#------------------------------------------------------------------------------
#$Date: 2022-08-31 01:56:31 +0300 (Wed, 31 Aug 2022) $
#$Revision: 277471 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/10/7711090.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_7711090
loop_
_publ_author_name
'Wang, Wen-Min'
'Xin, Xiao-Yan'
'Qiao, Na'
'Wu, Zhi-Lei'
'Li, Ling'
'Zou, Ji-Yong'
_publ_section_title
;
 Self-assembly of octanuclear Ln(iii)-based clusters: their large
 magnetocaloric effects and highly efficient conversion of CO2
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01892F
_journal_year                    2022
_chemical_formula_moiety         'C72 H98 Dy8 N6 O32'
_chemical_formula_sum            'C72 H98 Dy8 N6 O32'
_chemical_formula_weight         2859.56
_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
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-07-22
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-07-27 deposited with the CCDC.	2022-08-17 downloaded from the CCDC.
;
_cell_angle_alpha                101.562(5)
_cell_angle_beta                 103.649(4)
_cell_angle_gamma                115.059(4)
_cell_formula_units_Z            1
_cell_length_a                   12.9500(13)
_cell_length_b                   14.4583(14)
_cell_length_c                   14.5993(14)
_cell_measurement_reflns_used    5496
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.27
_cell_volume                     2261.9(4)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0990
_diffrn_reflns_av_unetI/netI     0.0850
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30719
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.271
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.598
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1133 before and 0.0690 after correction.
The Ratio of minimum to maximum transmission is 0.6790.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.099
_exptl_crystal_description       block
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.272
_refine_diff_density_min         -1.278
_refine_diff_density_rms         0.221
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7806
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0909
_refine_ls_R_factor_gt           0.0468
_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)+20.7178P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0915
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5255
_reflns_number_total             7806
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01892f2.cif
_cod_data_source_block           2
_cod_database_code               7711090
_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.
;
_shelx_estimated_absorpt_t_max   0.438
_shelx_estimated_absorpt_t_min   0.227
_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. Restrained distances
 O16-H16
 0.82 with sigma of 0.02
 O15-H15
 0.82 with sigma of 0.02
 Dy4_$1-H16 \\sim H16-Dy2_$1
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C9) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C27) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C36)
\\sim Ueq, Uanis(C29) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C30) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C20) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4.a Secondary CH2 refined with riding coordinates:
 C34(H34A,H34B), C36(H36A,H36B), C12(H12A,H12B)
4.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C7(H7), C30(H30), C3(H3), C1(H1), C10(H10), C2(H2), C4(H4), C15(H15A),
  C20(H20), C25(H25)
4.c Idealised Me refined as rotating group:
 C35(H35A,H35B,H35C), C23(H23A,H23B,H23C), C28(H28A,H28B,H28C), C32(H32A,H32B,
 H32C), C17(H17A,H17B,H17C), C27(H27A,H27B,H27C), C13(H13A,H13B,H13C), C33(H33A,
 H33B,H33C), C22(H22A,H22B,H22C), C18(H18A,H18B,H18C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Dy2 Dy 0.70621(5) 0.59698(5) 0.15902(4) 0.02662(14) Uani 1 1 d D . . . .
Dy1 Dy 0.59417(5) 0.37791(5) 0.25544(4) 0.02877(15) Uani 1 1 d . . . . .
Dy4 Dy 0.50544(5) 0.68653(5) 0.01222(4) 0.02758(15) Uani 1 1 d D . . . .
Dy3 Dy 0.38377(5) 0.46557(5) 0.13771(4) 0.02769(15) Uani 1 1 d . . . . .
O14 O 0.5400(6) 0.4414(6) 0.1254(5) 0.0234(17) Uani 1 1 d . . . . .
O15 O 0.5445(7) 0.6349(7) 0.1571(6) 0.0300(19) Uani 1 1 d D . . . .
O16 O 0.3241(7) 0.3410(7) -0.0234(5) 0.0283(18) Uani 1 1 d D . . . .
O13 O 0.5590(7) 0.2546(6) 0.1107(6) 0.0313(19) Uani 1 1 d . . . . .
O8 O 0.6802(7) 0.8538(7) 0.0993(6) 0.037(2) Uani 1 1 d . . . . .
O12 O 0.7703(7) 0.5124(6) 0.2558(5) 0.0334(19) Uani 1 1 d . . . . .
O4 O 0.4946(7) 0.2577(7) 0.3317(5) 0.038(2) Uani 1 1 d . . . . .
O7 O 0.9038(7) 0.7264(7) 0.1825(6) 0.036(2) Uani 1 1 d . . . . .
O11 O 0.1829(7) 0.3660(6) 0.1192(6) 0.0324(19) Uani 1 1 d . . . . .
O6 O 0.7778(7) 0.7260(7) 0.3138(6) 0.041(2) Uani 1 1 d . . . . .
O9 O 0.4478(7) 0.7896(6) 0.1079(6) 0.037(2) Uani 1 1 d . . . . .
O5 O 0.7276(7) 0.3256(6) 0.3324(5) 0.0326(19) Uani 1 1 d . . . . .
O3 O 0.3150(7) 0.5309(6) -0.0121(5) 0.0282(18) Uani 1 1 d . . . . .
O2 O 0.2759(7) 0.5889(6) 0.1479(5) 0.0320(19) Uani 1 1 d . . . . .
O1 O 0.5100(7) 0.4864(7) 0.2981(6) 0.038(2) Uani 1 1 d . . . . .
O10 O 0.3522(7) 0.2919(6) 0.1579(5) 0.0335(19) Uani 1 1 d . . . . .
N3 N 0.4029(10) 0.5950(9) 0.3115(7) 0.045(3) Uani 1 1 d . . . . .
C9 C 0.1628(10) 0.6519(9) 0.1985(9) 0.033(3) Uani 1 1 d . U . . .
H9 H 0.128594 0.679921 0.239746 0.039 Uiso 1 1 calc R . . . .
N1 N 0.6856(9) 0.5095(8) 0.4485(7) 0.034(2) Uani 1 1 d . . . . .
C24 C 0.7104(11) 0.9349(10) 0.1732(9) 0.034(3) Uani 1 1 d . . . . .
C31 C 0.1068(10) 0.2658(11) 0.0948(8) 0.036(3) Uani 1 1 d . . . . .
N2 N 0.4801(9) 0.6147(8) 0.4015(8) 0.043(3) Uani 1 1 d . . . . .
C34 C 0.8912(10) 0.5616(11) 0.3242(9) 0.041(3) Uani 1 1 d . . . . .
H34A H 0.889638 0.566670 0.392395 0.050 Uiso 1 1 calc R . . . .
H34B H 0.937405 0.636489 0.324208 0.050 Uiso 1 1 calc R . . . .
C6 C 0.5349(11) 0.5558(10) 0.3839(9) 0.031(3) Uani 1 1 d . . . . .
C16 C 0.7330(12) 0.2674(9) 0.3857(8) 0.035(3) Uani 1 1 d . . . . .
C7 C 0.3328(12) 0.6394(10) 0.3208(10) 0.041(3) Uani 1 1 d . . . . .
H7 H 0.335343 0.673900 0.384632 0.050 Uiso 1 1 calc R . . . .
C5 C 0.6297(10) 0.5666(10) 0.4696(8) 0.031(3) Uani 1 1 d . . . . .
C11 C 0.1953(10) 0.5843(10) 0.0647(9) 0.033(3) Uani 1 1 d . . . . .
C36 C 0.5692(10) 0.1610(9) 0.1020(9) 0.033(3) Uani 1 1 d . U . . .
H36A H 0.504006 0.102068 0.039932 0.039 Uiso 1 1 calc R . . . .
H36B H 0.557354 0.137350 0.159588 0.039 Uiso 1 1 calc R . . . .
C29 C 0.2553(11) 0.1985(10) 0.1220(8) 0.031(3) Uani 1 1 d . U . . .
C26 C 0.5031(12) 0.8820(11) 0.1763(10) 0.040(3) Uani 1 1 d . . . . .
C30 C 0.1354(10) 0.1825(10) 0.0900(8) 0.031(3) Uani 1 1 d . U . . .
H30 H 0.069476 0.109900 0.063367 0.037 Uiso 1 1 calc R . . . .
C3 C 0.7587(12) 0.6441(11) 0.6406(9) 0.046(3) Uani 1 1 d . . . . .
H3 H 0.783857 0.691186 0.706791 0.055 Uiso 1 1 calc R . . . .
C14 C 0.5169(12) 0.2020(11) 0.3840(8) 0.040(3) Uani 1 1 d . . . . .
C12 C 0.2076(11) 0.5429(10) -0.0283(9) 0.039(3) Uani 1 1 d . . . . .
H12A H 0.212297 0.593082 -0.066392 0.046 Uiso 1 1 calc R . . . .
H12B H 0.134095 0.471519 -0.069078 0.046 Uiso 1 1 calc R . . . .
C35 C 0.6914(10) 0.1801(11) 0.0991(9) 0.040(3) Uani 1 1 d . U . . .
H35A H 0.703510 0.203852 0.042295 0.060 Uiso 1 1 calc GR . . . .
H35B H 0.694486 0.112520 0.091449 0.060 Uiso 1 1 calc GR . . . .
H35C H 0.755928 0.236331 0.161643 0.060 Uiso 1 1 calc GR . . . .
C1 C 0.7758(11) 0.5197(10) 0.5233(9) 0.038(3) Uani 1 1 d . . . . .
H1 H 0.815290 0.479245 0.508889 0.046 Uiso 1 1 calc R . . . .
C10 C 0.1259(11) 0.6237(10) 0.0937(9) 0.041(3) Uani 1 1 d . . . . .
H10 H 0.063834 0.630893 0.051201 0.049 Uiso 1 1 calc R . . . .
C23 C 0.8444(12) 1.0167(11) 0.2215(10) 0.055(4) Uani 1 1 d . . . . .
H23A H 0.887165 0.986537 0.259449 0.082 Uiso 1 1 calc GR . . . .
H23B H 0.855833 1.083004 0.266972 0.082 Uiso 1 1 calc GR . . . .
H23C H 0.877557 1.033832 0.169534 0.082 Uiso 1 1 calc GR . . . .
C28 C 0.2705(11) 0.1002(10) 0.1159(9) 0.041(3) Uani 1 1 d . . . . .
H28A H 0.308027 0.090862 0.066388 0.061 Uiso 1 1 calc GR . . . .
H28B H 0.190239 0.035696 0.095728 0.061 Uiso 1 1 calc GR . . . .
H28C H 0.322990 0.109978 0.181676 0.061 Uiso 1 1 calc GR . . . .
C2 C 0.8154(13) 0.5865(10) 0.6216(9) 0.047(4) Uani 1 1 d . . . . .
H2 H 0.879855 0.591558 0.673471 0.057 Uiso 1 1 calc R . . . .
C32 C -0.0240(11) 0.2358(11) 0.0732(10) 0.052(4) Uani 1 1 d . U . . .
H32A H -0.029657 0.286286 0.124913 0.079 Uiso 1 1 calc GR . . . .
H32B H -0.070228 0.161652 0.072898 0.079 Uiso 1 1 calc GR . . . .
H32C H -0.057964 0.239616 0.007436 0.079 Uiso 1 1 calc GR . . . .
C4 C 0.6650(12) 0.6349(10) 0.5648(9) 0.041(3) Uani 1 1 d . . . . .
H4 H 0.625095 0.675227 0.578143 0.050 Uiso 1 1 calc R . . . .
C15 C 0.6326(11) 0.2075(10) 0.4137(8) 0.037(3) Uani 1 1 d . . . . .
H15A H 0.644399 0.167802 0.455894 0.045 Uiso 1 1 calc R . . . .
C19 C 0.8789(13) 0.8025(11) 0.3729(9) 0.046(3) Uani 1 1 d . U . . .
C17 C 0.8474(12) 0.2619(11) 0.4205(10) 0.052(4) Uani 1 1 d . . . . .
H17A H 0.862105 0.230369 0.362380 0.078 Uiso 1 1 calc GR . . . .
H17B H 0.838908 0.216527 0.462950 0.078 Uiso 1 1 calc GR . . . .
H17C H 0.916301 0.335264 0.459184 0.078 Uiso 1 1 calc GR . . . .
C27 C 0.4242(13) 0.9141(11) 0.2164(11) 0.060(4) Uani 1 1 d . U . . .
H27A H 0.360195 0.909642 0.161143 0.091 Uiso 1 1 calc GR . . . .
H27B H 0.473572 0.988793 0.263758 0.091 Uiso 1 1 calc GR . . . .
H27C H 0.386463 0.865160 0.250946 0.091 Uiso 1 1 calc GR . . . .
C8 C 0.2528(12) 0.6325(10) 0.2292(9) 0.040(3) Uani 1 1 d . . . . .
C20 C 0.9806(12) 0.8519(11) 0.3461(9) 0.047(3) Uani 1 1 d . U . . .
H20 H 1.051282 0.915139 0.394776 0.057 Uiso 1 1 calc R . . . .
C13 C 0.4224(12) 0.1389(11) 0.4215(10) 0.054(4) Uani 1 1 d . . . . .
H13A H 0.427351 0.187326 0.481905 0.081 Uiso 1 1 calc GR . . . .
H13B H 0.436218 0.081479 0.437562 0.081 Uiso 1 1 calc GR . . . .
H13C H 0.341239 0.106216 0.369737 0.081 Uiso 1 1 calc GR . . . .
C21 C 0.9843(12) 0.8135(11) 0.2514(11) 0.046(4) Uani 1 1 d . . . . .
C33 C 0.9558(12) 0.5022(12) 0.3009(10) 0.053(4) Uani 1 1 d . . . . .
H33A H 0.959741 0.498532 0.234094 0.079 Uiso 1 1 calc GR . . . .
H33B H 0.911741 0.428513 0.302175 0.079 Uiso 1 1 calc GR . . . .
H33C H 1.038928 0.540245 0.350879 0.079 Uiso 1 1 calc GR . . . .
C25 C 0.6278(13) 0.9492(11) 0.2121(10) 0.051(4) Uani 1 1 d . . . . .
H25 H 0.660963 1.011930 0.269362 0.062 Uiso 1 1 calc R . . . .
C22 C 1.0935(12) 0.8842(12) 0.2285(12) 0.068(5) Uani 1 1 d . . . . .
H22A H 1.124348 0.839598 0.198097 0.102 Uiso 1 1 calc GR . . . .
H22B H 1.157947 0.941161 0.290783 0.102 Uiso 1 1 calc GR . . . .
H22C H 1.068938 0.917729 0.181840 0.102 Uiso 1 1 calc GR . . . .
C18 C 0.8899(14) 0.8467(12) 0.4804(10) 0.075(5) Uani 1 1 d . . . . .
H18A H 0.830420 0.871666 0.481212 0.113 Uiso 1 1 calc GR . . . .
H18B H 0.972657 0.907697 0.519215 0.113 Uiso 1 1 calc GR . . . .
H18C H 0.873579 0.789343 0.510140 0.113 Uiso 1 1 calc GR . . . .
H15 H 0.561(10) 0.683(6) 0.208(5) 0.03(4) Uiso 1 1 d D . . . .
H16 H 0.268(3) 0.280(3) -0.042(6) 0.03(3) Uiso 1 1 d D . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Dy1 Dy2 Dy4 58.998(16) . 2_665 ?
Dy1 Dy2 Dy4 124.00(2) . . ?
Dy1 Dy2 Dy3 60.731(15) . . ?
Dy4 Dy2 Dy4 89.454(19) 2_665 . ?
Dy3 Dy2 Dy4 60.658(16) . 2_665 ?
Dy3 Dy2 Dy4 63.533(16) . . ?
O14 Dy2 Dy1 39.40(17) . . ?
O14 Dy2 Dy4 88.57(17) . . ?
O14 Dy2 Dy4 32.80(18) . 2_665 ?
O14 Dy2 Dy3 34.26(18) . . ?
O14 Dy2 O15 72.5(3) . . ?
O14 Dy2 O16 108.1(3) . 2_665 ?
O14 Dy2 O12 75.3(3) . . ?
O14 Dy2 O7 163.0(3) . . ?
O14 Dy2 O6 116.3(3) . . ?
O14 Dy2 O3 72.7(2) . 2_665 ?
O15 Dy2 Dy1 94.68(18) . . ?
O15 Dy2 Dy4 37.55(17) . . ?
O15 Dy2 Dy4 92.9(2) . 2_665 ?
O15 Dy2 Dy3 38.60(19) . . ?
O15 Dy2 O3 119.2(3) . 2_665 ?
O16 Dy2 Dy1 146.9(2) 2_665 . ?
O16 Dy2 Dy4 36.98(19) 2_665 . ?
O16 Dy2 Dy4 89.9(2) 2_665 2_665 ?
O16 Dy2 Dy3 95.67(19) 2_665 . ?
O16 Dy2 O15 74.4(3) 2_665 . ?
O16 Dy2 O3 71.2(3) 2_665 2_665 ?
O12 Dy2 Dy1 37.89(18) . . ?
O12 Dy2 Dy4 81.9(2) . 2_665 ?
O12 Dy2 Dy4 161.43(18) . . ?
O12 Dy2 Dy3 97.96(18) . . ?
O12 Dy2 O15 126.1(3) . . ?
O12 Dy2 O16 158.0(3) . 2_665 ?
O12 Dy2 O7 94.1(3) . . ?
O12 Dy2 O6 81.4(3) . . ?
O12 Dy2 O3 89.8(3) . 2_665 ?
O7 Dy2 Dy1 131.95(19) . . ?
O7 Dy2 Dy4 133.8(2) . 2_665 ?
O7 Dy2 Dy4 103.67(19) . . ?
O7 Dy2 Dy3 162.8(2) . . ?
O7 Dy2 O15 124.3(3) . . ?
O7 Dy2 O16 76.9(3) . 2_665 ?
O7 Dy2 O3 94.4(3) . 2_665 ?
O6 Dy2 Dy1 92.1(2) . . ?
O6 Dy2 Dy4 148.4(2) . 2_665 ?
O6 Dy2 Dy4 98.1(2) . . ?
O6 Dy2 Dy3 95.4(2) . . ?
O6 Dy2 O15 75.8(3) . . ?
O6 Dy2 O16 114.4(3) . 2_665 ?
O6 Dy2 O7 74.2(3) . . ?
O6 Dy2 O3 164.9(3) . 2_665 ?
O3 Dy2 Dy1 88.37(17) 2_665 . ?
O3 Dy2 Dy4 39.95(17) 2_665 2_665 ?
O3 Dy2 Dy4 94.14(17) 2_665 . ?
O3 Dy2 Dy3 97.97(17) 2_665 . ?
Dy2 Dy1 Dy3 60.729(16) . . ?
Dy4 Dy1 Dy2 61.884(16) 2_665 . ?
Dy4 Dy1 Dy3 61.606(16) 2_665 . ?
O14 Dy1 Dy2 36.55(16) . . ?
O14 Dy1 Dy4 36.30(17) . 2_665 ?
O14 Dy1 Dy3 35.53(17) . . ?
O14 Dy1 O10 64.3(2) . . ?
O14 Dy1 N1 119.4(3) . . ?
O13 Dy1 Dy2 91.50(18) . . ?
O13 Dy1 Dy4 37.61(18) . 2_665 ?
O13 Dy1 Dy3 95.60(18) . . ?
O13 Dy1 O14 73.8(2) . . ?
O13 Dy1 O12 95.0(3) . . ?
O13 Dy1 O4 99.0(3) . . ?
O13 Dy1 O5 85.6(3) . . ?
O13 Dy1 O1 134.6(3) . . ?
O13 Dy1 O10 77.8(2) . . ?
O13 Dy1 N1 163.5(3) . . ?
O12 Dy1 Dy2 37.73(18) . . ?
O12 Dy1 Dy4 84.29(18) . 2_665 ?
O12 Dy1 Dy3 97.80(18) . . ?
O12 Dy1 O14 72.4(2) . . ?
O12 Dy1 O4 149.4(3) . . ?
O12 Dy1 O5 82.0(3) . . ?
O12 Dy1 O1 96.8(3) . . ?
O12 Dy1 O10 136.4(2) . . ?
O12 Dy1 N1 80.9(3) . . ?
O4 Dy1 Dy2 165.2(2) . . ?
O4 Dy1 Dy4 122.54(19) . 2_665 ?
O4 Dy1 Dy3 107.60(19) . . ?
O4 Dy1 O14 137.7(2) . . ?
O4 Dy1 O10 73.4(2) . . ?
O4 Dy1 N1 78.0(3) . . ?
O5 Dy1 Dy2 119.17(18) . . ?
O5 Dy1 Dy4 119.47(18) . 2_665 ?
O5 Dy1 Dy3 178.83(19) . . ?
O5 Dy1 O14 145.1(2) . . ?
O5 Dy1 O4 72.3(3) . . ?
O5 Dy1 O1 139.5(3) . . ?
O5 Dy1 O10 138.8(2) . . ?
O5 Dy1 N1 78.0(3) . . ?
O1 Dy1 Dy2 72.79(18) . . ?
O1 Dy1 Dy4 100.55(18) . 2_665 ?
O1 Dy1 Dy3 39.40(18) . . ?
O1 Dy1 O14 68.5(2) . . ?
O1 Dy1 O4 92.4(3) . . ?
O1 Dy1 O10 63.7(3) . . ?
O1 Dy1 N1 61.9(3) . . ?
O10 Dy1 Dy2 98.95(15) . . ?
O10 Dy1 Dy4 63.78(15) . 2_665 ?
O10 Dy1 Dy3 41.85(16) . . ?
O10 Dy1 N1 116.1(3) . . ?
N1 Dy1 Dy2 94.73(19) . . ?
N1 Dy1 Dy4 155.2(2) . 2_665 ?
N1 Dy1 Dy3 100.8(2) . . ?
Dy2 Dy4 Dy2 90.546(19) 2_665 . ?
Dy2 Dy4 Dy3 63.288(16) 2_665 . ?
Dy2 Dy4 Dy3 56.922(15) . . ?
Dy2 Dy4 Dy3 59.430(16) 2_665 2_665 ?
Dy1 Dy4 Dy2 124.73(2) 2_665 . ?
Dy1 Dy4 Dy2 59.119(16) 2_665 2_665 ?
Dy1 Dy4 Dy3 122.33(2) 2_665 . ?
Dy1 Dy4 Dy3 60.334(16) 2_665 2_665 ?
Dy3 Dy4 Dy2 64.485(16) 2_665 . ?
Dy3 Dy4 Dy3 93.122(18) 2_665 . ?
O14 Dy4 Dy2 33.02(17) 2_665 2_665 ?
O14 Dy4 Dy2 89.48(17) 2_665 . ?
O14 Dy4 Dy1 39.41(17) 2_665 2_665 ?
O14 Dy4 Dy3 89.83(17) 2_665 . ?
O14 Dy4 Dy3 33.02(18) 2_665 2_665 ?
O14 Dy4 O15 111.6(3) 2_665 . ?
O14 Dy4 O16 70.9(3) 2_665 2_665 ?
O14 Dy4 O13 77.1(3) 2_665 2_665 ?
O14 Dy4 O8 130.3(3) 2_665 . ?
O14 Dy4 O9 149.6(3) 2_665 . ?
O14 Dy4 O3 72.7(2) 2_665 . ?
O15 Dy4 Dy2 93.7(2) . 2_665 ?
O15 Dy4 Dy2 37.19(19) . . ?
O15 Dy4 Dy1 150.7(2) . 2_665 ?
O15 Dy4 Dy3 97.6(2) . 2_665 ?
O15 Dy4 Dy3 33.66(19) . . ?
O15 Dy4 O3 74.4(3) . . ?
O16 Dy4 Dy2 36.45(16) 2_665 . ?
O16 Dy4 Dy2 90.7(2) 2_665 2_665 ?
O16 Dy4 Dy1 94.41(17) 2_665 2_665 ?
O16 Dy4 Dy3 38.27(19) 2_665 2_665 ?
O16 Dy4 Dy3 88.94(17) 2_665 . ?
O16 Dy4 O15 73.5(2) 2_665 . ?
O16 Dy4 O3 116.8(3) 2_665 . ?
O13 Dy4 Dy2 155.44(18) 2_665 . ?
O13 Dy4 Dy2 89.2(2) 2_665 2_665 ?
O13 Dy4 Dy1 37.8(2) 2_665 2_665 ?
O13 Dy4 Dy3 94.60(19) 2_665 2_665 ?
O13 Dy4 Dy3 141.83(19) 2_665 . ?
O13 Dy4 O15 167.2(3) 2_665 . ?
O13 Dy4 O16 119.0(2) 2_665 2_665 ?
O13 Dy4 O8 92.3(3) 2_665 . ?
O13 Dy4 O9 85.2(3) 2_665 . ?
O13 Dy4 O3 100.4(2) 2_665 . ?
O8 Dy4 Dy2 161.8(2) . 2_665 ?
O8 Dy4 Dy2 80.68(19) . . ?
O8 Dy4 Dy1 113.49(19) . 2_665 ?
O8 Dy4 Dy3 102.4(2) . 2_665 ?
O8 Dy4 Dy3 122.28(19) . . ?
O8 Dy4 O15 88.9(3) . . ?
O8 Dy4 O16 72.8(3) . 2_665 ?
O8 Dy4 O3 156.2(3) . . ?
O9 Dy4 Dy2 114.89(19) . . ?
O9 Dy4 Dy2 123.9(2) . 2_665 ?
O9 Dy4 Dy1 120.38(19) . 2_665 ?
O9 Dy4 Dy3 176.7(2) . 2_665 ?
O9 Dy4 Dy3 89.06(18) . . ?
O9 Dy4 O15 82.8(3) . . ?
O9 Dy4 O16 139.4(3) . 2_665 ?
O9 Dy4 O8 74.3(3) . . ?
O9 Dy4 O3 86.7(3) . . ?
O3 Dy4 Dy2 39.78(17) . 2_665 ?
O3 Dy4 Dy2 94.96(17) . . ?
O3 Dy4 Dy1 88.34(16) . 2_665 ?
O3 Dy4 Dy3 96.61(17) . 2_665 ?
O3 Dy4 Dy3 41.52(17) . . ?
Dy2 Dy3 Dy1 58.540(16) . . ?
Dy2 Dy3 Dy4 59.912(16) . 2_665 ?
Dy1 Dy3 Dy4 58.060(16) . 2_665 ?
O14 Dy3 Dy2 33.85(18) . . ?
O14 Dy3 Dy1 37.80(16) . . ?
O14 Dy3 Dy4 32.42(17) . 2_665 ?
O14 Dy3 O15 72.6(3) . . ?
O14 Dy3 O16 70.4(2) . . ?
O14 Dy3 O11 139.8(3) . . ?
O14 Dy3 O3 107.5(2) . . ?
O14 Dy3 O2 151.0(2) . . ?
O14 Dy3 O1 69.3(3) . . ?
O14 Dy3 O10 70.2(2) . . ?
O14 Dy3 N3 121.0(3) . . ?
O15 Dy3 Dy2 39.0(2) . . ?
O15 Dy3 Dy1 92.99(19) . . ?
O15 Dy3 Dy4 92.5(2) . 2_665 ?
O15 Dy3 O16 109.1(3) . . ?
O15 Dy3 O3 70.6(2) . . ?
O15 Dy3 O2 78.9(3) . . ?
O15 Dy3 O1 85.8(3) . . ?
O15 Dy3 O10 139.5(3) . . ?
O15 Dy3 N3 78.3(3) . . ?
O16 Dy3 Dy2 91.24(19) . . ?
O16 Dy3 Dy1 92.32(17) . . ?
O16 Dy3 Dy4 38.35(18) . 2_665 ?
O16 Dy3 O3 66.5(2) . . ?
O16 Dy3 O2 116.1(2) . . ?
O16 Dy3 O1 129.9(3) . . ?
O16 Dy3 O10 72.4(2) . . ?
O16 Dy3 N3 168.4(3) . . ?
O11 Dy3 Dy2 173.7(2) . . ?
O11 Dy3 Dy1 116.79(19) . . ?
O11 Dy3 Dy4 114.4(2) . 2_665 ?
O11 Dy3 O15 147.1(3) . . ?
O11 Dy3 O16 84.6(3) . . ?
O11 Dy3 O3 89.4(2) . . ?
O11 Dy3 O2 68.3(3) . . ?
O11 Dy3 O1 108.6(3) . . ?
O11 Dy3 O10 72.6(3) . . ?
O11 Dy3 N3 84.5(3) . . ?
O3 Dy3 Dy2 93.29(15) . . ?
O3 Dy3 Dy1 145.29(15) . . ?
O3 Dy3 Dy4 91.38(15) . 2_665 ?
O3 Dy3 O2 57.1(2) . . ?
O3 Dy3 N3 109.3(3) . . ?
O2 Dy3 Dy2 117.87(16) . . ?
O2 Dy3 Dy1 151.54(16) . . ?
O2 Dy3 Dy4 148.43(15) . 2_665 ?
O2 Dy3 N3 55.5(3) . . ?
O1 Dy3 Dy2 70.54(19) . . ?
O1 Dy3 Dy1 38.1(2) . . ?
O1 Dy3 Dy4 95.7(2) . 2_665 ?
O1 Dy3 O3 155.6(3) . . ?
O1 Dy3 O2 113.6(2) . . ?
O1 Dy3 O10 66.7(3) . . ?
O1 Dy3 N3 58.2(3) . . ?
O10 Dy3 Dy2 101.67(17) . . ?
O10 Dy3 Dy1 47.06(17) . . ?
O10 Dy3 Dy4 63.05(17) . 2_665 ?
O10 Dy3 O3 136.4(2) . . ?
O10 Dy3 O2 138.5(2) . . ?
O10 Dy3 N3 108.0(3) . . ?
N3 Dy3 Dy2 99.9(2) . . ?
N3 Dy3 Dy1 96.3(2) . . ?
N3 Dy3 Dy4 152.6(2) . 2_665 ?
Dy2 O14 Dy1 104.1(3) . . ?
Dy2 O14 Dy3 111.9(3) . . ?
Dy4 O14 Dy2 114.2(3) 2_665 . ?
Dy4 O14 Dy1 104.3(3) 2_665 . ?
Dy4 O14 Dy3 114.6(3) 2_665 . ?
Dy3 O14 Dy1 106.7(3) . . ?
Dy2 O15 Dy4 105.3(3) . . ?
Dy2 O15 H15 114(8) . . ?
Dy4 O15 H15 111(8) . . ?
Dy3 O15 Dy2 102.4(3) . . ?
Dy3 O15 Dy4 112.0(3) . . ?
Dy3 O15 H15 112(8) . . ?
Dy2 O16 Dy4 106.6(3) 2_665 2_665 ?
Dy2 O16 Dy3 116.3(3) 2_665 . ?
Dy2 O16 H16 105(5) 2_665 . ?
Dy4 O16 H16 103(4) 2_665 . ?
Dy3 O16 Dy4 103.4(3) . 2_665 ?
Dy3 O16 H16 121(8) . . ?
Dy4 O13 Dy1 104.5(3) 2_665 . ?
C36 O13 Dy1 126.4(6) . . ?
C36 O13 Dy4 129.0(7) . 2_665 ?
C24 O8 Dy4 134.5(8) . . ?
Dy2 O12 Dy1 104.4(3) . . ?
C34 O12 Dy2 122.5(7) . . ?
C34 O12 Dy1 129.6(6) . . ?
C14 O4 Dy1 138.5(8) . . ?
C21 O7 Dy2 133.7(8) . . ?
C31 O11 Dy3 135.7(8) . . ?
C19 O6 Dy2 135.8(9) . . ?
C26 O9 Dy4 135.5(8) . . ?
C16 O5 Dy1 139.9(8) . . ?
Dy2 O3 Dy4 100.3(2) 2_665 . ?
Dy2 O3 Dy3 104.5(3) 2_665 . ?
Dy4 O3 Dy3 101.5(3) . . ?
C12 O3 Dy2 110.8(6) . 2_665 ?
C12 O3 Dy4 117.8(6) . . ?
C12 O3 Dy3 119.5(6) . . ?
C11 O2 Dy3 122.4(7) . . ?
C11 O2 C8 106.0(9) . . ?
C8 O2 Dy3 127.6(7) . . ?
Dy1 O1 Dy3 102.5(3) . . ?
C6 O1 Dy1 131.3(7) . . ?
C6 O1 Dy3 125.4(7) . . ?
Dy3 O10 Dy1 91.1(2) . . ?
C29 O10 Dy1 138.3(7) . . ?
C29 O10 Dy3 130.2(7) . . ?
N2 N3 Dy3 122.9(9) . . ?
C7 N3 Dy3 126.0(8) . . ?
C7 N3 N2 110.9(11) . . ?
C10 C9 H9 126.1 . . ?
C8 C9 H9 126.1 . . ?
C8 C9 C10 107.7(11) . . ?
C5 N1 Dy1 115.4(7) . . ?
C1 N1 Dy1 126.6(8) . . ?
C1 N1 C5 118.0(10) . . ?
O8 C24 C23 116.2(11) . . ?
O8 C24 C25 123.7(12) . . ?
C25 C24 C23 120.0(12) . . ?
O11 C31 C30 125.8(11) . . ?
O11 C31 C32 116.7(12) . . ?
C30 C31 C32 117.5(11) . . ?
N3 N2 C6 105.5(10) . . ?
O12 C34 H34A 108.9 . . ?
O12 C34 H34B 108.9 . . ?
O12 C34 C33 113.4(11) . . ?
H34A C34 H34B 107.7 . . ?
C33 C34 H34A 108.9 . . ?
C33 C34 H34B 108.9 . . ?
O1 C6 N2 127.0(11) . . ?
O1 C6 C5 115.7(10) . . ?
N2 C6 C5 117.2(11) . . ?
O5 C16 C15 121.8(11) . . ?
O5 C16 C17 119.0(11) . . ?
C15 C16 C17 119.2(10) . . ?
N3 C7 H7 121.7 . . ?
N3 C7 C8 116.6(12) . . ?
C8 C7 H7 121.7 . . ?
N1 C5 C6 115.6(10) . . ?
N1 C5 C4 121.6(11) . . ?
C4 C5 C6 122.8(12) . . ?
O2 C11 C12 114.2(10) . . ?
C10 C11 O2 109.0(10) . . ?
C10 C11 C12 136.8(11) . . ?
O13 C36 H36A 109.3 . . ?
O13 C36 H36B 109.3 . . ?
O13 C36 C35 111.8(10) . . ?
H36A C36 H36B 107.9 . . ?
C35 C36 H36A 109.3 . . ?
C35 C36 H36B 109.3 . . ?
O10 C29 C30 124.1(11) . . ?
O10 C29 C28 117.8(10) . . ?
C30 C29 C28 118.1(11) . . ?
O9 C26 C27 115.4(12) . . ?
O9 C26 C25 123.5(12) . . ?
C25 C26 C27 121.1(13) . . ?
C31 C30 C29 124.6(11) . . ?
C31 C30 H30 117.7 . . ?
C29 C30 H30 117.7 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.4(13) . . ?
C4 C3 H3 119.8 . . ?
O4 C14 C15 121.7(12) . . ?
O4 C14 C13 118.3(11) . . ?
C15 C14 C13 119.8(11) . . ?
O3 C12 H12A 109.2 . . ?
O3 C12 H12B 109.2 . . ?
C11 C12 O3 112.2(9) . . ?
C11 C12 H12A 109.2 . . ?
C11 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C36 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
C36 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N1 C1 H1 118.3 . . ?
N1 C1 C2 123.4(12) . . ?
C2 C1 H1 118.3 . . ?
C9 C10 H10 126.5 . . ?
C11 C10 C9 107.1(11) . . ?
C11 C10 H10 126.5 . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C3 C2 C1 117.4(13) . . ?
C3 C2 H2 121.3 . . ?
C1 C2 H2 121.3 . . ?
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 . . ?
C5 C4 H4 120.4 . . ?
C3 C4 C5 119.2(12) . . ?
C3 C4 H4 120.4 . . ?
C16 C15 H15A 117.1 . . ?
C14 C15 C16 125.8(11) . . ?
C14 C15 H15A 117.1 . . ?
O6 C19 C20 124.3(12) . . ?
O6 C19 C18 117.0(12) . . ?
C20 C19 C18 118.7(12) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O2 C8 C7 110.1(11) . . ?
C9 C8 O2 110.2(10) . . ?
C9 C8 C7 139.7(12) . . ?
C19 C20 H20 118.1 . . ?
C19 C20 C21 123.8(12) . . ?
C21 C20 H20 118.1 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O7 C21 C20 126.0(12) . . ?
O7 C21 C22 116.4(13) . . ?
C20 C21 C22 117.6(13) . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C24 C25 H25 116.6 . . ?
C26 C25 C24 126.8(13) . . ?
C26 C25 H25 116.6 . . ?
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 . . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
C19 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
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
Dy2 Dy1 3.6024(8) . ?
Dy2 Dy4 3.7900(8) . ?
Dy2 Dy4 3.7022(9) 2_665 ?
Dy2 Dy3 3.6840(8) . ?
Dy2 O14 2.212(7) . ?
Dy2 O15 2.374(8) . ?
Dy2 O16 2.349(7) 2_665 ?
Dy2 O12 2.276(7) . ?
Dy2 O7 2.332(8) . ?
Dy2 O6 2.303(8) . ?
Dy2 O3 2.407(7) 2_665 ?
Dy1 Dy4 3.5979(8) 2_665 ?
Dy1 Dy3 3.6841(8) . ?
Dy1 O14 2.357(6) . ?
Dy1 O13 2.281(8) . ?
Dy1 O12 2.284(7) . ?
Dy1 O4 2.341(7) . ?
Dy1 O5 2.313(7) . ?
Dy1 O1 2.326(8) . ?
Dy1 O10 2.697(7) . ?
Dy1 N1 2.707(9) . ?
Dy4 Dy3 3.7297(8) 2_665 ?
Dy4 Dy3 3.9358(8) . ?
Dy4 O14 2.198(7) 2_665 ?
Dy4 O15 2.394(7) . ?
Dy4 O16 2.379(8) 2_665 ?
Dy4 O13 2.268(7) 2_665 ?
Dy4 O8 2.316(8) . ?
Dy4 O9 2.308(8) . ?
Dy4 O3 2.416(7) . ?
Dy3 O14 2.235(7) . ?
Dy3 O15 2.353(8) . ?
Dy3 O16 2.375(8) . ?
Dy3 O11 2.292(7) . ?
Dy3 O3 2.662(7) . ?
Dy3 O2 2.694(7) . ?
Dy3 O1 2.396(7) . ?
Dy3 O10 2.458(7) . ?
Dy3 N3 2.722(11) . ?
O15 H15 0.82(2) . ?
O16 H16 0.81(2) . ?
O13 C36 1.398(12) . ?
O8 C24 1.264(14) . ?
O12 C34 1.410(12) . ?
O4 C14 1.286(13) . ?
O7 C21 1.253(15) . ?
O11 C31 1.271(13) . ?
O6 C19 1.240(14) . ?
O9 C26 1.270(14) . ?
O5 C16 1.267(12) . ?
O3 C12 1.445(13) . ?
O2 C11 1.371(12) . ?
O2 C8 1.387(13) . ?
O1 C6 1.308(13) . ?
O10 C29 1.282(13) . ?
N3 N2 1.340(13) . ?
N3 C7 1.331(15) . ?
C9 H9 0.9500 . ?
C9 C10 1.406(15) . ?
C9 C8 1.310(16) . ?
N1 C5 1.347(14) . ?
N1 C1 1.329(14) . ?
C24 C23 1.502(16) . ?
C24 C25 1.391(17) . ?
C31 C30 1.396(16) . ?
C31 C32 1.492(15) . ?
N2 C6 1.344(15) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C33 1.476(17) . ?
C6 C5 1.459(15) . ?
C16 C15 1.431(16) . ?
C16 C17 1.489(16) . ?
C7 H7 0.9500 . ?
C7 C8 1.442(16) . ?
C5 C4 1.373(16) . ?
C11 C12 1.442(16) . ?
C11 C10 1.352(16) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C35 1.499(15) . ?
C29 C30 1.411(15) . ?
C29 C28 1.504(16) . ?
C26 C27 1.475(17) . ?
C26 C25 1.376(17) . ?
C30 H30 0.9500 . ?
C3 H3 0.9500 . ?
C3 C2 1.354(18) . ?
C3 C4 1.373(17) . ?
C14 C15 1.421(16) . ?
C14 C13 1.483(17) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C1 H1 0.9500 . ?
C1 C2 1.390(16) . ?
C10 H10 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C2 H2 0.9500 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C4 H4 0.9500 . ?
C15 H15A 0.9500 . ?
C19 C20 1.400(18) . ?
C19 C18 1.519(17) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C20 H20 0.9500 . ?
C20 C21 1.402(18) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C21 C22 1.515(16) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C25 H25 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
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
Dy2 O12 C34 C33 -118.3(10) . . . . ?
Dy2 O7 C21 C20 9(2) . . . . ?
Dy2 O7 C21 C22 -169.3(9) . . . . ?
Dy2 O6 C19 C20 19(2) . . . . ?
Dy2 O6 C19 C18 -162.7(10) . . . . ?
Dy2 O3 C12 C11 158.4(8) 2_665 . . . ?
Dy1 O13 C36 C35 -95.8(10) . . . . ?
Dy1 O12 C34 C33 86.1(11) . . . . ?
Dy1 O4 C14 C15 2.5(19) . . . . ?
Dy1 O4 C14 C13 176.7(8) . . . . ?
Dy1 O5 C16 C15 1.2(18) . . . . ?
Dy1 O5 C16 C17 -178.4(8) . . . . ?
Dy1 O1 C6 N2 -179.5(8) . . . . ?
Dy1 O1 C6 C5 -1.8(15) . . . . ?
Dy1 O10 C29 C30 167.7(7) . . . . ?
Dy1 O10 C29 C28 -10.8(15) . . . . ?
Dy1 N1 C5 C6 -4.7(12) . . . . ?
Dy1 N1 C5 C4 178.7(9) . . . . ?
Dy1 N1 C1 C2 -177.8(9) . . . . ?
Dy4 O13 C36 C35 88.2(11) 2_665 . . . ?
Dy4 O8 C24 C23 165.6(8) . . . . ?
Dy4 O8 C24 C25 -12.5(18) . . . . ?
Dy4 O9 C26 C27 -179.8(8) . . . . ?
Dy4 O9 C26 C25 0.0(19) . . . . ?
Dy4 O3 C12 C11 -87.1(10) . . . . ?
Dy3 O11 C31 C30 14.1(17) . . . . ?
Dy3 O11 C31 C32 -168.3(8) . . . . ?
Dy3 O3 C12 C11 36.8(12) . . . . ?
Dy3 O2 C11 C12 -22.4(13) . . . . ?
Dy3 O2 C11 C10 159.2(8) . . . . ?
Dy3 O2 C8 C9 -156.5(8) . . . . ?
Dy3 O2 C8 C7 21.8(14) . . . . ?
Dy3 O1 C6 N2 12.2(16) . . . . ?
Dy3 O1 C6 C5 -170.1(7) . . . . ?
Dy3 O10 C29 C30 -22.6(15) . . . . ?
Dy3 O10 C29 C28 158.9(7) . . . . ?
Dy3 N3 N2 C6 -2.3(12) . . . . ?
Dy3 N3 C7 C8 -10.4(16) . . . . ?
O8 C24 C25 C26 -2(2) . . . . ?
O4 C14 C15 C16 -4.0(19) . . . . ?
O11 C31 C30 C29 7.1(18) . . . . ?
O6 C19 C20 C21 -7(2) . . . . ?
O9 C26 C25 C24 8(2) . . . . ?
O5 C16 C15 C14 2.4(19) . . . . ?
O2 C11 C12 O3 -9.0(14) . . . . ?
O2 C11 C10 C9 -1.2(13) . . . . ?
O1 C6 C5 N1 4.4(15) . . . . ?
O1 C6 C5 C4 -179.0(11) . . . . ?
O10 C29 C30 C31 -1.1(17) . . . . ?
N3 N2 C6 O1 -5.5(16) . . . . ?
N3 N2 C6 C5 176.8(9) . . . . ?
N3 C7 C8 O2 -6.3(16) . . . . ?
N3 C7 C8 C9 171.2(15) . . . . ?
N1 C5 C4 C3 -0.7(18) . . . . ?
N1 C1 C2 C3 -0.4(19) . . . . ?
N2 N3 C7 C8 174.7(10) . . . . ?
N2 C6 C5 N1 -177.7(10) . . . . ?
N2 C6 C5 C4 -1.1(17) . . . . ?
C6 C5 C4 C3 -177.1(11) . . . . ?
C7 N3 N2 C6 172.8(10) . . . . ?
C5 N1 C1 C2 -0.3(17) . . . . ?
C11 O2 C8 C9 1.0(13) . . . . ?
C11 O2 C8 C7 179.3(10) . . . . ?
C12 C11 C10 C9 -179.1(14) . . . . ?
C1 N1 C5 C6 177.5(10) . . . . ?
C1 N1 C5 C4 0.9(17) . . . . ?
C10 C9 C8 O2 -1.7(14) . . . . ?
C10 C9 C8 C7 -179.3(16) . . . . ?
C10 C11 C12 O3 168.9(13) . . . . ?
C23 C24 C25 C26 179.8(13) . . . . ?
C28 C29 C30 C31 177.4(10) . . . . ?
C2 C3 C4 C5 -0.1(19) . . . . ?
C32 C31 C30 C29 -170.5(10) . . . . ?
C4 C3 C2 C1 0.6(19) . . . . ?
C19 C20 C21 O7 -7(2) . . . . ?
C19 C20 C21 C22 171.5(13) . . . . ?
C17 C16 C15 C14 -178.0(12) . . . . ?
C27 C26 C25 C24 -171.8(13) . . . . ?
C8 O2 C11 C12 178.6(10) . . . . ?
C8 O2 C11 C10 0.2(13) . . . . ?
C8 C9 C10 C11 1.8(14) . . . . ?
C13 C14 C15 C16 -178.2(12) . . . . ?
C18 C19 C20 C21 175.2(13) . . . . ?
