C116 . C117 . C118 . 118.5(11) yes
C116 . C117 . H1171 . 120.8 no
C118 . C117 . H1171 . 120.7 no
C117 . C118 . C113 . 120.2(10) yes
C117 . C118 . H1181 . 119.9 no
C113 . C118 . H1181 . 119.9 no
Ce11 . O119 . Ce12 . 95.10(16) yes
Ce11 . O119 . C120 . 90.5(5) yes
Ce12 . O119 . C120 . 147.3(5) yes
Ce11 . C120 . O119 . 64.0(4) yes
Ce11 . C120 . O121 . 58.2(4) yes
O119 . C120 . O121 . 121.9(7) yes
Ce11 . C120 . C122 . 174.0(5) yes
O119 . C120 . C122 . 117.4(8) yes
O121 . C120 . C122 . 120.7(7) yes
Ce11 . O121 . C120 . 97.3(5) yes
C120 . C122 . C123 . 120.9(7) yes
C120 . C122 . C127 . 118.8(8) yes
C123 . C122 . C127 . 120.3(8) yes
C122 . C123 . C124 . 120.3(8) yes
C122 . C123 . H1231 . 119.9 no
C124 . C123 . H1231 . 119.9 no
C123 . C124 . C125 . 119.4(10) yes
C123 . C124 . H1241 . 120.3 no
C125 . C124 . H1241 . 120.3 no
C124 . C125 . C126 . 120.7(9) yes
C124 . C125 . H1251 . 119.7 no
C126 . C125 . H1251 . 119.6 no
C125 . C126 . C127 . 120.4(10) yes
C125 . C126 . H1261 . 119.8 no
C127 . C126 . H1261 . 119.8 no
C126 . C127 . C122 . 118.8(10) yes
C126 . C127 . H1271 . 120.6 no
C122 . C127 . H1271 . 120.6 no
Ce2 2_666 O128 . Ce1 . 110.16(18) yes
Ce2 2_666 O128 . Ce12 . 108.95(19) yes
Ce1 . O128 . Ce12 . 108.52(19) yes
Ce2 2_666 O128 . Ce5 . 108.75(18) yes
Ce1 . O128 . Ce5 . 110.1(2) yes
Ce12 . O128 . Ce5 . 110.32(18) yes
Ce12 . O129 . Ce5 . 95.20(16) yes
Ce12 . O129 . C130 . 92.0(4) yes
Ce5 . O129 . C130 . 129.1(5) yes
Ce12 . C130 . O129 . 61.3(4) yes
Ce12 . C130 . O131 . 61.2(4) yes
O129 . C130 . O131 . 120.2(7) yes
Ce12 . C130 . C132 . 163.2(6) yes
O129 . C130 . C132 . 119.3(7) yes
O131 . C130 . C132 . 120.5(7) yes
Ce12 . O131 . C130 . 93.7(4) yes
C130 . C132 . C133 . 120.8(8) yes
C130 . C132 . C137 . 118.2(8) yes
C133 . C132 . C137 . 121.0(8) yes
C132 . C133 . C134 . 119.7(10) yes
C132 . C133 . H1331 . 120.2 no
C134 . C133 . H1331 . 120.1 no
C133 . C134 . C135 . 118.9(12) yes
C133 . C134 . H1341 . 120.6 no
C135 . C134 . H1341 . 120.4 no
C134 . C135 . C136 . 121.3(11) yes
C134 . C135 . H1351 . 119.5 no
C136 . C135 . H1351 . 119.3 no
C135 . C136 . C137 . 120.1(11) yes
C135 . C136 . H1361 . 120.0 no
C137 . C136 . H1361 . 119.9 no
C132 . C137 . C136 . 118.9(11) yes
C132 . C137 . H1371 . 120.6 no
C136 . C137 . H1371 . 120.5 no
Ce8 . O138 . Ce11 . 95.63(17) yes
Ce8 . O138 . C139 . 93.5(4) yes
Ce11 . O138 . C139 . 131.2(5) yes
O138 . C139 . Ce8 . 60.6(3) yes
O138 . C139 . O140 . 119.7(6) yes
Ce8 . C139 . O140 . 60.1(4) yes
O138 . C139 . C141 . 119.2(7) yes
Ce8 . C139 . C141 . 168.9(5) yes
O140 . C139 . C141 . 121.0(7) yes
Ce8 . O140 . C139 . 94.9(4) yes
C139 . C141 . C142 . 120.8(7) yes
C139 . C141 . C146 . 119.7(8) yes
C142 . C141 . C146 . 119.6(8) yes
C141 . C142 . C143 . 119.5(9) yes
C141 . C142 . H1421 . 120.3 no
C143 . C142 . H1421 . 120.3 no
C142 . C143 . C144 . 120.1(10) yes
C142 . C143 . H1431 . 119.9 no
C144 . C143 . H1431 . 120.0 no
C143 . C144 . C145 . 120.4(9) yes
C143 . C144 . H1441 . 119.8 no
C145 . C144 . H1441 . 119.8 no
C144 . C145 . C146 . 120.2(10) yes
C144 . C145 . H1451 . 119.9 no
C146 . C145 . H1451 . 119.9 no
C145 . C146 . C141 . 120.1(10) yes
C145 . C146 . H1461 . 119.9 no
C141 . C146 . H1461 . 120.0 no
Ce5 . O147 . Ce8 . 95.24(16) yes
Ce5 . O147 . C148 . 90.5(4) yes
Ce8 . O147 . C148 . 130.3(4) yes
Ce5 . C148 . O147 . 63.3(3) yes
Ce5 . C148 . O149 . 61.2(3) yes
O147 . C148 . O149 . 119.4(5) yes
Ce5 . C148 . C150 . 143.3(5) yes
O147 . C148 . C150 . 120.6(6) yes
O149 . C148 . C150 . 118.1(6) yes
Ce5 . C148 . O147 . 63.3(3) yes
Ce5 . C148 . O149 . 61.2(3) yes
O147 . C148 . O149 . 119.4(5) yes
Ce5 . C148 . C151 . 149.3(4) yes
O147 . C148 . C151 . 121.1(5) yes
O149 . C148 . C151 . 119.0(4) yes
Ce5 . O149 . C148 . 93.4(4) yes
C148 . C150 . C152 . 119.54(6) yes
C148 . C150 . C160 . 119.54(6) yes
C152 . C150 . C160 . 120.91(5) yes
C148 . C151 . C153 . 119.54(6) yes
C148 . C151 . C161 . 119.54(6) yes
C153 . C151 . C161 . 120.90(5) yes
C150 . C152 . C154 . 119.72(6) yes
C150 . C152 . H1521 . 119.9 no
C154 . C152 . H1521 . 120.2 no
C151 . C153 . C155 . 119.72(6) yes
C151 . C153 . H1531 . 120.0 no
C155 . C153 . H1531 . 120.3 no
C152 . C154 . C156 . 119.43(6) yes
C152 . C154 . H1541 . 120.3 no
C156 . C154 . H1541 . 120.1 no
C153 . C155 . C157 . 119.43(6) yes
C153 . C155 . H1551 . 120.2 no
C157 . C155 . H1551 . 120.4 no
C154 . C156 . C158 . 120.76(6) yes
C154 . C156 . H1561 . 119.8 no
C158 . C156 . H1561 . 119.4 no
C155 . C157 . C159 . 120.76(6) yes
C155 . C157 . H1571 . 119.7 no
C159 . C157 . H1571 . 119.5 no
C156 . C158 . C160 . 119.44(6) yes
C156 . C158 . H1581 . 120.6 no
C160 . C158 . H1581 . 119.8 no
C157 . C159 . C161 . 119.44(6) yes
C157 . C159 . H1591 . 120.6 no
C161 . C159 . H1591 . 119.9 no
C158 . C160 . C150 . 119.73(6) yes
C158 . C160 . H1601 . 120.7 no
C150 . C160 . H1601 . 119.5 no
C159 . C161 . C151 . 119.72(6) yes
C159 . C161 . H1611 . 120.5 no
C151 . C161 . H1611 . 119.7 no
Ce5 . O162 . C163 . 132.8(5) yes
O164 2_666 C163 . O162 . 125.9(7) yes
O164 2_666 C163 . C165 . 117.5(7) yes
O162 . C163 . C165 . 116.6(6) yes
Ce4 . O164 . C163 2_666 132.6(5) yes
C163 . C165 . C166 . 119.7(7) yes
C163 . C165 . C170 . 119.8(7) yes
C166 . C165 . C170 . 120.5(7) yes
C165 . C166 . C167 . 118.3(9) yes
C165 . C166 . H1661 . 120.9 no
C167 . C166 . H1661 . 120.8 no
C166 . C167 . C168 . 120.7(9) yes
C166 . C167 . H1671 . 119.6 no
C168 . C167 . H1671 . 119.6 no
C167 . C168 . C169 . 120.7(8) yes
C167 . C168 . H1681 . 119.6 no
C169 . C168 . H1681 . 119.7 no
C168 . C169 . C170 . 119.9(10) yes
C168 . C169 . H1691 . 120.0 no
C170 . C169 . H1691 . 120.1 no
C165 . C170 . C169 . 119.9(10) yes
C165 . C170 . H1701 . 120.1 no
C169 . C170 . H1701 . 120.0 no
Ce1 2_666 O171 . Ce1 . 106.22(18) yes
Ce1 2_666 O171 . Ce2 . 110.33(17) yes
Ce1 . O171 . Ce2 . 109.66(18) yes
Ce1 2_666 O171 . Ce3 . 110.84(18) yes
Ce1 . O171 . Ce3 . 110.50(18) yes
Ce2 . O171 . Ce3 . 109.25(19) yes
Ce3 . N172 . C173 . 122.5(5) yes
Ce3 . N172 . C177 . 121.3(5) yes
C173 . N172 . C177 . 116.2(7) yes
N172 . C173 . C174 . 123.6(8) yes
N172 . C173 . H1731 . 118.2 no
C174 . C173 . H1731 . 118.2 no
C173 . C174 . C175 . 119.4(8) yes
C173 . C174 . H1741 . 120.3 no
C175 . C174 . H1741 . 120.3 no
C174 . C175 . C176 . 118.0(8) yes
C174 . C175 . H1751 . 121.0 no
C176 . C175 . H1751 . 121.0 no
C175 . C176 . C177 . 119.0(8) yes
C175 . C176 . H1761 . 120.5 no
C177 . C176 . H1761 . 120.5 no
C176 . C177 . N172 . 123.8(8) yes
C176 . C177 . H1771 . 118.1 no
N172 . C177 . H1771 . 118.1 no
Ce2 . N178 . C179 . 123.2(5) yes
Ce2 . N178 . C183 . 119.4(6) yes
C179 . N178 . C183 . 116.0(8) yes
N178 . C179 . C180 . 125.6(9) yes
N178 . C179 . H1791 . 117.1 no
C180 . C179 . H1791 . 117.2 no
C179 . C180 . C181 . 116.9(10) yes
C179 . C180 . H1801 . 121.5 no
C181 . C180 . H1801 . 121.6 no
C180 . C181 . C182 . 118.6(9) yes
C180 . C181 . H1811 . 120.7 no
C182 . C181 . H1811 . 120.7 no
C181 . C182 . C183 . 119.6(11) yes
C181 . C182 . H1821 . 120.3 no
C183 . C182 . H1821 . 120.2 no
C182 . C183 . N178 . 123.2(10) yes
C182 . C183 . H1831 . 118.4 no
N178 . C183 . H1831 . 118.4 no
C185 . N184 . C189 . 118.0(7) yes
N184 . C185 . C186 . 123.2(8) yes
N184 . C185 . H1851 . 118.4 no
C186 . C185 . H1851 . 118.4 no
C185 . C186 . C187 . 118.0(8) yes
C185 . C186 . H1861 . 121.0 no
C187 . C186 . H1861 . 121.0 no
C186 . C187 . C188 . 119.3(8) yes
C186 . C187 . H1871 . 120.4 no
C188 . C187 . H1871 . 120.3 no
C187 . C188 . C189 . 118.8(9) yes
C187 . C188 . H1881 . 120.6 no
C189 . C188 . H1881 . 120.6 no
C188 . C189 . N184 . 122.7(8) yes
C188 . C189 . H1891 . 118.7 no
N184 . C189 . H1891 . 118.6 no
C191 . N190 . C195 . 118.6(8) yes
N190 . C191 . C192 . 123.3(10) yes
N190 . C191 . H1911 . 118.4 no
C192 . C191 . H1911 . 118.4 no
C191 . C192 . C193 . 118.8(10) yes
C191 . C192 . H1921 . 120.6 no
C193 . C192 . H1921 . 120.5 no
C192 . C193 . C194 . 118.4(10) yes
C192 . C193 . H1931 . 120.9 no
C194 . C193 . H1931 . 120.8 no
C193 . C194 . C195 . 118.5(10) yes
C193 . C194 . H1941 . 120.8 no
C195 . C194 . H1941 . 120.8 no
C194 . C195 . N190 . 122.4(9) yes
C194 . C195 . H1951 . 118.8 no
N190 . C195 . H1951 . 118.8 no
C197 . N196 . C201 . 119.28(6) yes
N196 . C197 . C198 . 122.43(6) yes
N196 . C197 . H1965 . 134.6 no
C198 . C197 . H1965 . 100.9 no
C197 . C198 . C199 . 120.60(6) yes
C197 . C198 . H1964 . 119.6 no
C199 . C198 . H1964 . 119.8 no
C198 . C199 . C200 . 114.67(6) yes
C198 . C199 . H1963 . 122.8 no
C200 . C199 . H1963 . 122.6 no
C199 . C200 . C201 . 120.59(6) yes
C199 . C200 . H1962 . 120.0 no
C201 . C200 . H1962 . 119.4 no
N196 . C201 . C200 . 122.42(6) yes
N196 . C201 . H1961 . 118.6 no
C200 . C201 . H1961 . 119.0 no
C203 . N202 . C207 . 111.55(6) yes
N202 . C203 . C204 . 127.37(6) yes
N202 . C203 . H2031 . 116.3 no
C204 . C203 . H2031 . 116.3 no
C203 . C204 . C205 . 117.83(6) yes
C203 . C204 . H2041 . 121.1 no
C205 . C204 . H2041 . 121.1 no
C204 . C205 . C206 . 118.02(6) yes
C204 . C205 . H2051 . 120.9 no
C206 . C205 . H2051 . 121.0 no
C205 . C206 . C207 . 117.85(6) yes
C205 . C206 . H2061 . 121.0 no
C207 . C206 . H2061 . 121.2 no
C206 . C207 . N202 . 127.37(6) yes
C206 . C207 . H2071 . 116.2 no
N202 . C207 . H2071 . 116.4 no
C209 . N208 . C213 . 117.39(6) yes
N208 . C209 . C210 . 124.72(6) yes
N208 . C209 . H2091 . 117.4 no
C210 . C209 . H2091 . 117.9 no
C209 . C210 . C211 . 110.46(6) yes
C209 . C210 . H2101 . 124.6 no
C211 . C210 . H2101 . 124.9 no
C210 . C211 . C212 . 132.26(6) yes
C210 . C211 . H2111 . 114.0 no
C212 . C211 . H2111 . 113.7 no
C211 . C212 . C213 . 110.45(6) yes
C211 . C212 . H2121 . 125.2 no
C213 . C212 . H2121 . 124.3 no
C212 . C213 . N208 . 124.72(6) yes
C212 . C213 . H2131 . 118.2 no
N208 . C213 . H2131 . 117.1 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ce1 . Ce3 2_666 3.8591(5) yes
Ce1 . Ce1 2_666 3.7957(7) yes
Ce1 . O171 2_666 2.381(5) yes
Ce1 . Ce2 . 3.8288(5) yes
Ce1 . Ce4 . 3.7631(5) yes
Ce1 . Ce5 . 3.7481(5) yes
Ce1 . Ce8 . 3.7483(5) yes
Ce1 . O9 . 2.319(5) yes
Ce1 . Ce11 . 3.8218(5) yes
Ce1 . Ce12 . 3.7229(5) yes
Ce1 . Ce13 . 3.7167(5) yes
Ce1 . O14 . 2.312(5) yes
Ce1 . O25 . 2.321(5) yes
Ce1 . O35 . 2.305(5) yes
Ce1 . O109 . 2.313(5) yes
Ce1 . O128 . 2.311(5) yes
Ce1 . O171 . 2.365(4) yes
Ce2 . Ce12 2_666 3.8005(5) yes
Ce2 . Ce5 2_666 3.7838(5) yes
Ce2 . O128 2_666 2.393(5) yes
Ce2 . Ce3 . 3.7709(5) yes
Ce2 . O7 . 2.321(5) yes
Ce2 . Ce15 . 3.7585(5) yes
Ce2 . O18 . 2.293(5) yes
Ce2 . O19 . 2.402(5) yes
Ce2 . Ce20 . 3.7883(5) yes
Ce2 . Ce21 . 3.7947(5) yes
Ce2 . O23 . 2.305(5) yes
Ce2 . O35 . 2.357(4) yes
Ce2 . O171 . 2.319(4) yes
Ce2 . N178 . 2.644(6) yes
Ce3 . Ce4 2_666 3.7846(5) yes
Ce3 . Ce13 2_666 3.7666(5) yes
Ce3 . O109 2_666 2.364(5) yes
Ce3 . Ce5 . 3.7720(5) yes
Ce3 . O6 . 2.305(5) yes
Ce3 . Ce8 . 3.7966(5) yes
Ce3 . O9 . 2.373(5) yes
Ce3 . Ce15 . 3.8067(5) yes
Ce3 . O17 . 2.306(4) yes
Ce3 . O19 . 2.413(5) yes
Ce3 . O54 . 2.311(5) yes
Ce3 . O171 . 2.306(5) yes
Ce3 . N172 . 2.674(6) yes
Ce4 . Ce5 2_666 3.5302(5) yes
Ce4 . O6 2_666 2.223(5) yes
Ce4 . O7 . 2.207(5) yes
Ce4 . Ce13 . 3.7504(5) yes
Ce4 . Ce21 . 3.7510(5) yes
Ce4 . O24 . 2.820(5) yes
Ce4 . O35 . 2.275(5) yes
Ce4 . O36 . 2.490(5) yes
Ce4 . O109 . 2.288(5) yes
Ce4 . O110 . 2.602(5) yes
Ce4 . C111 . 2.900(7) yes
Ce4 . O112 . 2.534(5) yes
Ce4 . O164 . 2.419(5) yes
Ce5 . O7 2_666 2.204(5) yes
Ce5 . O6 . 2.221(5) yes
Ce5 . O9 . 2.272(5) yes
Ce5 . O10 . 2.866(5) yes
Ce5 . Ce12 . 3.7230(5) yes
Ce5 . O128 . 2.261(5) yes
Ce5 . O129 . 2.499(5) yes
Ce5 . O147 . 2.596(5) yes
Ce5 . C148 . 2.906(5) yes
Ce5 . O149 . 2.552(5) yes
Ce5 . O162 . 2.394(5) yes
Ce8 . O9 . 2.284(5) yes
Ce8 . O10 . 2.676(5) yes
Ce8 . Ce11 . 3.7660(5) yes
Ce8 . Ce20 . 3.7070(5) yes
Ce8 . Ce21 . 3.8653(5) yes
Ce8 . O22 . 2.383(5) yes
Ce8 . O25 . 2.273(5) yes
Ce8 . O54 . 2.191(5) yes
Ce8 . O57 . 2.419(5) yes
Ce8 . O138 . 2.572(5) yes
Ce8 . C139 . 2.945(7) yes
Ce8 . O140 . 2.562(5) yes
Ce8 . O147 . 2.479(5) yes
O10 . Ce11 . 2.754(5) yes
O10 . Ce12 . 2.646(5) yes
Ce11 . Ce13 . 3.7640(6) yes
Ce11 . O14 . 2.414(5) yes
Ce11 . Ce21 . 3.7519(5) yes
Ce11 . O24 . 2.856(5) yes
Ce11 . O25 . 2.411(4) yes
Ce11 . O26 . 2.712(5) yes
Ce11 . C27 . 2.966(8) yes
Ce11 . O28 . 2.500(6) yes
Ce11 . O100 . 2.509(5) yes
Ce11 . O119 . 2.653(5) yes
Ce11 . C120 . 2.952(8) yes
Ce11 . O121 . 2.529(6) yes
Ce11 . O138 . 2.511(5) yes
Ce12 . Ce15 2_666 3.7016(5) yes
Ce12 . O18 2_666 2.210(5) yes
Ce12 . Ce13 . 3.8537(5) yes
Ce12 . O14 . 2.267(5) yes
Ce12 . O16 . 2.379(5) yes
Ce12 . O93 . 2.360(5) yes
Ce12 . O119 . 2.392(5) yes
Ce12 . O128 . 2.276(4) yes
Ce12 . O129 . 2.543(5) yes
Ce12 . C130 . 2.897(7) yes
Ce12 . O131 . 2.544(5) yes
Ce13 . Ce15 2_666 3.7332(5) yes
Ce13 . O17 2_666 2.188(5) yes
Ce13 . O14 . 2.245(5) yes
Ce13 . O16 . 2.418(5) yes
Ce13 . O24 . 2.698(5) yes
Ce13 . O84 . 2.370(5) yes
Ce13 . O100 . 2.580(5) yes
Ce13 . C101 . 2.930(7) yes
Ce13 . O102 . 2.564(5) yes
Ce13 . O109 . 2.278(5) yes
Ce13 . O110 . 2.443(5) yes
Ce15 . O16 2_666 2.424(5) yes
Ce15 . O17 . 2.219(5) yes
Ce15 . O18 . 2.183(5) yes
Ce15 . O19 . 2.343(4) yes
Ce15 . O66 . 2.389(6) yes
Ce15 . O75 . 2.338(6) yes
Ce15 . O82 . 2.468(5) yes
Ce15 . O91 . 2.489(5) yes
O16 . H161 . 0.950 no
O19 . Ce20 . 2.341(5) yes
Ce20 . O22 . 2.446(5) yes
Ce20 . O23 . 2.188(5) yes
Ce20 . O47 . 2.469(5) yes
Ce20 . O54 . 2.198(5) yes
Ce20 . O55 . 2.420(5) yes
Ce20 . O64 . 2.363(5) yes
Ce20 . O73 . 2.373(5) yes
Ce21 . O22 . 2.413(5) yes
Ce21 . O23 . 2.211(5) yes
Ce21 . O24 . 2.608(5) yes
Ce21 . O25 . 2.261(5) yes
Ce21 . O26 . 2.407(5) yes
Ce21 . O35 . 2.295(5) yes
Ce21 . O36 . 2.552(5) yes
Ce21 . C37 . 2.928(8) yes
Ce21 . O38 . 2.581(5) yes
Ce21 . O45 . 2.364(5) yes
O22 . H221 . 0.950 no
O26 . C27 . 1.275(9) yes
C27 . O28 . 1.243(10) yes
C27 . C29 . 1.491(12) yes
C29 . C30 . 1.386(12) yes
C29 . C34 . 1.367(14) yes
C30 . C31 . 1.403(15) yes
C30 . H301 . 0.950 no
C31 . C32 . 1.328(18) yes
C31 . H311 . 0.950 no
C32 . C33 . 1.414(18) yes
C32 . H321 . 0.950 no
C33 . C34 . 1.379(15) yes
C33 . H331 . 0.950 no
C34 . H341 . 0.950 no
O36 . C37 . 1.291(9) yes
C37 . O38 . 1.244(9) yes
C37 . C39 . 1.491(11) yes
C39 . C40 . 1.370(12) yes
C39 . C44 . 1.379(13) yes
C40 . C41 . 1.390(13) yes
C40 . H401 . 0.950 no
C41 . C42 . 1.375(18) yes
C41 . H411 . 0.950 no
C42 . C43 . 1.324(19) yes
C42 . H421 . 0.950 no
C43 . C44 . 1.404(14) yes
C43 . H431 . 0.950 no
C44 . H441 . 0.950 no
O45 . C46 . 1.252(10) yes
C46 . O47 . 1.270(9) yes
C46 . C48 . 1.512(11) yes
C48 . C49 . 1.397(13) yes
C48 . C53 . 1.373(13) yes
C49 . C50 . 1.355(14) yes
C49 . H491 . 0.950 no
C50 . C51 . 1.361(18) yes
C50 . H501 . 0.950 no
C51 . C52 . 1.372(17) yes
C51 . H511 . 0.950 no
C52 . C53 . 1.396(13) yes
C52 . H521 . 0.950 no
C53 . H531 . 0.950 no
O55 . C56 . 1.258(9) yes
C56 . O57 . 1.254(9) yes
C56 . C58 . 1.502(11) yes
C58 . C59 . 1.385(13) yes
C58 . C63 . 1.386(13) yes
C59 . C60 . 1.408(14) yes
C59 . H591 . 0.950 no
C60 . C61 . 1.384(19) yes
C60 . H601 . 0.950 no
C61 . C62 . 1.39(2) yes
C61 . H611 . 0.950 no
C62 . C63 . 1.402(15) yes
C62 . H621 . 0.950 no
C63 . H631 . 0.950 no
O64 . C65 . 1.241(9) yes
C65 . O66 . 1.245(9) yes
C65 . C67 . 1.509(10) yes
C67 . C68 . 1.375(12) yes
C67 . C72 . 1.381(13) yes
C68 . C69 . 1.415(16) yes
C68 . H681 . 0.950 no
C69 . C70 . 1.33(2) yes
C69 . H691 . 0.950 no
C70 . C71 . 1.34(2) yes
C70 . H701 . 0.950 no
C71 . C72 . 1.386(15) yes
C71 . H711 . 0.950 no
C72 . H721 . 0.950 no
O73 . C74 . 1.244(8) yes
C74 . O75 . 1.255(9) yes
C74 . C76 . 1.493(9) yes
C76 . C77 . 1.395(10) yes
C76 . C81 . 1.381(11) yes
C77 . C78 . 1.399(13) yes
C77 . H771 . 0.950 no
C78 . C79 . 1.359(16) yes
C78 . H781 . 0.950 no
C79 . C80 . 1.386(16) yes
C79 . H791 . 0.950 no
C80 . C81 . 1.381(12) yes
C80 . H801 . 0.950 no
C81 . H811 . 0.950 no
O82 . C83 2_666 1.250(9) yes
C83 . O84 . 1.262(9) yes
C83 . C85 . 1.521(9) yes
C85 . C86 . 1.388(11) yes
C85 . C90 . 1.386(11) yes
C86 . C87 . 1.410(11) yes
C86 . H861 . 0.950 no
C87 . C88 . 1.366(13) yes
C87 . H871 . 0.950 no
C88 . C89 . 1.373(13) yes
C88 . H881 . 0.950 no
C89 . C90 . 1.388(11) yes
C89 . H891 . 0.950 no
C90 . H901 . 0.950 no
O91 . C92 2_666 1.261(9) yes
C92 . O93 . 1.256(9) yes
C92 . C94 . 1.517(10) yes
C94 . C95 . 1.389(11) yes
C94 . C99 . 1.376(12) yes
C95 . C96 . 1.404(12) yes
C95 . H951 . 0.950 no
C96 . C97 . 1.359(15) yes
C96 . H961 . 0.950 no
C97 . C98 . 1.350(15) yes
C97 . H971 . 0.950 no
C98 . C99 . 1.391(13) yes
C98 . H981 . 0.950 no
C99 . H991 . 0.950 no
O100 . C101 . 1.281(9) yes
C101 . O102 . 1.252(9) yes
C101 . C103 . 1.492(10) yes
C103 . C104 . 1.396(13) yes
C103 . C108 . 1.398(12) yes
C104 . C105 . 1.380(13) yes
C104 . H1041 . 0.950 no
C105 . C106 . 1.372(18) yes
C105 . H1051 . 0.950 no
C106 . C107 . 1.402(18) yes
C106 . H1061 . 0.950 no
C107 . C108 . 1.402(13) yes
C107 . H1071 . 0.950 no
C108 . H1081 . 0.950 no
O110 . C111 . 1.293(9) yes
C111 . O112 . 1.238(9) yes
C111 . C113 . 1.479(10) yes
C113 . C114 . 1.389(12) yes
C113 . C118 . 1.378(12) yes
C114 . C115 . 1.381(14) yes
C114 . H1141 . 0.950 no
C115 . C116 . 1.349(18) yes
C115 . H1151 . 0.950 no
C116 . C117 . 1.404(19) yes
C116 . H1161 . 0.950 no
C117 . C118 . 1.391(14) yes
C117 . H1171 . 0.950 no
C118 . H1181 . 0.950 no
O119 . C120 . 1.272(9) yes
C120 . O121 . 1.235(11) yes
C120 . C122 . 1.520(11) yes
C122 . C123 . 1.358(12) yes
C122 . C127 . 1.380(12) yes
C123 . C124 . 1.400(12) yes
C123 . H1231 . 0.950 no
C124 . C125 . 1.345(14) yes
C124 . H1241 . 0.950 no
C125 . C126 . 1.371(16) yes
C125 . H1251 . 0.950 no
C126 . C127 . 1.385(14) yes
C126 . H1261 . 0.950 no
C127 . H1271 . 0.950 no
O129 . C130 . 1.301(9) yes
C130 . O131 . 1.232(10) yes
C130 . C132 . 1.492(11) yes
C132 . C133 . 1.381(13) yes
C132 . C137 . 1.380(13) yes
C133 . C134 . 1.382(14) yes
C133 . H1331 . 0.950 no
C134 . C135 . 1.38(2) yes
C134 . H1341 . 0.950 no
C135 . C136 . 1.36(2) yes
C135 . H1351 . 0.950 no
C136 . C137 . 1.385(14) yes
C136 . H1361 . 0.950 no
C137 . H1371 . 0.950 no
O138 . C139 . 1.287(9) yes
C139 . O140 . 1.250(9) yes
C139 . C141 . 1.496(10) yes
C141 . C142 . 1.395(13) yes
C141 . C146 . 1.356(12) yes
C142 . C143 . 1.392(12) yes
C142 . H1421 . 0.950 no
C143 . C144 . 1.352(15) yes
C143 . H1431 . 0.950 no
C144 . C145 . 1.367(16) yes
C144 . H1441 . 0.950 no
C145 . C146 . 1.390(13) yes
C145 . H1451 . 0.950 no
C146 . H1461 . 0.950 no
O147 . C148 . 1.285(7) yes
C148 . O149 . 1.248(8) yes
C148 . C150 . 1.487(7) yes
C148 . O149 . 1.248(8) yes
C148 . C151 . 1.488(6) yes
C150 . C152 . 1.357(6) yes
C150 . C160 . 1.355(6) yes
C151 . C153 . 1.363(5) yes
C151 . C161 . 1.351(6) yes
C152 . C154 . 1.411(6) yes
C152 . H1521 . 0.950 no
C153 . C155 . 1.408(5) yes
C153 . H1531 . 0.950 no
C154 . C156 . 1.363(6) yes
C154 . H1541 . 0.950 no
C155 . C157 . 1.364(6) yes
C155 . H1551 . 0.950 no
C156 . C158 . 1.362(6) yes
C156 . H1561 . 0.950 no
C157 . C159 . 1.362(6) yes
C157 . H1571 . 0.950 no
C158 . C160 . 1.412(6) yes
C158 . H1581 . 0.950 no
C159 . C161 . 1.415(5) yes
C159 . H1591 . 0.950 no
C160 . H1601 . 0.950 no
C161 . H1611 . 0.950 no
O162 . C163 . 1.250(9) yes
C163 . O164 2_666 1.256(9) yes
C163 . C165 . 1.520(10) yes
C165 . C166 . 1.385(12) yes
C165 . C170 . 1.386(12) yes
C166 . C167 . 1.418(11) yes
C166 . H1661 . 0.950 no
C167 . C168 . 1.340(15) yes
C167 . H1671 . 0.950 no
C168 . C169 . 1.391(17) yes
C168 . H1681 . 0.950 no
C169 . C170 . 1.375(12) yes
C169 . H1691 . 0.950 no
C170 . H1701 . 0.950 no
N172 . C173 . 1.326(10) yes
N172 . C177 . 1.341(10) yes
C173 . C174 . 1.387(11) yes
C173 . H1731 . 0.950 no
C174 . C175 . 1.363(12) yes
C174 . H1741 . 0.950 no
C175 . C176 . 1.380(12) yes
C175 . H1751 . 0.950 no
C176 . C177 . 1.377(11) yes
C176 . H1761 . 0.950 no
C177 . H1771 . 0.950 no
N178 . C179 . 1.298(11) yes
N178 . C183 . 1.321(11) yes
C179 . C180 . 1.395(12) yes
C179 . H1791 . 0.950 no
C180 . C181 . 1.365(15) yes
C180 . H1801 . 0.950 no
C181 . C182 . 1.354(18) yes
C181 . H1811 . 0.950 no
C182 . C183 . 1.381(14) yes
C182 . H1821 . 0.950 no
C183 . H1831 . 0.950 no
N184 . C185 . 1.338(11) yes
N184 . C189 . 1.329(11) yes
C185 . C186 . 1.388(12) yes
C185 . H1851 . 0.950 no
C186 . C187 . 1.391(14) yes
C186 . H1861 . 0.950 no
C187 . C188 . 1.367(13) yes
C187 . H1871 . 0.950 no
C188 . C189 . 1.398(11) yes
C188 . H1881 . 0.950 no
C189 . H1891 . 0.950 no
N190 . C191 . 1.305(11) yes
N190 . C195 . 1.332(12) yes
C191 . C192 . 1.357(14) yes
C191 . H1911 . 0.950 no
C192 . C193 . 1.398(17) yes
C192 . H1921 . 0.950 no
C193 . C194 . 1.362(15) yes
C193 . H1931 . 0.950 no
C194 . C195 . 1.386(13) yes
C194 . H1941 . 0.950 no
C195 . H1951 . 0.950 no
N196 . C197 . 1.357(5) yes
N196 . C201 . 1.344(5) yes
C197 . C198 . 1.194(5) yes
C197 . H1965 . 0.950 no
C198 . C199 . 1.455(5) yes
C198 . H1964 . 0.950 no
C199 . C200 . 1.417(5) yes
C199 . H1963 . 0.950 no
C200 . C201 . 1.222(6) yes
C200 . H1962 . 0.950 no
C201 . H1961 . 0.950 no
N202 . C203 . 1.328(6) yes
N202 . C207 . 1.319(6) yes
C203 . C204 . 1.368(6) yes
C203 . H2031 . 0.950 no
C204 . C205 . 1.360(6) yes
C204 . H2041 . 0.950 no
C205 . C206 . 1.369(6) yes
C205 . H2051 . 0.950 no
C206 . C207 . 1.368(6) yes
C206 . H2061 . 0.950 no
C207 . H2071 . 0.950 no
N208 . C209 . 1.323(6) yes
N208 . C213 . 1.320(6) yes
C209 . C210 . 1.356(6) yes
C209 . H2091 . 0.950 no
C210 . C211 . 1.322(6) yes
C210 . H2101 . 0.950 no
C211 . C212 . 1.324(6) yes
C211 . H2111 . 0.950 no
C212 . C213 . 1.357(6) yes
C212 . H2121 . 0.950 no
C213 . H2131 . 0.950 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_site_symmetry_D
_geom_hbond_atom_site_label_H
_geom_hbond_site_symmetry_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C34 . H341 . O45 . 176 0.95 2.57 3.519(15) yes
C123 . H1231 . O93 . 150 0.95 2.49 3.347(15) yes
C160 . H1601 . C176 . 141 0.95 2.58 3.371(15) yes
C160 . H1601 . C177 . 165 0.95 2.52 3.448(15) yes
C179 . H1791 . O23 . 126 0.95 2.38 3.029(15) yes
C183 . H1831 . O129 2_666 148 0.95 2.37 3.211(15) yes
C185 . H1851 . O100 . 143 0.95 2.55 3.360(15) yes
C189 . H1891 . O91 2_666 130 0.95 2.46 3.151(15) yes
C191 . H1911 . O138 . 150 0.95 2.45 3.312(15) yes
C200 . H1962 . C200 2_766 140 0.95 2.53 3.312(15) yes
O16 . H161 . N184 . 180 0.95 1.87 2.818(15) yes
O22 . H221 . N190 . 180 0.95 1.85 2.799(15) yes
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.237 0.519 1.014 218 60 ' 2(C5H5N) '
2 0.263 1.019 0.486 218 60 ' 2(C5H5N)'
3 0.737 -0.019 0.514 218 60 ' 2(C5H5N)'
4 0.763 0.481 -0.014 218 60 ' 2(C5H5N)'
loop_
_oxford_refln_omitted_index_h
_oxford_refln_omitted_index_k
_oxford_refln_omitted_index_l
_oxford_refln_omitted_flag
_oxford_refln_omitted_details
2 0 2 x .
