#------------------------------------------------------------------------------
#$Date: 2021-12-22 00:55:48 +0200 (Wed, 22 Dec 2021) $
#$Revision: 271561 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/94/7129443.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_7129443
loop_
_publ_author_name
'Grödler, Dennis'
'Weidemann, Martin L.'
'Lichtenberg, Andreas'
'Greven, Tobias'
'Nickstadt, Robin'
'Haydo, Malek'
'Wickleder, Mathias'
'Klein, Axel'
'Johrendt, Dirk'
'Mathur, Sanjay'
'Zegke, Markus'
'Raauf, Aida'
_publ_section_title
;
 Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through
 simple ligand exchange
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC05444A
_journal_year                    2022
_chemical_formula_moiety         'C60 H130 Dy4 O22 U2, 2(C6 H6)'
_chemical_formula_sum            'C72 H142 Dy4 O22 U2'
_chemical_formula_weight         2485.91
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2021-09-15
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2021-11-17 deposited with the CCDC.	2021-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.612(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.5252(13)
_cell_length_b                   17.6822(13)
_cell_length_c                   32.478(3)
_cell_measurement_reflns_used    300
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      0.7444
_cell_measurement_theta_min      0.4695
_cell_volume                     9356.9(13)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1387
_diffrn_reflns_av_unetI/netI     0.0722
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            189088
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         73.027
_diffrn_reflns_theta_min         2.760
_exptl_absorpt_coefficient_mu    26.849
_exptl_absorpt_correction_T_max  0.1713
_exptl_absorpt_correction_T_min  0.0462
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1452 before and 0.0970 after correction. The Ratio of minimum to maximum transmission is 0.2697. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_description       block
_exptl_crystal_F_000             4792
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.555
_refine_diff_density_min         -1.918
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     943
_refine_ls_number_reflns         18536
_refine_ls_number_restraints     892
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.1060
_refine_ls_R_factor_gt           0.0751
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+208.6859P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1639
_refine_ls_wR_factor_ref         0.1845
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13412
_reflns_number_total             18536
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc05444a2.cif
_cod_data_source_block           db053_0m_a
_cod_database_code               7129443
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Aromatic/amide H refined with riding coordinates:
 C61(H61), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C67(H67),
 C68(H68), C69(H69), C70(H70), C71(H71), C72(H72)
3.b X=CH2 refined with riding coordinates:
 C10(H10A,H10B), C43(H43A,H43B)
3.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C7(H7A,
 H7B,H7C), C8(H8A,H8B,H8C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,
 H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C),
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,
 H28B,H28C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,
 H39C), C40(H40A,H40B,H40C), C42(H42A,H42B,H42C), C44(H44A,H44B,H44C), C46(H46A,
 H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C50(H50A,H50B,H50C),
 C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C54(H54A,H54B,H54C), C55(H55A,H55B,
 H55C), C56(H56A,H56B,H56C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C60(H60A,
 H60B,H60C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'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_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.88865(3) 0.25094(3) 0.44377(2) 0.04913(14) Uani 1 1 d . U . . .
U2 U 0.36712(3) 0.25069(2) 0.30097(2) 0.04140(12) Uani 1 1 d . U . . .
Dy1 Dy 0.75072(5) 0.10399(5) 0.42457(3) 0.0471(2) Uani 1 1 d . U . . .
Dy2 Dy 0.70688(5) 0.26860(5) 0.47897(2) 0.0448(2) Uani 1 1 d . U . . .
Dy3 Dy 0.50705(5) 0.39444(5) 0.32276(2) 0.0443(2) Uani 1 1 d . U . . .
Dy4 Dy 0.55084(5) 0.22957(5) 0.26786(2) 0.0449(2) Uani 1 1 d . U . . .
O1 O 0.9896(6) 0.2489(7) 0.4743(4) 0.067(3) Uani 1 1 d . U . . .
O2 O 0.7766(6) 0.2462(5) 0.4185(3) 0.046(2) Uani 1 1 d . U . . .
O3 O 0.9286(6) 0.3160(6) 0.3970(3) 0.060(3) Uani 1 1 d . U . . .
O4 O 0.8852(6) 0.1321(6) 0.4143(3) 0.053(2) Uani 1 1 d . U . . .
O5 O 0.8319(6) 0.3356(6) 0.4835(3) 0.054(2) Uani 1 1 d . U . . .
O6 O 0.8159(5) 0.1742(5) 0.4865(3) 0.0450(19) Uani 1 1 d . U . . .
O7 O 0.7435(6) -0.0057(5) 0.4447(3) 0.055(2) Uani 1 1 d . U . . .
O8 O 0.6666(7) 0.2708(6) 0.5355(3) 0.057(2) Uani 1 1 d . U . . .
O9 O 0.6460(5) 0.1665(5) 0.4462(3) 0.0443(19) Uani 1 1 d . U . . .
O10 O 0.6344(6) 0.3621(5) 0.4441(3) 0.053(2) Uani 1 1 d . U . . .
O11 O 0.5441(6) 0.4071(6) 0.3920(3) 0.051(2) Uani 1 1 d . U . . .
O12 O 0.7106(6) 0.0901(6) 0.3561(3) 0.055(2) Uani 1 1 d . U . . .
O13 O 0.6231(6) 0.1382(5) 0.3034(3) 0.052(2) Uani 1 1 d . U . . .
O14 O 0.2675(6) 0.2543(5) 0.2689(3) 0.045(2) Uani 1 1 d . U . . .
O15 O 0.4779(6) 0.2547(5) 0.3276(3) 0.0412(18) Uani 1 1 d . U . . .
O16 O 0.3245(6) 0.1849(5) 0.3474(3) 0.050(2) Uani 1 1 d . U . . .
O17 O 0.4252(6) 0.1661(5) 0.2608(3) 0.045(2) Uani 1 1 d . U . . .
O18 O 0.3704(5) 0.3681(5) 0.3307(3) 0.0453(19) Uani 1 1 d . U . . .
O19 O 0.4426(5) 0.3284(5) 0.2590(3) 0.0400(18) Uani 1 1 d . U . . .
O20 O 0.5885(7) 0.2223(7) 0.2110(3) 0.060(3) Uani 1 1 d . U . . .
O21 O 0.5171(6) 0.5052(5) 0.3040(3) 0.053(2) Uani 1 1 d . U . . .
O22 O 0.6116(5) 0.3323(5) 0.3012(3) 0.047(2) Uani 1 1 d . U . . .
C1 C 0.9926(9) 0.3560(10) 0.3804(6) 0.064(4) Uani 1 1 d . U . . .
C2 C 1.0663(10) 0.3649(12) 0.4132(6) 0.080(5) Uani 1 1 d . U . . .
H2A H 1.082732 0.315351 0.425378 0.120 Uiso 1 1 calc GR . . . .
H2B H 1.053387 0.398744 0.435129 0.120 Uiso 1 1 calc GR . . . .
H2C H 1.111365 0.386371 0.400855 0.120 Uiso 1 1 calc GR . . . .
C3 C 0.9565(12) 0.4326(12) 0.3646(8) 0.097(7) Uani 1 1 d . U . . .
H3A H 0.994462 0.458158 0.349022 0.145 Uiso 1 1 calc GR . . . .
H3B H 0.948164 0.463871 0.388435 0.145 Uiso 1 1 calc GR . . . .
H3C H 0.903768 0.424615 0.346255 0.145 Uiso 1 1 calc GR . . . .
C4 C 1.0133(11) 0.3089(13) 0.3435(6) 0.081(5) Uani 1 1 d . U . . .
H4A H 0.965109 0.306518 0.321358 0.121 Uiso 1 1 calc GR . . . .
H4B H 1.029031 0.257633 0.353081 0.121 Uiso 1 1 calc GR . . . .
H4C H 1.058915 0.332694 0.332530 0.121 Uiso 1 1 calc GR . . . .
C5 C 0.9355(7) 0.0865(8) 0.3921(4) 0.042(3) Uani 1 1 d . U . . .
C6 C 0.9139(10) 0.0045(9) 0.3951(5) 0.062(4) Uani 1 1 d . U . . .
H6A H 0.856912 -0.003569 0.381590 0.094 Uiso 1 1 calc GR . . . .
H6B H 0.919993 -0.010211 0.424546 0.094 Uiso 1 1 calc GR . . . .
H6C H 0.950510 -0.026235 0.381122 0.094 Uiso 1 1 calc GR . . . .
C7 C 1.0259(8) 0.1006(10) 0.4130(5) 0.062(4) Uani 1 1 d . U . . .
H7A H 1.062285 0.066807 0.400672 0.092 Uiso 1 1 calc GR . . . .
H7B H 1.031690 0.090705 0.443052 0.092 Uiso 1 1 calc GR . . . .
H7C H 1.040692 0.153292 0.408511 0.092 Uiso 1 1 calc GR . . . .
C8 C 0.9226(10) 0.1138(11) 0.3463(5) 0.066(4) Uani 1 1 d . U . . .
H8A H 0.960543 0.087006 0.331212 0.099 Uiso 1 1 calc GR . . . .
H8B H 0.933104 0.168293 0.345612 0.099 Uiso 1 1 calc GR . . . .
H8C H 0.865972 0.103448 0.333024 0.099 Uiso 1 1 calc GR . . . .
C9 C 0.8549(9) 0.4080(8) 0.5042(5) 0.056(3) Uani 1 1 d . U . . .
C10 C 0.7901(14) 0.4396(13) 0.5217(9) 0.121(9) Uani 1 1 d . U . . .
H10A H 0.738954 0.413967 0.519199 0.145 Uiso 1 1 calc R . . . .
H10B H 0.797472 0.486585 0.536082 0.145 Uiso 1 1 calc R . . . .
C11 C 0.9330(15) 0.3953(12) 0.5346(10) 0.148(11) Uani 1 1 d . U . . .
H11A H 0.974312 0.372754 0.519936 0.223 Uiso 1 1 calc GR . . . .
H11B H 0.922195 0.361049 0.556785 0.223 Uiso 1 1 calc GR . . . .
H11C H 0.953252 0.443737 0.546832 0.223 Uiso 1 1 calc GR . . . .
C12 C 0.875(2) 0.4592(13) 0.4716(9) 0.153(11) Uani 1 1 d . U . . .
H12A H 0.929224 0.445511 0.464903 0.229 Uiso 1 1 calc GR . . . .
H12B H 0.877071 0.511456 0.481790 0.229 Uiso 1 1 calc GR . . . .
H12C H 0.833688 0.454692 0.446494 0.229 Uiso 1 1 calc GR . . . .
C13 C 0.8497(8) 0.1346(8) 0.5251(4) 0.047(3) Uani 1 1 d . U . . .
C14 C 0.7800(10) 0.0937(9) 0.5408(5) 0.059(4) Uani 1 1 d . U . . .
H14A H 0.755525 0.056642 0.519918 0.088 Uiso 1 1 calc GR . . . .
H14B H 0.738113 0.130386 0.545637 0.088 Uiso 1 1 calc GR . . . .
H14C H 0.801233 0.067584 0.567007 0.088 Uiso 1 1 calc GR . . . .
C15 C 0.8865(10) 0.1972(9) 0.5577(5) 0.059(4) Uani 1 1 d . U . . .
H15A H 0.933538 0.221371 0.548271 0.089 Uiso 1 1 calc GR . . . .
H15B H 0.904382 0.173642 0.585021 0.089 Uiso 1 1 calc GR . . . .
H15C H 0.844420 0.235262 0.559987 0.089 Uiso 1 1 calc GR . . . .
C16 C 0.9166(10) 0.0821(9) 0.5173(5) 0.063(4) Uani 1 1 d . U . . .
H16A H 0.896728 0.050440 0.492984 0.095 Uiso 1 1 calc GR . . . .
H16B H 0.932821 0.049901 0.541877 0.095 Uiso 1 1 calc GR . . . .
H16C H 0.963954 0.111678 0.512075 0.095 Uiso 1 1 calc GR . . . .
C17 C 0.7390(8) -0.0860(8) 0.4543(5) 0.049(3) Uani 1 1 d . U . . .
C18 C 0.6605(11) -0.1013(12) 0.4722(7) 0.085(6) Uani 1 1 d . U . . .
H18A H 0.612600 -0.087942 0.451374 0.127 Uiso 1 1 calc GR . . . .
H18B H 0.660719 -0.070623 0.497371 0.127 Uiso 1 1 calc GR . . . .
H18C H 0.657888 -0.154963 0.479312 0.127 Uiso 1 1 calc GR . . . .
C19 C 0.8165(11) -0.1085(11) 0.4875(6) 0.077(5) Uani 1 1 d . U . . .
H19A H 0.866474 -0.099977 0.475644 0.116 Uiso 1 1 calc GR . . . .
H19B H 0.812864 -0.162002 0.494845 0.116 Uiso 1 1 calc GR . . . .
H19C H 0.818122 -0.077424 0.512631 0.116 Uiso 1 1 calc GR . . . .
C20 C 0.7404(12) -0.1309(10) 0.4152(6) 0.077(5) Uani 1 1 d . U . . .
H20A H 0.700954 -0.109307 0.392329 0.115 Uiso 1 1 calc GR . . . .
H20B H 0.725493 -0.183504 0.419803 0.115 Uiso 1 1 calc GR . . . .
H20C H 0.795578 -0.129175 0.407957 0.115 Uiso 1 1 calc GR . . . .
C21 C 0.6289(10) 0.2864(9) 0.5710(4) 0.056(3) Uani 1 1 d . U . . .
C22 C 0.5637(14) 0.2258(12) 0.5745(7) 0.086(5) Uani 1 1 d . U . . .
H22A H 0.521944 0.226533 0.549237 0.129 Uiso 1 1 calc GR . . . .
H22B H 0.537860 0.236247 0.598924 0.129 Uiso 1 1 calc GR . . . .
H22C H 0.589844 0.175861 0.577513 0.129 Uiso 1 1 calc GR . . . .
C23 C 0.6956(14) 0.2883(13) 0.6104(6) 0.092(6) Uani 1 1 d . U . . .
H23A H 0.720881 0.238152 0.614984 0.137 Uiso 1 1 calc GR . . . .
H23B H 0.670680 0.302317 0.634664 0.137 Uiso 1 1 calc GR . . . .
H23C H 0.737698 0.325486 0.606616 0.137 Uiso 1 1 calc GR . . . .
C24 C 0.5869(11) 0.3660(10) 0.5647(5) 0.070(4) Uani 1 1 d . U . . .
H24A H 0.628389 0.404385 0.561839 0.104 Uiso 1 1 calc GR . . . .
H24B H 0.561022 0.378001 0.588970 0.104 Uiso 1 1 calc GR . . . .
H24C H 0.545161 0.365377 0.539483 0.104 Uiso 1 1 calc GR . . . .
C25 C 0.5622(8) 0.1415(8) 0.4414(5) 0.047(3) Uani 1 1 d . U . . .
C26 C 0.5485(10) 0.0927(9) 0.4777(5) 0.061(4) Uani 1 1 d . U . . .
H26A H 0.489491 0.085796 0.477031 0.092 Uiso 1 1 calc GR . . . .
H26B H 0.572665 0.117296 0.503917 0.092 Uiso 1 1 calc GR . . . .
H26C H 0.574533 0.043329 0.475696 0.092 Uiso 1 1 calc GR . . . .
C27 C 0.5071(9) 0.2141(9) 0.4384(5) 0.057(4) Uani 1 1 d . U . . .
H27A H 0.517993 0.245611 0.415148 0.085 Uiso 1 1 calc GR . . . .
H27B H 0.519691 0.242763 0.464535 0.085 Uiso 1 1 calc GR . . . .
H27C H 0.449147 0.199253 0.433755 0.085 Uiso 1 1 calc GR . . . .
C28 C 0.5413(9) 0.0999(9) 0.3994(5) 0.057(3) Uani 1 1 d . U . . .
H28A H 0.482278 0.089642 0.393379 0.086 Uiso 1 1 calc GR . . . .
H28B H 0.571656 0.052116 0.400777 0.086 Uiso 1 1 calc GR . . . .
H28C H 0.556791 0.131585 0.377144 0.086 Uiso 1 1 calc GR . . . .
C29 C 0.5794(9) 0.4072(8) 0.4285(4) 0.049(3) Uani 1 1 d . U . . .
C30 C 0.5542(15) 0.4662(15) 0.4575(7) 0.131(12) Uani 1 1 d . U . . .
H30A H 0.603041 0.492948 0.471578 0.197 Uiso 1 1 calc GR . . . .
H30B H 0.526700 0.441510 0.478395 0.197 Uiso 1 1 calc GR . . . .
H30C H 0.516602 0.502327 0.441399 0.197 Uiso 1 1 calc GR . . . .
C31 C 0.6766(8) 0.0891(7) 0.3176(4) 0.043(3) Uani 1 1 d . U . . .
C32 C 0.7016(11) 0.0297(9) 0.2905(5) 0.067(4) Uani 1 1 d . U . . .
H32A H 0.652631 0.005941 0.274482 0.101 Uiso 1 1 calc GR . . . .
H32B H 0.734251 -0.008507 0.307675 0.101 Uiso 1 1 calc GR . . . .
H32C H 0.734508 0.052241 0.271172 0.101 Uiso 1 1 calc GR . . . .
C33 C 0.2627(9) 0.1467(10) 0.3645(5) 0.058(3) Uani 1 1 d . U . . .
C34 C 0.1840(10) 0.1415(11) 0.3308(5) 0.068(4) Uani 1 1 d . U . . .
H34A H 0.194965 0.109722 0.307663 0.101 Uiso 1 1 calc GR . . . .
H34B H 0.168041 0.192255 0.320426 0.101 Uiso 1 1 calc GR . . . .
H34C H 0.139389 0.119159 0.343243 0.101 Uiso 1 1 calc GR . . . .
C35 C 0.2433(10) 0.1898(11) 0.4020(5) 0.067(4) Uani 1 1 d . U . . .
H35A H 0.224255 0.240787 0.393304 0.101 Uiso 1 1 calc GR . . . .
H35B H 0.292908 0.193410 0.423146 0.101 Uiso 1 1 calc GR . . . .
H35C H 0.200369 0.163221 0.413658 0.101 Uiso 1 1 calc GR . . . .
C36 C 0.2946(12) 0.0676(10) 0.3772(6) 0.075(5) Uani 1 1 d . U . . .
H36A H 0.307394 0.040808 0.352642 0.113 Uiso 1 1 calc GR . . . .
H36B H 0.252635 0.039485 0.388889 0.113 Uiso 1 1 calc GR . . . .
H36C H 0.344397 0.071639 0.398231 0.113 Uiso 1 1 calc GR . . . .
C37 C 0.3997(9) 0.0944(7) 0.2397(5) 0.047(3) Uani 1 1 d . U . . .
C38 C 0.3742(13) 0.1123(10) 0.1931(5) 0.078(5) Uani 1 1 d . U . . .
H38A H 0.422112 0.129773 0.181635 0.117 Uiso 1 1 calc GR . . . .
H38B H 0.332192 0.152018 0.189693 0.117 Uiso 1 1 calc GR . . . .
H38C H 0.351894 0.066671 0.178283 0.117 Uiso 1 1 calc GR . . . .
C39 C 0.3279(11) 0.0647(10) 0.2575(6) 0.077(5) Uani 1 1 d . U . . .
H39A H 0.307627 0.018306 0.242826 0.115 Uiso 1 1 calc GR . . . .
H39B H 0.284158 0.102732 0.254122 0.115 Uiso 1 1 calc GR . . . .
H39C H 0.345088 0.053747 0.287270 0.115 Uiso 1 1 calc GR . . . .
C40 C 0.4703(11) 0.0415(9) 0.2445(6) 0.072(4) Uani 1 1 d . U . . .
H40A H 0.454902 -0.004059 0.227771 0.108 Uiso 1 1 calc GR . . . .
H40B H 0.485672 0.027458 0.273919 0.108 Uiso 1 1 calc GR . . . .
H40C H 0.516935 0.066033 0.234851 0.108 Uiso 1 1 calc GR . . . .
C41 C 0.3172(8) 0.4127(8) 0.3530(4) 0.043(3) Uani 1 1 d . U . . .
C42 C 0.3340(9) 0.4946(8) 0.3457(5) 0.059(4) Uani 1 1 d . U . . .
H42A H 0.333628 0.503122 0.315900 0.088 Uiso 1 1 calc GR . . . .
H42B H 0.387880 0.508281 0.361489 0.088 Uiso 1 1 calc GR . . . .
H42C H 0.291577 0.525765 0.355117 0.088 Uiso 1 1 calc GR . . . .
C43 C 0.3329(10) 0.3911(10) 0.3973(5) 0.063(4) Uani 1 1 d . U . . .
H43A H 0.372616 0.353423 0.406802 0.075 Uiso 1 1 calc R . . . .
H43B H 0.303234 0.414744 0.416423 0.075 Uiso 1 1 calc R . . . .
C44 C 0.2276(8) 0.3955(9) 0.3318(5) 0.054(3) Uani 1 1 d . U . . .
H44A H 0.219729 0.411917 0.302579 0.081 Uiso 1 1 calc GR . . . .
H44B H 0.189280 0.422655 0.346473 0.081 Uiso 1 1 calc GR . . . .
H44C H 0.217341 0.340986 0.332958 0.081 Uiso 1 1 calc GR . . . .
C45 C 0.4120(9) 0.3696(9) 0.2204(4) 0.051(3) Uani 1 1 d . U . . .
C46 C 0.3482(9) 0.4258(8) 0.2292(4) 0.050(3) Uani 1 1 d . U . . .
H46A H 0.324338 0.451360 0.203201 0.076 Uiso 1 1 calc GR . . . .
H46B H 0.373937 0.463352 0.249441 0.076 Uiso 1 1 calc GR . . . .
H46C H 0.304809 0.399283 0.240633 0.076 Uiso 1 1 calc GR . . . .
C47 C 0.4841(9) 0.4084(9) 0.2060(4) 0.056(3) Uani 1 1 d . U . . .
H47A H 0.526561 0.370978 0.203272 0.084 Uiso 1 1 calc GR . . . .
H47B H 0.506635 0.446815 0.226546 0.084 Uiso 1 1 calc GR . . . .
H47C H 0.465704 0.432688 0.178941 0.084 Uiso 1 1 calc GR . . . .
C48 C 0.3735(10) 0.3126(9) 0.1877(5) 0.056(3) Uani 1 1 d . U . . .
H48A H 0.347970 0.339485 0.162430 0.084 Uiso 1 1 calc GR . . . .
H48B H 0.331696 0.283076 0.198705 0.084 Uiso 1 1 calc GR . . . .
H48C H 0.416084 0.278501 0.180784 0.084 Uiso 1 1 calc GR . . . .
C49 C 0.6258(10) 0.2104(9) 0.1739(4) 0.056(3) Uani 1 1 d . U . . .
C50 C 0.7072(13) 0.2502(13) 0.1781(6) 0.090(6) Uani 1 1 d . U . . .
H50A H 0.736631 0.232964 0.156038 0.135 Uiso 1 1 calc GR . . . .
H50B H 0.739878 0.238664 0.205464 0.135 Uiso 1 1 calc GR . . . .
H50C H 0.698273 0.304925 0.175643 0.135 Uiso 1 1 calc GR . . . .
C51 C 0.6397(17) 0.1239(12) 0.1706(7) 0.105(7) Uani 1 1 d . U . . .
H51A H 0.661042 0.112946 0.144857 0.158 Uiso 1 1 calc GR . . . .
H51B H 0.587538 0.097359 0.170175 0.158 Uiso 1 1 calc GR . . . .
H51C H 0.679328 0.106954 0.194714 0.158 Uiso 1 1 calc GR . . . .
C52 C 0.5661(13) 0.2389(14) 0.1354(6) 0.094(7) Uani 1 1 d . U . . .
H52A H 0.595658 0.245049 0.111904 0.141 Uiso 1 1 calc GR . . . .
H52B H 0.542871 0.287621 0.141909 0.141 Uiso 1 1 calc GR . . . .
H52C H 0.521684 0.202066 0.128051 0.141 Uiso 1 1 calc GR . . . .
C53 C 0.5264(9) 0.5849(8) 0.2955(4) 0.045(3) Uani 1 1 d . U . . .
C54 C 0.5255(15) 0.6285(13) 0.3353(6) 0.098(7) Uani 1 1 d . U . . .
H54A H 0.578128 0.621891 0.353961 0.147 Uiso 1 1 calc GR . . . .
H54B H 0.481041 0.609687 0.349121 0.147 Uiso 1 1 calc GR . . . .
H54C H 0.516719 0.682320 0.328831 0.147 Uiso 1 1 calc GR . . . .
C55 C 0.4551(12) 0.6090(10) 0.2612(6) 0.079(5) Uani 1 1 d . U . . .
H55A H 0.462296 0.662058 0.253811 0.119 Uiso 1 1 calc GR . . . .
H55B H 0.403016 0.603233 0.271532 0.119 Uiso 1 1 calc GR . . . .
H55C H 0.454690 0.577180 0.236491 0.119 Uiso 1 1 calc GR . . . .
C56 C 0.6081(11) 0.5947(11) 0.2802(6) 0.077(5) Uani 1 1 d . U . . .
H56A H 0.605686 0.569345 0.253214 0.115 Uiso 1 1 calc GR . . . .
H56B H 0.652117 0.572288 0.300551 0.115 Uiso 1 1 calc GR . . . .
H56C H 0.619112 0.648651 0.277122 0.115 Uiso 1 1 calc GR . . . .
C57 C 0.6979(8) 0.3546(8) 0.3076(5) 0.053(3) Uani 1 1 d . U . . .
C58 C 0.7145(9) 0.3989(10) 0.3495(5) 0.060(4) Uani 1 1 d . U . . .
H58A H 0.772560 0.413084 0.355707 0.090 Uiso 1 1 calc GR . . . .
H58B H 0.700772 0.366983 0.371991 0.090 Uiso 1 1 calc GR . . . .
H58C H 0.680532 0.444681 0.347132 0.090 Uiso 1 1 calc GR . . . .
C59 C 0.7496(9) 0.2803(10) 0.3118(5) 0.060(4) Uani 1 1 d . U . . .
H59A H 0.735361 0.250191 0.286323 0.090 Uiso 1 1 calc GR . . . .
H59B H 0.737760 0.251171 0.335784 0.090 Uiso 1 1 calc GR . . . .
H59C H 0.808130 0.292991 0.316007 0.090 Uiso 1 1 calc GR . . . .
C60 C 0.7134(11) 0.4001(10) 0.2703(5) 0.069(4) Uani 1 1 d . U . . .
H60A H 0.693743 0.371666 0.244635 0.103 Uiso 1 1 calc GR . . . .
H60B H 0.772328 0.409624 0.272446 0.103 Uiso 1 1 calc GR . . . .
H60C H 0.684020 0.448342 0.269528 0.103 Uiso 1 1 calc GR . . . .
C61 C 0.450(2) 0.9041(18) 0.3364(10) 0.135(9) Uani 1 1 d . U . . .
H61 H 0.428587 0.929097 0.358040 0.162 Uiso 1 1 calc R . . . .
C62 C 0.5283(19) 0.9071(15) 0.3360(10) 0.126(9) Uani 1 1 d . U . . .
H62 H 0.562573 0.939013 0.355002 0.151 Uiso 1 1 calc R . . . .
C63 C 0.5610(16) 0.8638(13) 0.3080(8) 0.105(7) Uani 1 1 d . U . . .
H63 H 0.618989 0.858527 0.311572 0.127 Uiso 1 1 calc R . . . .
C64 C 0.5149(19) 0.8280(13) 0.2755(8) 0.116(8) Uani 1 1 d . U . . .
H64 H 0.538920 0.804130 0.254308 0.139 Uiso 1 1 calc R . . . .
C65 C 0.427(2) 0.8280(14) 0.2746(10) 0.132(9) Uani 1 1 d . U . . .
H65 H 0.391306 0.802888 0.252747 0.158 Uiso 1 1 calc R . . . .
C66 C 0.395(2) 0.864(2) 0.3050(13) 0.152(11) Uani 1 1 d . U . . .
H66 H 0.338113 0.862760 0.305577 0.182 Uiso 1 1 calc R . . . .
C67 C 0.6732(13) 0.6733(13) 0.4866(7) 0.088(5) Uani 1 1 d . U . . .
H67 H 0.629526 0.684989 0.501203 0.105 Uiso 1 1 calc R . . . .
C68 C 0.6589(15) 0.6478(19) 0.4461(7) 0.124(10) Uani 1 1 d . U . . .
H68 H 0.604096 0.636196 0.433726 0.148 Uiso 1 1 calc R . . . .
C69 C 0.7196(14) 0.6384(14) 0.4227(7) 0.096(6) Uani 1 1 d . U . . .
H69 H 0.707011 0.627332 0.393741 0.115 Uiso 1 1 calc R . . . .
C70 C 0.7989(13) 0.6453(14) 0.4424(6) 0.090(6) Uani 1 1 d . U . . .
H70 H 0.842707 0.633542 0.427927 0.108 Uiso 1 1 calc R . . . .
C71 C 0.8154(12) 0.6693(11) 0.4834(6) 0.075(4) Uani 1 1 d . U . . .
H71 H 0.870407 0.677839 0.496555 0.090 Uiso 1 1 calc R . . . .
C72 C 0.7526(12) 0.6808(10) 0.5047(6) 0.073(4) Uani 1 1 d . U . . .
H72 H 0.764785 0.694515 0.533333 0.088 Uiso 1 1 calc R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -4.3638 13.4090 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 U1 O2 171.5(4) . . ?
O1 U1 O3 92.0(5) . . ?
O1 U1 O4 99.6(5) . . ?
O1 U1 O5 97.7(5) . . ?
O1 U1 O6 100.3(4) . . ?
O2 U1 O3 96.5(4) . . ?
O2 U1 O4 79.9(4) . . ?
O2 U1 O5 79.1(4) . . ?
O2 U1 O6 71.3(3) . . ?
O3 U1 O4 100.8(4) . . ?
O3 U1 O5 105.0(4) . . ?
O3 U1 O6 167.6(4) . . ?
O4 U1 O6 75.3(3) . . ?
O5 U1 O4 148.2(3) . . ?
O5 U1 O6 75.6(3) . . ?
O14 U2 O15 170.9(4) . . ?
O14 U2 O16 92.9(4) . . ?
O14 U2 O17 97.1(4) . . ?
O14 U2 O18 99.6(4) . . ?
O14 U2 O19 99.3(3) . . ?
O15 U2 O16 96.2(4) . . ?
O15 U2 O17 79.6(3) . . ?
O15 U2 O18 79.7(3) . . ?
O15 U2 O19 71.7(3) . . ?
O16 U2 O17 105.5(3) . . ?
O16 U2 O18 100.7(3) . . ?
O16 U2 O19 167.6(3) . . ?
O17 U2 O19 75.3(3) . . ?
O18 U2 O17 148.0(3) . . ?
O18 U2 O19 75.2(3) . . ?
O4 Dy1 O2 67.0(3) . . ?
O4 Dy1 O6 73.4(3) . . ?
O6 Dy1 O2 60.7(3) . . ?
O7 Dy1 O2 165.6(4) . . ?
O7 Dy1 O4 110.5(4) . . ?
O7 Dy1 O6 104.9(4) . . ?
O7 Dy1 O9 106.0(4) . . ?
O7 Dy1 O12 101.0(4) . . ?
O9 Dy1 O2 72.0(3) . . ?
O9 Dy1 O4 136.9(3) . . ?
O9 Dy1 O6 75.6(3) . . ?
O12 Dy1 O2 93.2(3) . . ?
O12 Dy1 O4 90.7(3) . . ?
O12 Dy1 O6 153.1(3) . . ?
O12 Dy1 O9 104.4(3) . . ?
O5 Dy2 O2 67.1(3) . . ?
O5 Dy2 O6 73.4(3) . . ?
O6 Dy2 O2 62.3(3) . . ?
O8 Dy2 O2 167.8(4) . . ?
O8 Dy2 O5 110.2(4) . . ?
O8 Dy2 O6 105.5(4) . . ?
O8 Dy2 O9 104.6(4) . . ?
O8 Dy2 O10 102.3(4) . . ?
O9 Dy2 O2 74.0(3) . . ?
O9 Dy2 O5 138.5(3) . . ?
O9 Dy2 O6 76.3(3) . . ?
O10 Dy2 O2 89.9(3) . . ?
O10 Dy2 O5 92.8(4) . . ?
O10 Dy2 O6 151.9(3) . . ?
O10 Dy2 O9 101.2(3) . . ?
O11 Dy3 O15 93.4(3) . . ?
O11 Dy3 O18 90.9(3) . . ?
O11 Dy3 O19 154.1(3) . . ?
O11 Dy3 O22 105.3(3) . . ?
O18 Dy3 O15 66.8(3) . . ?
O18 Dy3 O19 73.2(3) . . ?
O19 Dy3 O15 61.8(3) . . ?
O21 Dy3 O11 100.4(4) . . ?
O21 Dy3 O15 166.0(3) . . ?
O21 Dy3 O18 110.1(4) . . ?
O21 Dy3 O19 104.3(3) . . ?
O21 Dy3 O22 105.5(4) . . ?
O22 Dy3 O15 72.9(3) . . ?
O22 Dy3 O18 137.2(3) . . ?
O22 Dy3 O19 75.8(3) . . ?
O13 Dy4 O15 90.7(3) . . ?
O13 Dy4 O17 95.4(3) . . ?
O13 Dy4 O19 152.7(3) . . ?
O13 Dy4 O22 100.3(4) . . ?
O17 Dy4 O15 67.9(3) . . ?
O17 Dy4 O19 73.5(3) . . ?
O19 Dy4 O15 62.0(3) . . ?
O20 Dy4 O13 101.9(4) . . ?
O20 Dy4 O15 166.7(4) . . ?
O20 Dy4 O17 106.3(4) . . ?
O20 Dy4 O19 105.1(4) . . ?
O20 Dy4 O22 107.7(4) . . ?
O22 Dy4 O15 73.6(3) . . ?
O22 Dy4 O17 138.5(3) . . ?
O22 Dy4 O19 75.1(3) . . ?
U1 O2 Dy1 100.0(4) . . ?
U1 O2 Dy2 101.5(4) . . ?
Dy2 O2 Dy1 89.4(3) . . ?
C1 O3 U1 151.1(10) . . ?
U1 O4 Dy1 95.3(3) . . ?
C5 O4 U1 138.1(8) . . ?
C5 O4 Dy1 126.3(8) . . ?
U1 O5 Dy2 94.2(3) . . ?
C9 O5 U1 137.2(8) . . ?
C9 O5 Dy2 128.5(8) . . ?
U1 O6 Dy1 90.3(3) . . ?
U1 O6 Dy2 89.3(3) . . ?
Dy2 O6 Dy1 92.7(3) . . ?
C13 O6 U1 127.6(8) . . ?
C13 O6 Dy1 120.8(8) . . ?
C13 O6 Dy2 125.8(8) . . ?
C17 O7 Dy1 173.7(9) . . ?
C21 O8 Dy2 167.5(9) . . ?
Dy2 O9 Dy1 103.6(3) . . ?
C25 O9 Dy1 126.1(7) . . ?
C25 O9 Dy2 130.2(7) . . ?
C29 O10 Dy2 165.6(10) . . ?
C29 O11 Dy3 166.6(10) . . ?
C31 O12 Dy1 170.0(9) . . ?
C31 O13 Dy4 165.9(9) . . ?
U2 O15 Dy3 100.8(3) . . ?
U2 O15 Dy4 101.3(3) . . ?
Dy4 O15 Dy3 90.3(3) . . ?
C33 O16 U2 153.0(9) . . ?
U2 O17 Dy4 94.6(3) . . ?
C37 O17 U2 135.5(8) . . ?
C37 O17 Dy4 129.8(8) . . ?
U2 O18 Dy3 95.1(3) . . ?
C41 O18 U2 136.5(8) . . ?
C41 O18 Dy3 127.9(8) . . ?
U2 O19 Dy3 89.3(3) . . ?
U2 O19 Dy4 88.0(3) . . ?
Dy3 O19 Dy4 92.0(3) . . ?
C45 O19 U2 128.8(8) . . ?
C45 O19 Dy3 121.6(8) . . ?
C45 O19 Dy4 126.0(8) . . ?
C49 O20 Dy4 171.2(9) . . ?
C53 O21 Dy3 173.9(8) . . ?
Dy3 O22 Dy4 103.8(4) . . ?
C57 O22 Dy3 127.2(8) . . ?
C57 O22 Dy4 129.0(8) . . ?
O3 C1 C2 110.1(14) . . ?
O3 C1 C3 106.8(13) . . ?
O3 C1 C4 107.2(14) . . ?
C2 C1 C3 111.9(17) . . ?
C2 C1 C4 110.6(15) . . ?
C3 C1 C4 110.0(17) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O4 C5 C6 110.2(11) . . ?
O4 C5 C7 106.5(11) . . ?
O4 C5 C8 108.1(11) . . ?
C6 C5 C7 110.4(12) . . ?
C6 C5 C8 111.7(13) . . ?
C8 C5 C7 109.8(11) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O5 C9 C11 107.5(13) . . ?
O5 C9 C12 106.2(15) . . ?
C10 C9 O5 112.0(13) . . ?
C10 C9 C11 115(2) . . ?
C10 C9 C12 109(2) . . ?
C12 C9 C11 107(2) . . ?
C9 C10 H10A 120.0 . . ?
C9 C10 H10B 120.0 . . ?
H10A C10 H10B 120.0 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O6 C13 C14 108.3(11) . . ?
O6 C13 C15 106.7(11) . . ?
O6 C13 C16 109.9(11) . . ?
C14 C13 C15 109.7(12) . . ?
C16 C13 C14 112.6(13) . . ?
C16 C13 C15 109.5(13) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O7 C17 C18 109.3(12) . . ?
O7 C17 C19 109.0(12) . . ?
O7 C17 C20 109.0(12) . . ?
C18 C17 C19 109.8(14) . . ?
C20 C17 C18 111.2(15) . . ?
C20 C17 C19 108.6(14) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O8 C21 C22 109.3(13) . . ?
O8 C21 C23 109.0(14) . . ?
O8 C21 C24 108.2(12) . . ?
C22 C21 C23 111.5(16) . . ?
C22 C21 C24 109.6(15) . . ?
C23 C21 C24 109.1(15) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O9 C25 C26 111.1(12) . . ?
O9 C25 C27 107.1(11) . . ?
O9 C25 C28 108.2(11) . . ?
C26 C25 C27 110.8(12) . . ?
C26 C25 C28 112.3(13) . . ?
C28 C25 C27 107.1(12) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O10 C29 C30 116.3(14) . . ?
O11 C29 O10 125.8(13) . . ?
O11 C29 C30 117.8(14) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O12 C31 C32 118.2(13) . . ?
O13 C31 O12 120.6(12) . . ?
O13 C31 C32 121.2(13) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O16 C33 C34 109.1(12) . . ?
O16 C33 C35 109.8(13) . . ?
O16 C33 C36 107.7(13) . . ?
C35 C33 C34 109.3(14) . . ?
C35 C33 C36 110.7(14) . . ?
C36 C33 C34 110.3(14) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O17 C37 C38 107.0(11) . . ?
O17 C37 C39 107.7(11) . . ?
O17 C37 C40 109.7(12) . . ?
C39 C37 C38 110.4(14) . . ?
C40 C37 C38 108.4(14) . . ?
C40 C37 C39 113.4(14) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O18 C41 C42 107.5(11) . . ?
O18 C41 C43 108.8(11) . . ?
O18 C41 C44 106.4(11) . . ?
C42 C41 C44 107.9(12) . . ?
C43 C41 C42 113.4(13) . . ?
C43 C41 C44 112.5(12) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 120.0 . . ?
C41 C43 H43B 120.0 . . ?
H43A C43 H43B 120.0 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O19 C45 C46 108.6(11) . . ?
O19 C45 C47 108.2(11) . . ?
O19 C45 C48 108.2(12) . . ?
C46 C45 C47 111.6(13) . . ?
C46 C45 C48 110.1(12) . . ?
C47 C45 C48 110.0(12) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O20 C49 C50 110.7(13) . . ?
O20 C49 C51 106.7(13) . . ?
O20 C49 C52 108.7(12) . . ?
C50 C49 C51 109.0(16) . . ?
C50 C49 C52 111.3(16) . . ?
C52 C49 C51 110.3(17) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O21 C53 C54 108.5(13) . . ?
O21 C53 C55 108.3(12) . . ?
O21 C53 C56 107.4(12) . . ?
C54 C53 C55 111.3(15) . . ?
C54 C53 C56 110.9(15) . . ?
C56 C53 C55 110.2(14) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O22 C57 C58 106.6(11) . . ?
O22 C57 C59 107.0(11) . . ?
O22 C57 C60 108.7(13) . . ?
C58 C57 C59 109.5(13) . . ?
C60 C57 C58 113.9(13) . . ?
C60 C57 C59 110.7(13) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 H61 119.1 . . ?
C62 C61 C66 122(4) . . ?
C66 C61 H61 119.1 . . ?
C61 C62 H62 120.4 . . ?
C61 C62 C63 119(3) . . ?
C63 C62 H62 120.4 . . ?
C62 C63 H63 118.4 . . ?
C64 C63 C62 123(3) . . ?
C64 C63 H63 118.4 . . ?
C63 C64 H64 121.6 . . ?
C63 C64 C65 117(3) . . ?
C65 C64 H64 121.6 . . ?
C64 C65 H65 120.3 . . ?
C66 C65 C64 119(3) . . ?
C66 C65 H65 120.3 . . ?
C61 C66 H66 120.6 . . ?
C65 C66 C61 119(3) . . ?
C65 C66 H66 120.6 . . ?
C68 C67 H67 121.7 . . ?
C72 C67 H67 121.7 . . ?
C72 C67 C68 117(2) . . ?
C67 C68 H68 118.4 . . ?
C69 C68 C67 123(2) . . ?
C69 C68 H68 118.4 . . ?
C68 C69 H69 121.1 . . ?
C68 C69 C70 118(2) . . ?
C70 C69 H69 121.1 . . ?
C69 C70 H70 120.0 . . ?
C69 C70 C71 120(2) . . ?
C71 C70 H70 120.0 . . ?
C70 C71 H71 120.2 . . ?
C72 C71 C70 120(2) . . ?
C72 C71 H71 120.2 . . ?
C67 C72 H72 118.9 . . ?
C71 C72 C67 122.3(19) . . ?
C71 C72 H72 118.9 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U1 O1 1.793(10) . ?
U1 O2 1.898(9) . ?
U1 O3 2.099(10) . ?
U1 O4 2.306(10) . ?
U1 O5 2.278(10) . ?
U1 O6 2.403(9) . ?
U2 O14 1.796(9) . ?
U2 O15 1.891(9) . ?
U2 O16 2.116(9) . ?
U2 O17 2.298(9) . ?
U2 O18 2.287(9) . ?
U2 O19 2.422(8) . ?
Dy1 O2 2.564(9) . ?
Dy1 O4 2.355(10) . ?
Dy1 O6 2.455(9) . ?
Dy1 O7 2.056(10) . ?
Dy1 O9 2.261(9) . ?
Dy1 O12 2.225(9) . ?
Dy2 O2 2.471(9) . ?
Dy2 O5 2.365(9) . ?
Dy2 O6 2.438(8) . ?
Dy2 O8 2.056(10) . ?
Dy2 O9 2.246(9) . ?
Dy2 O10 2.236(9) . ?
Dy3 O11 2.241(9) . ?
Dy3 O15 2.528(8) . ?
Dy3 O18 2.362(9) . ?
Dy3 O19 2.459(9) . ?
Dy3 O21 2.066(10) . ?
Dy3 O22 2.255(9) . ?
Dy4 O13 2.215(9) . ?
Dy4 O15 2.488(8) . ?
Dy4 O17 2.338(9) . ?
Dy4 O19 2.482(8) . ?
Dy4 O20 2.048(10) . ?
Dy4 O22 2.263(9) . ?
O3 C1 1.449(18) . ?
O4 C5 1.436(15) . ?
O5 C9 1.466(16) . ?
O6 C13 1.462(15) . ?
O7 C17 1.458(16) . ?
O8 C21 1.425(16) . ?
O9 C25 1.437(15) . ?
O10 C29 1.250(16) . ?
O11 C29 1.229(16) . ?
O12 C31 1.284(16) . ?
O13 C31 1.269(16) . ?
O16 C33 1.413(16) . ?
O17 C37 1.469(14) . ?
O18 C41 1.459(14) . ?
O19 C45 1.465(15) . ?
O20 C49 1.457(16) . ?
O21 C53 1.449(16) . ?
O22 C57 1.460(16) . ?
C1 C2 1.49(2) . ?
C1 C3 1.53(2) . ?
C1 C4 1.54(3) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.50(2) . ?
C5 C7 1.555(18) . ?
C5 C8 1.544(19) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.41(2) . ?
C9 C11 1.50(3) . ?
C9 C12 1.48(3) . ?
C10 H10A 0.9500 . ?
C10 H10B 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.519(19) . ?
C13 C15 1.58(2) . ?
C13 C16 1.50(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.53(2) . ?
C17 C19 1.58(2) . ?
C17 C20 1.50(2) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.54(3) . ?
C21 C23 1.54(2) . ?
C21 C24 1.57(2) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.51(2) . ?
C25 C27 1.568(19) . ?
C25 C28 1.54(2) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.51(2) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.473(19) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.55(2) . ?
C33 C35 1.52(2) . ?
C33 C36 1.53(2) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.53(2) . ?
C37 C39 1.50(2) . ?
C37 C40 1.48(2) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.50(2) . ?
C41 C43 1.47(2) . ?
C41 C44 1.555(19) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9500 . ?
C43 H43B 0.9500 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.51(2) . ?
C45 C47 1.52(2) . ?
C45 C48 1.53(2) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.50(3) . ?
C49 C51 1.55(3) . ?
C49 C52 1.54(2) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.51(2) . ?
C53 C55 1.54(2) . ?
C53 C56 1.52(2) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.55(2) . ?
C57 C59 1.56(2) . ?
C57 C60 1.51(2) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61 0.9500 . ?
C61 C62 1.29(4) . ?
C61 C66 1.43(5) . ?
C62 H62 0.9500 . ?
C62 C63 1.37(3) . ?
C63 H63 0.9500 . ?
C63 C64 1.35(3) . ?
C64 H64 0.9500 . ?
C64 C65 1.45(4) . ?
C65 H65 0.9500 . ?
C65 C66 1.35(4) . ?
C66 H66 0.9500 . ?
C67 H67 0.9500 . ?
C67 C68 1.37(3) . ?
C67 C72 1.35(3) . ?
C68 H68 0.9500 . ?
C68 C69 1.36(3) . ?
C69 H69 0.9500 . ?
C69 C70 1.36(3) . ?
C70 H70 0.9500 . ?
C70 C71 1.38(3) . ?
C71 H71 0.9500 . ?
C71 C72 1.36(3) . ?
C72 H72 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
U1 O3 C1 C2 -12(3) . . . . ?
U1 O3 C1 C3 -133.9(19) . . . . ?
U1 O3 C1 C4 108(2) . . . . ?
U1 O4 C5 C6 159.2(10) . . . . ?
U1 O4 C5 C7 39.4(16) . . . . ?
U1 O4 C5 C8 -78.5(15) . . . . ?
U1 O5 C9 C10 174.2(15) . . . . ?
U1 O5 C9 C11 -59(2) . . . . ?
U1 O5 C9 C12 55(2) . . . . ?
U1 O6 C13 C14 180.0(9) . . . . ?
U1 O6 C13 C15 62.0(14) . . . . ?
U1 O6 C13 C16 -56.6(15) . . . . ?
U2 O16 C33 C34 11(3) . . . . ?
U2 O16 C33 C35 -108(2) . . . . ?
U2 O16 C33 C36 131.2(18) . . . . ?
U2 O17 C37 C38 102.5(14) . . . . ?
U2 O17 C37 C39 -16.2(18) . . . . ?
U2 O17 C37 C40 -140.1(11) . . . . ?
U2 O18 C41 C42 -152.9(10) . . . . ?
U2 O18 C41 C43 83.9(14) . . . . ?
U2 O18 C41 C44 -37.5(16) . . . . ?
U2 O19 C45 C46 59.7(14) . . . . ?
U2 O19 C45 C47 -179.0(8) . . . . ?
U2 O19 C45 C48 -59.8(14) . . . . ?
Dy1 O4 C5 C6 -29.5(15) . . . . ?
Dy1 O4 C5 C7 -149.3(9) . . . . ?
Dy1 O4 C5 C8 92.8(12) . . . . ?
Dy1 O6 C13 C14 -62.3(13) . . . . ?
Dy1 O6 C13 C15 179.7(8) . . . . ?
Dy1 O6 C13 C16 61.1(13) . . . . ?
Dy1 O9 C25 C26 88.0(13) . . . . ?
Dy1 O9 C25 C27 -151.0(9) . . . . ?
Dy1 O9 C25 C28 -35.8(15) . . . . ?
Dy1 O12 C31 O13 20(6) . . . . ?
Dy1 O12 C31 C32 -160(5) . . . . ?
Dy2 O5 C9 C10 -3(2) . . . . ?
Dy2 O5 C9 C11 124.6(17) . . . . ?
Dy2 O5 C9 C12 -121.5(18) . . . . ?
Dy2 O6 C13 C14 57.6(14) . . . . ?
Dy2 O6 C13 C15 -60.4(13) . . . . ?
Dy2 O6 C13 C16 -179.0(9) . . . . ?
Dy2 O8 C21 C22 109(5) . . . . ?
Dy2 O8 C21 C23 -129(4) . . . . ?
Dy2 O8 C21 C24 -11(5) . . . . ?
Dy2 O9 C25 C26 -87.6(13) . . . . ?
Dy2 O9 C25 C27 33.5(16) . . . . ?
Dy2 O9 C25 C28 148.7(9) . . . . ?
Dy2 O10 C29 O11 -104(4) . . . . ?
Dy2 O10 C29 C30 76(4) . . . . ?
Dy3 O11 C29 O10 -27(5) . . . . ?
Dy3 O11 C29 C30 154(4) . . . . ?
Dy3 O18 C41 C42 37.5(15) . . . . ?
Dy3 O18 C41 C43 -85.7(13) . . . . ?
Dy3 O18 C41 C44 152.9(9) . . . . ?
Dy3 O19 C45 C46 -58.6(13) . . . . ?
Dy3 O19 C45 C47 62.7(13) . . . . ?
Dy3 O19 C45 C48 -178.1(8) . . . . ?
Dy3 O22 C57 C58 30.4(16) . . . . ?
Dy3 O22 C57 C59 147.6(9) . . . . ?
Dy3 O22 C57 C60 -92.8(13) . . . . ?
Dy4 O13 C31 O12 123(3) . . . . ?
Dy4 O13 C31 C32 -57(4) . . . . ?
Dy4 O17 C37 C38 -82.5(14) . . . . ?
Dy4 O17 C37 C39 158.8(11) . . . . ?
Dy4 O17 C37 C40 34.9(16) . . . . ?
Dy4 O19 C45 C46 -178.5(8) . . . . ?
Dy4 O19 C45 C47 -57.1(14) . . . . ?
Dy4 O19 C45 C48 62.0(14) . . . . ?
Dy4 O22 C57 C58 -149.8(9) . . . . ?
Dy4 O22 C57 C59 -32.6(16) . . . . ?
Dy4 O22 C57 C60 87.0(14) . . . . ?
O3 U1 O2 Dy1 131.7(4) . . . . ?
O3 U1 O2 Dy2 -136.9(4) . . . . ?
O4 U1 O2 Dy1 31.8(3) . . . . ?
O4 U1 O2 Dy2 123.2(4) . . . . ?
O5 U1 O2 Dy1 -124.2(4) . . . . ?
O5 U1 O2 Dy2 -32.8(3) . . . . ?
O6 U1 O2 Dy1 -45.9(3) . . . . ?
O6 U1 O2 Dy2 45.5(3) . . . . ?
O16 U2 O15 Dy3 -131.8(3) . . . . ?
O16 U2 O15 Dy4 135.7(3) . . . . ?
O17 U2 O15 Dy3 123.5(3) . . . . ?
O17 U2 O15 Dy4 31.1(3) . . . . ?
O18 U2 O15 Dy3 -32.0(3) . . . . ?
O18 U2 O15 Dy4 -124.5(4) . . . . ?
O19 U2 O15 Dy3 45.7(3) . . . . ?
O19 U2 O15 Dy4 -46.8(3) . . . . ?
C61 C62 C63 C64 12(5) . . . . ?
C62 C61 C66 C65 1(5) . . . . ?
C62 C63 C64 C65 -9(4) . . . . ?
C63 C64 C65 C66 1(4) . . . . ?
C64 C65 C66 C61 3(4) . . . . ?
C66 C61 C62 C63 -8(5) . . . . ?
C67 C68 C69 C70 9(5) . . . . ?
C68 C67 C72 C71 5(3) . . . . ?
C68 C69 C70 C71 -7(4) . . . . ?
C69 C70 C71 C72 5(3) . . . . ?
C70 C71 C72 C67 -4(3) . . . . ?
C72 C67 C68 C69 -7(4) . . . . ?
