#------------------------------------------------------------------------------
#$Date: 2022-09-05 05:45:31 +0300 (Mon, 05 Sep 2022) $
#$Revision: 277623 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/06/7130669.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_7130669
loop_
_publ_author_name
'Buschmann, Dennis A.'
'Schumacher, Lion'
'Anwander, Reiner'
_publ_section_title
;
 Rare-earth-metal half-sandwich complexes incorporating methyl,
 methylidene, and hydrido ligands.
;
_journal_issue                   65
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              9132
_journal_page_last               9135
_journal_paper_doi               10.1039/d2cc03532d
_journal_volume                  58
_journal_year                    2022
_chemical_formula_sum            'C46 H81 Dy3 O3'
_chemical_formula_weight         1169.60
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-06-23 deposited with the CCDC.	2022-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                97.942(2)
_cell_angle_beta                 91.931(2)
_cell_angle_gamma                114.983(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3103(7)
_cell_length_b                   11.9001(7)
_cell_length_c                   21.1333(12)
_cell_measurement_reflns_used    1064
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.85
_cell_measurement_theta_min      2.354
_cell_volume                     2540.1(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'APEX3 v2017.3-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XT, VERSION 2014/5,SHELXS-13 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX II DUO'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0930
_diffrn_reflns_av_unetI/netI     0.0605
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            51818
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.634
_diffrn_reflns_theta_max         24.634
_diffrn_reflns_theta_min         1.915
_diffrn_source                   'ImuS-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.400
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_description       plate
_exptl_crystal_F_000             1158
_exptl_crystal_size_max          0.098
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.045
_exptl_transmission_factor_max   0.7451
_exptl_transmission_factor_min   0.5482
_refine_diff_density_max         2.269
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         8536
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0332
_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)+(0.0177P)²+3.4016P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0763
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6815
_reflns_number_total             8536
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc03532d2.cif
_cod_data_source_block           LS4_0m_a_sq
_cod_database_code               7130669
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.672
_shelx_estimated_absorpt_t_max   0.827
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
C1 C 0.7831(5) 0.8110(6) 0.3669(3) 0.0244(14) Uani 1 1 d . . . . .
C2 C 0.8313(5) 0.8993(6) 0.3245(3) 0.0247(14) Uani 1 1 d . . . . .
C3 C 0.8182(6) 0.8302(6) 0.2622(3) 0.0279(15) Uani 1 1 d . . . . .
C4 C 0.7623(6) 0.7007(5) 0.2668(3) 0.0259(15) Uani 1 1 d . . . . .
C5 C 0.7408(6) 0.6902(6) 0.3309(3) 0.0298(16) Uani 1 1 d . . . . .
C6 C 0.7943(6) 0.8451(6) 0.4383(3) 0.0360(17) Uani 1 1 d . . . . .
H6A H 0.7732 0.9167 0.4496 0.054 Uiso 1 1 calc R U . . .
H6B H 0.8841 0.8678 0.4562 0.054 Uiso 1 1 calc R U . . .
H6C H 0.7331 0.7731 0.4562 0.054 Uiso 1 1 calc R U . . .
C7 C 0.8903(6) 1.0402(5) 0.3445(3) 0.0345(17) Uani 1 1 d . . . . .
H7A H 0.9277 1.0809 0.3080 0.052 Uiso 1 1 calc R U . . .
H7B H 0.9594 1.0660 0.3799 0.052 Uiso 1 1 calc R U . . .
H7C H 0.8220 1.0653 0.3586 0.052 Uiso 1 1 calc R U . . .
C8 C 0.8697(6) 0.8819(6) 0.2029(3) 0.0295(15) Uani 1 1 d . . . . .
H8A H 0.7998 0.8439 0.1673 0.044 Uiso 1 1 calc R U . . .
H8B H 0.9432 0.8624 0.1920 0.044 Uiso 1 1 calc R U . . .
H8C H 0.8996 0.9733 0.2108 0.044 Uiso 1 1 calc R U . . .
C9 C 0.7442(6) 0.5938(6) 0.2139(4) 0.0399(18) Uani 1 1 d . . . . .
H9A H 0.7541 0.6236 0.1725 0.060 Uiso 1 1 calc R U . . .
H9B H 0.6565 0.5253 0.2128 0.060 Uiso 1 1 calc R U . . .
H9C H 0.8104 0.5632 0.2219 0.060 Uiso 1 1 calc R U . . .
C10 C 0.6916(6) 0.5674(6) 0.3567(4) 0.0411(19) Uani 1 1 d . . . . .
H10A H 0.6122 0.5052 0.3301 0.062 Uiso 1 1 calc R U . . .
H10B H 0.6712 0.5812 0.4010 0.062 Uiso 1 1 calc R U . . .
H10C H 0.7593 0.5365 0.3558 0.062 Uiso 1 1 calc R U . . .
C11 C 0.1954(7) 0.4347(6) 0.0829(3) 0.0346(17) Uani 1 1 d . . . . .
C12 C 0.3049(7) 0.4168(6) 0.1039(3) 0.0359(17) Uani 1 1 d . . . . .
C13 C 0.2740(6) 0.3521(5) 0.1569(3) 0.0271(15) Uani 1 1 d . . . . .
C14 C 0.1458(6) 0.3319(5) 0.1693(3) 0.0259(15) Uani 1 1 d . . . . .
C15 C 0.0966(6) 0.3822(6) 0.1236(3) 0.0302(15) Uani 1 1 d . . . . .
C16 C 0.1828(8) 0.4876(7) 0.0233(3) 0.048(2) Uani 1 1 d . . . . .
H16A H 0.2006 0.4402 -0.0139 0.072 Uiso 1 1 calc R U . . .
H16B H 0.2460 0.5762 0.0288 0.072 Uiso 1 1 calc R U . . .
H16C H 0.0937 0.4806 0.0164 0.072 Uiso 1 1 calc R U . . .
C17 C 0.4243(8) 0.4423(7) 0.0683(4) 0.060(3) Uani 1 1 d . . . . .
H17A H 0.4086 0.3683 0.0362 0.090 Uiso 1 1 calc R U . . .
H17B H 0.4999 0.4603 0.0986 0.090 Uiso 1 1 calc R U . . .
H17C H 0.4420 0.5148 0.0467 0.090 Uiso 1 1 calc R U . . .
C18 C 0.3540(7) 0.2980(6) 0.1885(4) 0.0425(19) Uani 1 1 d . . . . .
H18A H 0.3335 0.2139 0.1651 0.064 Uiso 1 1 calc R U . . .
H18B H 0.3332 0.2923 0.2330 0.064 Uiso 1 1 calc R U . . .
H18C H 0.4474 0.3526 0.1883 0.064 Uiso 1 1 calc R U . . .
C19 C 0.0719(7) 0.2589(6) 0.2190(3) 0.0368(17) Uani 1 1 d . . . . .
H19A H -0.0122 0.2640 0.2210 0.055 Uiso 1 1 calc R U . . .
H19B H 0.1235 0.2943 0.2610 0.055 Uiso 1 1 calc R U . . .
H19C H 0.0560 0.1707 0.2074 0.055 Uiso 1 1 calc R U . . .
C20 C -0.0437(7) 0.3643(6) 0.1150(3) 0.0416(18) Uani 1 1 d . . . . .
H20A H -0.0568 0.3978 0.0769 0.062 Uiso 1 1 calc R U . . .
H20B H -0.0625 0.4091 0.1529 0.062 Uiso 1 1 calc R U . . .
H20C H -0.1029 0.2745 0.1096 0.062 Uiso 1 1 calc R U . . .
C21 C 0.3080(6) 0.6059(5) 0.4692(3) 0.0204(13) Uani 1 1 d . . . . .
C22 C 0.2177(6) 0.4954(5) 0.4281(3) 0.0238(14) Uani 1 1 d . . . . .
C23 C 0.1006(6) 0.5069(5) 0.4162(3) 0.0205(13) Uani 1 1 d . . . . .
C24 C 0.1179(5) 0.6264(5) 0.4497(3) 0.0200(13) Uani 1 1 d . . . . .
C25 C 0.2465(6) 0.6860(5) 0.4819(3) 0.0209(13) Uani 1 1 d . . . . .
C26 C 0.4402(6) 0.6270(6) 0.4992(3) 0.0319(16) Uani 1 1 d . . . . .
H26A H 0.4865 0.5995 0.4667 0.048 Uiso 1 1 calc R U . . .
H26B H 0.4283 0.5787 0.5344 0.048 Uiso 1 1 calc R U . . .
H26C H 0.4917 0.7167 0.5160 0.048 Uiso 1 1 calc R U . . .
C27 C 0.2383(6) 0.3787(5) 0.4107(3) 0.0278(15) Uani 1 1 d . . . . .
H27A H 0.1892 0.3323 0.3691 0.042 Uiso 1 1 calc R U . . .
H27B H 0.2073 0.3255 0.4437 0.042 Uiso 1 1 calc R U . . .
H27C H 0.3319 0.4021 0.4081 0.042 Uiso 1 1 calc R U . . .
C28 C -0.0272(6) 0.4069(6) 0.3832(3) 0.0289(15) Uani 1 1 d . . . . .
H28A H -0.0706 0.4449 0.3582 0.043 Uiso 1 1 calc R U . . .
H28B H -0.0835 0.3662 0.4153 0.043 Uiso 1 1 calc R U . . .
H28C H -0.0110 0.3441 0.3544 0.043 Uiso 1 1 calc R U . . .
C29 C 0.0113(6) 0.6696(6) 0.4538(3) 0.0272(15) Uani 1 1 d . . . . .
H29A H -0.0115 0.6840 0.4115 0.041 Uiso 1 1 calc R U . . .
H29B H 0.0417 0.7479 0.4847 0.041 Uiso 1 1 calc R U . . .
H29C H -0.0662 0.6049 0.4680 0.041 Uiso 1 1 calc R U . . .
C30 C 0.3015(6) 0.8066(6) 0.5302(3) 0.0285(15) Uani 1 1 d . . . . .
H30A H 0.3853 0.8652 0.5180 0.043 Uiso 1 1 calc R U . . .
H30B H 0.3153 0.7881 0.5729 0.043 Uiso 1 1 calc R U . . .
H30C H 0.2395 0.8445 0.5312 0.043 Uiso 1 1 calc R U . . .
C31 C 0.5128(5) 0.8591(5) 0.3968(3) 0.0127(12) Uani 1 1 d D . . . .
H31A H 0.554(4) 0.858(5) 0.4388(14) 0.019 Uiso 1 1 d D U . . .
H31B H 0.591(3) 0.913(4) 0.380(2) 0.019 Uiso 1 1 d D U . . .
H31C H 0.456(4) 0.898(4) 0.408(2) 0.019 Uiso 1 1 d D U . . .
C32 C 0.5158(6) 0.7204(5) 0.1654(3) 0.0183(13) Uani 1 1 d . . . . .
H32A H 0.5415 0.7975 0.1469 0.11(4) Uiso 1 1 calc R . . . .
H32B H 0.4214 0.6684 0.1551 0.16(5) Uiso 1 1 calc R . . . .
H32C H 0.5637 0.6734 0.1475 0.241 Uiso 1 1 calc R U . . .
C33 C 0.0934(5) 0.5752(5) 0.2652(3) 0.0177(13) Uani 1 1 d . . . . .
H33A H 0.066(5) 0.601(5) 0.224(3) 0.027 Uiso 1 1 d . U . . .
H33B H 0.023(6) 0.485(6) 0.266(3) 0.027 Uiso 1 1 d . U . . .
H33C H 0.046(9) 0.596(8) 0.300(4) 0.10(3) Uiso 1 1 d . . . . .
C34 C 0.3981(6) 0.5744(6) 0.2969(3) 0.0191(13) Uani 1 1 d . . . . .
H34A H 0.433(8) 0.575(8) 0.337(4) 0.08(3) Uiso 1 1 d . . . . .
H34B H 0.371(7) 0.481(7) 0.280(3) 0.06(2) Uiso 1 1 d . . . . .
C35 C 0.5279(6) 1.0554(5) 0.2970(3) 0.0286(15) Uani 1 1 d . . . . .
H35A H 0.5519 1.0799 0.3440 0.034 Uiso 1 1 calc R U . . .
H35B H 0.4333 0.9977 0.2889 0.034 Uiso 1 1 calc R U . . .
C36 C 0.5572(9) 1.1690(7) 0.2666(5) 0.065(3) Uani 1 1 d . . . . .
H36A H 0.4848 1.1537 0.2340 0.078 Uiso 1 1 calc R U . . .
H36B H 0.5697 1.2422 0.2993 0.078 Uiso 1 1 calc R U . . .
C37 C 0.6763(9) 1.1912(7) 0.2370(5) 0.074(3) Uani 1 1 d . . . . .
H37A H 0.7534 1.2526 0.2664 0.089 Uiso 1 1 calc R U . . .
H37B H 0.6751 1.2251 0.1968 0.089 Uiso 1 1 calc R U . . .
C38 C 0.6826(7) 1.0692(6) 0.2229(4) 0.0421(19) Uani 1 1 d . . . . .
H38A H 0.6457 1.0279 0.1783 0.050 Uiso 1 1 calc R U . . .
H38B H 0.7745 1.0808 0.2286 0.050 Uiso 1 1 calc R U . . .
C39 C 0.0970(6) 0.7034(6) 0.1184(3) 0.0355(17) Uani 1 1 d . . . . .
H39A H 0.0426 0.7073 0.1536 0.043 Uiso 1 1 calc R U . . .
H39B H 0.0524 0.6201 0.0905 0.043 Uiso 1 1 calc R U . . .
C40 C 0.1188(7) 0.8080(6) 0.0797(4) 0.0425(18) Uani 1 1 d . . . . .
H40A H 0.1391 0.7867 0.0357 0.051 Uiso 1 1 calc R U . . .
H40B H 0.0415 0.8268 0.0772 0.051 Uiso 1 1 calc R U . . .
C41 C 0.2361(7) 0.9168(6) 0.1192(3) 0.0368(17) Uani 1 1 d . . . . .
H41A H 0.2840 0.9818 0.0931 0.044 Uiso 1 1 calc R U . . .
H41B H 0.2093 0.9560 0.1570 0.044 Uiso 1 1 calc R U . . .
C42 C 0.3179(6) 0.8525(6) 0.1391(3) 0.0343(16) Uani 1 1 d . . . . .
H42A H 0.3790 0.8519 0.1067 0.041 Uiso 1 1 calc R U . . .
H42B H 0.3697 0.8967 0.1810 0.041 Uiso 1 1 calc R U . . .
C43 C 0.2272(8) 0.9542(6) 0.4089(3) 0.0385(18) Uani 1 1 d . . . . .
H43A H 0.3004 0.9719 0.4415 0.046 Uiso 1 1 calc R U . . .
H43B H 0.1449 0.9288 0.4298 0.046 Uiso 1 1 calc R U . . .
C44 C 0.2520(9) 1.0665(7) 0.3783(3) 0.052(2) Uani 1 1 d . . . . .
H44A H 0.3473 1.1204 0.3804 0.063 Uiso 1 1 calc R U . . .
H44B H 0.2098 1.1168 0.4003 0.063 Uiso 1 1 calc R U . . .
C45 C 0.1928(7) 1.0157(6) 0.3086(3) 0.0358(17) Uani 1 1 d . . . . .
H45A H 0.2582 1.0534 0.2786 0.043 Uiso 1 1 calc R U . . .
H45B H 0.1160 1.0330 0.3000 0.043 Uiso 1 1 calc R U . . .
C46 C 0.1520(6) 0.8744(6) 0.3024(3) 0.0291(15) Uani 1 1 d . . . . .
H46A H 0.0557 0.8281 0.3017 0.035 Uiso 1 1 calc R U . . .
H46B H 0.1791 0.8429 0.2623 0.035 Uiso 1 1 calc R U . . .
Dy1 Dy 0.57042(3) 0.77764(3) 0.28790(2) 0.02097(8) Uani 1 1 d . . . . .
Dy2 Dy 0.28727(3) 0.58371(3) 0.20125(2) 0.02137(8) Uani 1 1 d . . . . .
Dy3 Dy 0.28247(3) 0.68049(2) 0.35699(2) 0.01723(8) Uani 1 1 d . . . . .
O1 O 0.6057(4) 0.9941(4) 0.2681(2) 0.0280(10) Uani 1 1 d . . . . .
O2 O 0.2260(4) 0.7243(4) 0.14387(19) 0.0266(10) Uani 1 1 d . . . . .
O3 O 0.2171(4) 0.8575(4) 0.35745(19) 0.0233(9) Uani 1 1 d . . . . .
H1 H 0.370(5) 0.773(5) 0.271(3) 0.028 Uiso 1 1 d . U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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
C5 C1 C2 107.9(6) . . ?
C5 C1 C6 127.1(6) . . ?
C2 C1 C6 124.5(6) . . ?
C5 C1 Dy1 75.1(3) . . ?
C2 C1 Dy1 73.9(3) . . ?
C6 C1 Dy1 123.4(4) . . ?
C3 C2 C1 107.3(5) . . ?
C3 C2 C7 127.9(6) . . ?
C1 C2 C7 124.8(6) . . ?
C3 C2 Dy1 74.2(3) . . ?
C1 C2 Dy1 75.9(3) . . ?
C7 C2 Dy1 117.8(4) . . ?
C4 C3 C2 108.1(5) . . ?
C4 C3 C8 124.3(6) . . ?
C2 C3 C8 127.1(6) . . ?
C4 C3 Dy1 75.7(3) . . ?
C2 C3 Dy1 75.3(3) . . ?
C8 C3 Dy1 121.3(4) . . ?
C5 C4 C3 107.8(6) . . ?
C5 C4 C9 125.6(6) . . ?
C3 C4 C9 126.2(6) . . ?
C5 C4 Dy1 75.8(3) . . ?
C3 C4 Dy1 74.0(3) . . ?
C9 C4 Dy1 121.9(4) . . ?
C4 C5 C1 108.9(5) . . ?
C4 C5 C10 124.2(6) . . ?
C1 C5 C10 126.6(6) . . ?
C4 C5 Dy1 74.5(4) . . ?
C1 C5 Dy1 75.2(3) . . ?
C10 C5 Dy1 121.0(4) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C15 107.3(6) . . ?
C12 C11 C16 125.4(6) . . ?
C15 C11 C16 127.0(7) . . ?
C12 C11 Dy2 74.5(4) . . ?
C15 C11 Dy2 74.1(4) . . ?
C16 C11 Dy2 122.1(4) . . ?
C11 C12 C13 108.7(6) . . ?
C11 C12 C17 124.5(7) . . ?
C13 C12 C17 126.0(7) . . ?
C11 C12 Dy2 75.6(4) . . ?
C13 C12 Dy2 74.8(4) . . ?
C17 C12 Dy2 124.1(4) . . ?
C14 C13 C12 107.6(6) . . ?
C14 C13 C18 125.1(6) . . ?
C12 C13 C18 126.8(6) . . ?
C14 C13 Dy2 74.2(3) . . ?
C12 C13 Dy2 75.1(3) . . ?
C18 C13 Dy2 123.0(4) . . ?
C13 C14 C15 108.2(5) . . ?
C13 C14 C19 124.8(6) . . ?
C15 C14 C19 126.8(6) . . ?
C13 C14 Dy2 75.8(3) . . ?
C15 C14 Dy2 75.5(3) . . ?
C19 C14 Dy2 119.2(4) . . ?
C14 C15 C11 108.2(6) . . ?
C14 C15 C20 124.6(6) . . ?
C11 C15 C20 126.7(6) . . ?
C14 C15 Dy2 74.3(3) . . ?
C11 C15 Dy2 75.9(4) . . ?
C20 C15 Dy2 122.7(4) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C25 C21 C22 107.5(5) . . ?
C25 C21 C26 126.2(6) . . ?
C22 C21 C26 126.0(5) . . ?
C25 C21 Dy3 74.5(3) . . ?
C22 C21 Dy3 74.9(3) . . ?
C26 C21 Dy3 121.4(4) . . ?
C23 C22 C21 108.6(5) . . ?
C23 C22 C27 126.4(6) . . ?
C21 C22 C27 124.2(6) . . ?
C23 C22 Dy3 75.6(3) . . ?
C21 C22 Dy3 74.5(3) . . ?
C27 C22 Dy3 124.3(4) . . ?
C22 C23 C24 107.8(5) . . ?
C22 C23 C28 127.2(5) . . ?
C24 C23 C28 124.5(5) . . ?
C22 C23 Dy3 74.3(3) . . ?
C24 C23 Dy3 74.2(3) . . ?
C28 C23 Dy3 124.1(4) . . ?
C25 C24 C23 107.2(5) . . ?
C25 C24 C29 128.4(5) . . ?
C23 C24 C29 124.1(5) . . ?
C25 C24 Dy3 74.0(3) . . ?
C23 C24 Dy3 75.2(3) . . ?
C29 C24 Dy3 121.6(4) . . ?
C21 C25 C24 108.9(5) . . ?
C21 C25 C30 124.9(5) . . ?
C24 C25 C30 125.6(5) . . ?
C21 C25 Dy3 75.3(3) . . ?
C24 C25 Dy3 75.5(3) . . ?
C30 C25 Dy3 122.7(4) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Dy1 C31 Dy3 82.76(16) . . ?
Dy1 C31 H31A 123(3) . . ?
Dy3 C31 H31A 117(3) . . ?
Dy1 C31 H31B 61(3) . . ?
Dy3 C31 H31B 140(3) . . ?
H31A C31 H31B 98(3) . . ?
Dy1 C31 H31C 133(3) . . ?
Dy3 C31 H31C 77(3) . . ?
H31A C31 H31C 103(3) . . ?
H31B C31 H31C 114(3) . . ?
Dy1 C32 Dy2 80.18(14) . . ?
Dy1 C32 H32A 109.5 . . ?
Dy2 C32 H32A 127.7 . . ?
Dy1 C32 H32B 109.5 . . ?
Dy2 C32 H32B 30.0 . . ?
H32A C32 H32B 109.5 . . ?
Dy1 C32 H32C 109.5 . . ?
Dy2 C32 H32C 115.2 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Dy3 C33 Dy2 80.52(16) . . ?
Dy3 C33 H33A 136(3) . . ?
Dy2 C33 H33A 82(3) . . ?
Dy3 C33 H33B 119(3) . . ?
Dy2 C33 H33B 114(3) . . ?
H33A C33 H33B 105(4) . . ?
Dy3 C33 H33C 80(5) . . ?
Dy2 C33 H33C 159(5) . . ?
H33A C33 H33C 107(6) . . ?
H33B C33 H33C 82(5) . . ?
Dy2 C34 Dy1 87.97(19) . . ?
Dy2 C34 Dy3 87.63(19) . . ?
Dy1 C34 Dy3 89.3(2) . . ?
Dy2 C34 H34A 172(5) . . ?
Dy1 C34 H34A 93(5) . . ?
Dy3 C34 H34A 84(5) . . ?
Dy2 C34 H34B 88(4) . . ?
Dy1 C34 H34B 139(4) . . ?
Dy3 C34 H34B 131(4) . . ?
H34A C34 H34B 97(6) . . ?
O1 C35 C36 106.7(5) . . ?
O1 C35 H35A 110.4 . . ?
C36 C35 H35A 110.4 . . ?
O1 C35 H35B 110.4 . . ?
C36 C35 H35B 110.4 . . ?
H35A C35 H35B 108.6 . . ?
C37 C36 C35 105.6(6) . . ?
C37 C36 H36A 110.6 . . ?
C35 C36 H36A 110.6 . . ?
C37 C36 H36B 110.6 . . ?
C35 C36 H36B 110.6 . . ?
H36A C36 H36B 108.8 . . ?
C36 C37 C38 106.9(6) . . ?
C36 C37 H37A 110.3 . . ?
C38 C37 H37A 110.3 . . ?
C36 C37 H37B 110.3 . . ?
C38 C37 H37B 110.3 . . ?
H37A C37 H37B 108.6 . . ?
O1 C38 C37 106.0(6) . . ?
O1 C38 H38A 110.5 . . ?
C37 C38 H38A 110.5 . . ?
O1 C38 H38B 110.5 . . ?
C37 C38 H38B 110.5 . . ?
H38A C38 H38B 108.7 . . ?
O2 C39 C40 105.7(5) . . ?
O2 C39 H39A 110.6 . . ?
C40 C39 H39A 110.6 . . ?
O2 C39 H39B 110.6 . . ?
C40 C39 H39B 110.6 . . ?
H39A C39 H39B 108.7 . . ?
C41 C40 C39 101.4(5) . . ?
C41 C40 H40A 111.5 . . ?
C39 C40 H40A 111.5 . . ?
C41 C40 H40B 111.5 . . ?
C39 C40 H40B 111.5 . . ?
H40A C40 H40B 109.3 . . ?
C42 C41 C40 102.0(5) . . ?
C42 C41 H41A 111.4 . . ?
C40 C41 H41A 111.4 . . ?
C42 C41 H41B 111.4 . . ?
C40 C41 H41B 111.4 . . ?
H41A C41 H41B 109.2 . . ?
O2 C42 C41 106.3(5) . . ?
O2 C42 H42A 110.5 . . ?
C41 C42 H42A 110.5 . . ?
O2 C42 H42B 110.5 . . ?
C41 C42 H42B 110.5 . . ?
H42A C42 H42B 108.7 . . ?
O3 C43 C44 105.3(5) . . ?
O3 C43 H43A 110.7 . . ?
C44 C43 H43A 110.7 . . ?
O3 C43 H43B 110.7 . . ?
C44 C43 H43B 110.7 . . ?
H43A C43 H43B 108.8 . . ?
C43 C44 C45 105.9(6) . . ?
C43 C44 H44A 110.6 . . ?
C45 C44 H44A 110.6 . . ?
C43 C44 H44B 110.6 . . ?
C45 C44 H44B 110.6 . . ?
H44A C44 H44B 108.7 . . ?
C44 C45 C46 103.5(5) . . ?
C44 C45 H45A 111.1 . . ?
C46 C45 H45A 111.1 . . ?
C44 C45 H45B 111.1 . . ?
C46 C45 H45B 111.1 . . ?
H45A C45 H45B 109.0 . . ?
O3 C46 C45 106.3(5) . . ?
O3 C46 H46A 110.5 . . ?
C45 C46 H46A 110.5 . . ?
O3 C46 H46B 110.5 . . ?
C45 C46 H46B 110.5 . . ?
H46A C46 H46B 108.7 . . ?
C34 Dy1 O1 141.55(16) . . ?
C34 Dy1 C32 88.6(2) . . ?
O1 Dy1 C32 83.16(16) . . ?
C34 Dy1 C31 86.37(19) . . ?
O1 Dy1 C31 81.04(15) . . ?
C32 Dy1 C31 147.46(17) . . ?
C34 Dy1 C3 127.31(19) . . ?
O1 Dy1 C3 89.35(16) . . ?
C32 Dy1 C3 84.84(19) . . ?
C31 Dy1 C3 123.08(19) . . ?
C34 Dy1 C2 135.19(19) . . ?
O1 Dy1 C2 81.85(15) . . ?
C32 Dy1 C2 113.01(18) . . ?
C31 Dy1 C2 92.68(18) . . ?
C3 Dy1 C2 30.46(19) . . ?
C34 Dy1 C4 97.03(18) . . ?
O1 Dy1 C4 119.34(15) . . ?
C32 Dy1 C4 84.78(19) . . ?
C31 Dy1 C4 127.75(18) . . ?
C3 Dy1 C4 30.34(17) . . ?
C2 Dy1 C4 50.05(18) . . ?
C34 Dy1 C5 86.31(19) . . ?
O1 Dy1 C5 131.48(15) . . ?
C32 Dy1 C5 112.20(19) . . ?
C31 Dy1 C5 99.54(19) . . ?
C3 Dy1 C5 49.54(18) . . ?
C2 Dy1 C5 49.63(17) . . ?
C4 Dy1 C5 29.74(19) . . ?
C34 Dy1 C1 106.71(19) . . ?
O1 Dy1 C1 106.44(16) . . ?
C32 Dy1 C1 132.47(18) . . ?
C31 Dy1 C1 79.52(17) . . ?
C3 Dy1 C1 49.82(19) . . ?
C2 Dy1 C1 30.27(17) . . ?
C4 Dy1 C1 49.45(19) . . ?
C5 Dy1 C1 29.74(18) . . ?
C34 Dy1 Dy2 45.57(15) . . ?
O1 Dy1 Dy2 104.31(9) . . ?
C32 Dy1 Dy2 50.49(12) . . ?
C31 Dy1 Dy2 106.86(11) . . ?
C3 Dy1 Dy2 129.77(14) . . ?
C2 Dy1 Dy2 160.13(13) . . ?
C4 Dy1 Dy2 112.25(13) . . ?
C5 Dy1 Dy2 121.20(13) . . ?
C1 Dy1 Dy2 149.21(13) . . ?
C34 Dy1 Dy3 45.68(14) . . ?
O1 Dy1 Dy3 102.02(9) . . ?
C32 Dy1 Dy3 108.26(12) . . ?
C31 Dy1 Dy3 48.66(11) . . ?
C3 Dy1 Dy3 163.42(14) . . ?
C2 Dy1 Dy3 138.71(13) . . ?
C4 Dy1 Dy3 138.04(13) . . ?
C5 Dy1 Dy3 114.54(13) . . ?
C1 Dy1 Dy3 114.54(12) . . ?
Dy2 Dy1 Dy3 59.333(9) . . ?
C34 Dy1 H31B 107.6(6) . . ?
O1 Dy1 H31B 66.9(9) . . ?
C32 Dy1 H31B 148.0(11) . . ?
C31 Dy1 H31B 21.6(5) . . ?
C3 Dy1 H31B 105.0(7) . . ?
C2 Dy1 H31B 74.9(8) . . ?
C4 Dy1 H31B 119.0(10) . . ?
C5 Dy1 H31B 96.6(11) . . ?
C1 Dy1 H31B 70.0(11) . . ?
Dy2 Dy1 H31B 125.0(8) . . ?
Dy3 Dy1 H31B 69.5(6) . . ?
C34 Dy1 H1 68.6(14) . . ?
O1 Dy1 H1 73.0(14) . . ?
C32 Dy1 H1 75.8(14) . . ?
C31 Dy1 H1 72.4(14) . . ?
C3 Dy1 H1 155.1(14) . . ?
C2 Dy1 H1 152.3(14) . . ?
C4 Dy1 H1 155.8(14) . . ?
C5 Dy1 H1 153.8(14) . . ?
C1 Dy1 H1 151.7(14) . . ?
Dy2 Dy1 H1 43.8(14) . . ?
Dy3 Dy1 H1 41.5(14) . . ?
H31B Dy1 H1 84.5(17) . . ?
C34 Dy2 O2 143.97(17) . . ?
C34 Dy2 C33 89.17(19) . . ?
O2 Dy2 C33 82.53(16) . . ?
C34 Dy2 C32 88.35(18) . . ?
O2 Dy2 C32 80.88(15) . . ?
C33 Dy2 C32 147.95(18) . . ?
C34 Dy2 C14 95.0(2) . . ?
O2 Dy2 C14 118.88(16) . . ?
C33 Dy2 C14 84.82(19) . . ?
C32 Dy2 C14 127.23(18) . . ?
C34 Dy2 C15 125.1(2) . . ?
O2 Dy2 C15 88.79(17) . . ?
C33 Dy2 C15 83.12(19) . . ?
C32 Dy2 C15 123.57(18) . . ?
C14 Dy2 C15 30.26(18) . . ?
C34 Dy2 C13 85.8(2) . . ?
O2 Dy2 C13 129.68(16) . . ?
C33 Dy2 C13 113.20(18) . . ?
C32 Dy2 C13 98.47(18) . . ?
C14 Dy2 C13 30.04(18) . . ?
C15 Dy2 C13 49.7(2) . . ?
C34 Dy2 C12 108.2(2) . . ?
O2 Dy2 C12 103.48(18) . . ?
C33 Dy2 C12 131.35(19) . . ?
C32 Dy2 C12 79.40(18) . . ?
C14 Dy2 C12 49.56(18) . . ?
C15 Dy2 C12 49.4(2) . . ?
C13 Dy2 C12 30.07(18) . . ?
C34 Dy2 C11 135.2(2) . . ?
O2 Dy2 C11 80.05(17) . . ?
C33 Dy2 C11 110.2(2) . . ?
C32 Dy2 C11 93.66(19) . . ?
C14 Dy2 C11 49.79(18) . . ?
C15 Dy2 C11 30.05(18) . . ?
C13 Dy2 C11 49.66(19) . . ?
C12 Dy2 C11 29.9(2) . . ?
C34 Dy2 Dy1 46.46(14) . . ?
O2 Dy2 Dy1 104.10(9) . . ?
C33 Dy2 Dy1 109.78(13) . . ?
C32 Dy2 Dy1 49.33(12) . . ?
C14 Dy2 Dy1 136.26(14) . . ?
C15 Dy2 Dy1 162.60(14) . . ?
C13 Dy2 Dy1 113.17(14) . . ?
C12 Dy2 Dy1 115.02(15) . . ?
C11 Dy2 Dy1 139.99(15) . . ?
C34 Dy2 Dy3 46.95(14) . . ?
O2 Dy2 Dy3 104.89(9) . . ?
C33 Dy2 Dy3 49.72(13) . . ?
C32 Dy2 Dy3 109.30(12) . . ?
C14 Dy2 Dy3 110.91(13) . . ?
C15 Dy2 Dy3 126.91(13) . . ?
C13 Dy2 Dy3 121.98(13) . . ?
C12 Dy2 Dy3 151.30(15) . . ?
C11 Dy2 Dy3 156.95(14) . . ?
Dy1 Dy2 Dy3 61.552(9) . . ?
C34 Dy2 H34B 23.6(17) . . ?
O2 Dy2 H34B 167.5(17) . . ?
C33 Dy2 H34B 94.0(16) . . ?
C32 Dy2 H34B 96.3(16) . . ?
C14 Dy2 H34B 72.5(17) . . ?
C15 Dy2 H34B 102.8(17) . . ?
C13 Dy2 H34B 62.7(17) . . ?
C12 Dy2 H34B 87.8(17) . . ?
C11 Dy2 H34B 112.4(17) . . ?
Dy1 Dy2 H34B 65.7(17) . . ?
Dy3 Dy2 H34B 64.4(17) . . ?
C34 Dy2 H1 68.4(14) . . ?
O2 Dy2 H1 75.6(14) . . ?
C33 Dy2 H1 75.3(13) . . ?
C32 Dy2 H1 74.1(13) . . ?
C14 Dy2 H1 153.9(13) . . ?
C15 Dy2 H1 154.7(14) . . ?
C13 Dy2 H1 153.1(14) . . ?
C12 Dy2 H1 153.3(13) . . ?
C11 Dy2 H1 154.1(14) . . ?
Dy1 Dy2 H1 42.6(14) . . ?
Dy3 Dy2 H1 43.0(13) . . ?
H34B Dy2 H1 92(2) . . ?
C34 Dy3 O3 142.36(16) . . ?
C34 Dy3 C33 87.9(2) . . ?
O3 Dy3 C33 81.57(16) . . ?
C34 Dy3 C31 85.77(19) . . ?
O3 Dy3 C31 84.01(15) . . ?
C33 Dy3 C31 147.14(17) . . ?
C34 Dy3 C25 126.28(19) . . ?
O3 Dy3 C25 88.78(15) . . ?
C33 Dy3 C25 123.73(18) . . ?
C31 Dy3 C25 85.14(17) . . ?
C34 Dy3 C21 96.11(19) . . ?
O3 Dy3 C21 118.52(15) . . ?
C33 Dy3 C21 129.08(17) . . ?
C31 Dy3 C21 83.69(17) . . ?
C25 Dy3 C21 30.25(17) . . ?
C34 Dy3 C22 85.47(18) . . ?
O3 Dy3 C22 131.88(15) . . ?
C33 Dy3 C22 100.17(18) . . ?
C31 Dy3 C22 111.38(18) . . ?
C25 Dy3 C22 50.09(17) . . ?
C21 Dy3 C22 30.56(17) . . ?
C34 Dy3 C24 135.15(18) . . ?
O3 Dy3 C24 81.72(15) . . ?
C33 Dy3 C24 93.21(18) . . ?
C31 Dy3 C24 113.72(17) . . ?
C25 Dy3 C24 30.56(17) . . ?
C21 Dy3 C24 50.36(17) . . ?
C22 Dy3 C24 50.19(17) . . ?
C34 Dy3 C23 106.76(18) . . ?
O3 Dy3 C23 106.76(15) . . ?
C33 Dy3 C23 79.95(17) . . ?
C31 Dy3 C23 132.66(17) . . ?
C25 Dy3 C23 50.26(17) . . ?
C21 Dy3 C23 50.24(17) . . ?
C22 Dy3 C23 30.11(18) . . ?
C24 Dy3 C23 30.58(16) . . ?
C34 Dy3 Dy2 45.42(15) . . ?
O3 Dy3 Dy2 103.99(9) . . ?
C33 Dy3 Dy2 49.76(13) . . ?
C31 Dy3 Dy2 106.56(12) . . ?
C25 Dy3 Dy2 163.31(12) . . ?
C21 Dy3 Dy2 137.20(12) . . ?
C22 Dy3 Dy2 113.53(13) . . ?
C24 Dy3 Dy2 139.70(12) . . ?
C23 Dy3 Dy2 114.60(12) . . ?
C34 Dy3 Dy1 45.07(14) . . ?
O3 Dy3 Dy1 104.43(9) . . ?
C33 Dy3 Dy1 107.44(13) . . ?
C31 Dy3 Dy1 48.58(12) . . ?
C25 Dy3 Dy1 128.57(13) . . ?
C21 Dy3 Dy1 110.83(12) . . ?
C22 Dy3 Dy1 120.11(13) . . ?
C24 Dy3 Dy1 159.03(12) . . ?
C23 Dy3 Dy1 148.69(12) . . ?
Dy2 Dy3 Dy1 59.115(8) . . ?
C34 Dy3 H31C 106.5(5) . . ?
O3 Dy3 H31C 64.4(6) . . ?
C33 Dy3 H31C 140.4(9) . . ?
C31 Dy3 H31C 21.4(4) . . ?
C25 Dy3 H31C 77.2(10) . . ?
C21 Dy3 H31C 86.8(10) . . ?
C22 Dy3 H31C 117.3(10) . . ?
C24 Dy3 H31C 100.8(8) . . ?
C23 Dy3 H31C 127.4(10) . . ?
Dy2 Dy3 H31C 117.9(9) . . ?
Dy1 Dy3 H31C 65.6(7) . . ?
C34 Dy3 H34A 21.1(19) . . ?
O3 Dy3 H34A 154.1(19) . . ?
C33 Dy3 H34A 106(2) . . ?
C31 Dy3 H34A 76.4(19) . . ?
C25 Dy3 H34A 106.1(19) . . ?
C21 Dy3 H34A 76.4(19) . . ?
C22 Dy3 H34A 72.1(19) . . ?
C24 Dy3 H34A 121.6(19) . . ?
C23 Dy3 H34A 99.0(18) . . ?
Dy2 Dy3 H34A 67(2) . . ?
Dy1 Dy3 H34A 49.7(18) . . ?
H31C Dy3 H34A 98(2) . . ?
C34 Dy3 H1 67.8(14) . . ?
O3 Dy3 H1 74.6(14) . . ?
C33 Dy3 H1 75.8(14) . . ?
C31 Dy3 H1 72.0(14) . . ?
C25 Dy3 H1 152.7(14) . . ?
C21 Dy3 H1 151.3(14) . . ?
C22 Dy3 H1 153.0(14) . . ?
C24 Dy3 H1 155.0(14) . . ?
C23 Dy3 H1 155.2(14) . . ?
Dy2 Dy3 H1 43.7(13) . . ?
Dy1 Dy3 H1 41.0(14) . . ?
H31C Dy3 H1 76.2(17) . . ?
H34A Dy3 H1 83(2) . . ?
C38 O1 C35 108.1(4) . . ?
C38 O1 Dy1 130.2(4) . . ?
C35 O1 Dy1 121.1(3) . . ?
C39 O2 C42 108.5(4) . . ?
C39 O2 Dy2 128.0(3) . . ?
C42 O2 Dy2 123.0(3) . . ?
C43 O3 C46 106.4(4) . . ?
C43 O3 Dy3 130.1(4) . . ?
C46 O3 Dy3 123.4(3) . . ?
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
C1 C5 1.402(9) . ?
C1 C2 1.421(8) . ?
C1 C6 1.494(9) . ?
C1 Dy1 2.733(6) . ?
C2 C3 1.419(9) . ?
C2 C7 1.508(8) . ?
C2 Dy1 2.707(6) . ?
C3 C4 1.416(8) . ?
C3 C8 1.499(8) . ?
C3 Dy1 2.694(5) . ?
C4 C5 1.398(9) . ?
C4 C9 1.511(9) . ?
C4 Dy1 2.716(6) . ?
C5 C10 1.515(8) . ?
C5 Dy1 2.731(6) . ?
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 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.411(10) . ?
C11 C15 1.416(9) . ?
C11 C16 1.511(9) . ?
C11 Dy2 2.743(6) . ?
C12 C13 1.415(9) . ?
C12 C17 1.506(9) . ?
C12 Dy2 2.729(6) . ?
C13 C14 1.407(9) . ?
C13 C18 1.500(9) . ?
C13 Dy2 2.725(6) . ?
C14 C15 1.416(9) . ?
C14 C19 1.501(8) . ?
C14 Dy2 2.704(6) . ?
C15 C20 1.511(9) . ?
C15 Dy2 2.720(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
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 C25 1.402(8) . ?
C21 C22 1.420(8) . ?
C21 C26 1.509(8) . ?
C21 Dy3 2.691(5) . ?
C22 C23 1.405(8) . ?
C22 C27 1.502(8) . ?
C22 Dy3 2.696(5) . ?
C23 C24 1.428(8) . ?
C23 C28 1.497(8) . ?
C23 Dy3 2.714(5) . ?
C24 C25 1.418(8) . ?
C24 C29 1.498(8) . ?
C24 Dy3 2.701(5) . ?
C25 C30 1.512(8) . ?
C25 Dy3 2.681(6) . ?
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 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 Dy1 2.584(5) . ?
C31 Dy3 2.587(5) . ?
C31 H31A 0.991(18) . ?
C31 H31B 0.960(19) . ?
C31 H31C 0.955(18) . ?
C32 Dy1 2.568(6) . ?
C32 Dy2 2.612(5) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 Dy3 2.586(6) . ?
C33 Dy2 2.587(6) . ?
C33 H33A 1.05(6) . ?
C33 H33B 1.03(6) . ?
C33 H33C 0.98(9) . ?
C34 Dy2 2.384(6) . ?
C34 Dy1 2.420(6) . ?
C34 Dy3 2.445(6) . ?
C34 H34A 0.91(9) . ?
C34 H34B 1.02(8) . ?
C35 O1 1.461(7) . ?
C35 C36 1.493(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.441(11) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.473(10) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 O1 1.450(7) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 O2 1.444(7) . ?
C39 C40 1.521(9) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.520(9) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.510(9) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 O2 1.459(7) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 O3 1.433(7) . ?
C43 C44 1.489(9) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.526(9) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.530(8) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 O3 1.438(7) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
Dy1 O1 2.532(4) . ?
Dy1 Dy2 3.3361(4) . ?
Dy1 Dy3 3.4179(4) . ?
Dy1 H31B 2.29(5) . ?
Dy1 H1 2.26(6) . ?
Dy2 O2 2.496(4) . ?
Dy2 Dy3 3.3436(4) . ?
Dy2 H34B 2.56(7) . ?
Dy2 H1 2.31(5) . ?
Dy3 O3 2.508(4) . ?
Dy3 H31C 2.55(5) . ?
Dy3 H34A 2.52(9) . ?
Dy3 H1 2.29(5) . ?
