#------------------------------------------------------------------------------
#$Date: 2021-07-05 19:08:40 +0200 (lun 05 de jul de 2021) $
#$Revision: 267115 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/27/7242718.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_7242718
loop_
_publ_author_name
'Shen, Nan'
'Liang, Jing'
'Qu, Xiaoni'
'Liu, Sha'
'Zhu, Lin'
'Zhang, Sheng'
'Chen, Ling'
'Zhang, Jiangwei'
'Hu, Dengwei'
'Yin, Bing'
_publ_section_title
;
 The influence of organic bases and substituted groups on coordination
 structures affording two mononuclear Dy(iii) single-molecule magnets
 (SMMs) and a novel Dy(iii)--K(i) compound with unusually coordinated
 fluorine atoms
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              4013
_journal_page_last               4027
_journal_paper_doi               10.1039/D1CE00431J
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C102 H68 Dy2 F18 N8 O12'
_chemical_formula_weight         2264.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-04-23 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.257(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   45.840(2)
_cell_length_b                   19.6673(6)
_cell_length_c                   25.2882(11)
_cell_measurement_reflns_used    6542
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      67.9920
_cell_measurement_theta_min      3.5400
_cell_volume                     20619.1(15)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_av_unetI/netI     0.0763
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            35746
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.243
_diffrn_reflns_theta_max         67.243
_diffrn_reflns_theta_min         3.417
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    8.482
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.18123
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_description       block
_exptl_crystal_F_000             9008
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.044
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       0.000046(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1286
_refine_ls_number_reflns         18421
_refine_ls_number_restraints     4053
_refine_ls_restrained_S_all      0.925
_refine_ls_R_factor_all          0.1350
_refine_ls_R_factor_gt           0.0845
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2448
_refine_ls_wR_factor_ref         0.3027
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10375
_reflns_number_total             18421
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00431j2.cif
_cod_data_source_block           exp_8490_sq
_cod_depositor_comments
'Adding full bibliography for 7242716--7242718.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7242718
_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_min   0.550
_shelx_estimated_absorpt_t_max   0.588
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Dy1 Dy 0.61526(2) 0.61637(3) 0.10918(2) 0.0712(2) Uani 1 1 d . U . . .
F7 F 0.6367(2) 0.5943(6) -0.0668(4) 0.156(3) Uani 1 1 d . U . . .
F8 F 0.6829(2) 0.5747(5) -0.0001(4) 0.139(3) Uani 1 1 d . U . . .
F9 F 0.6565(3) 0.4920(5) -0.0530(4) 0.150(3) Uani 1 1 d . U . . .
O1 O 0.62833(18) 0.5880(4) 0.2047(3) 0.0883(17) Uani 1 1 d . U . . .
O2 O 0.59405(17) 0.6991(4) 0.1480(3) 0.0859(16) Uani 1 1 d . U . . .
O3 O 0.57759(17) 0.6718(4) 0.0289(3) 0.0932(19) Uani 1 1 d . U . . .
O4 O 0.56576(16) 0.5710(4) 0.0937(3) 0.0938(18) Uani 1 1 d . U . . .
O5 O 0.63270(17) 0.5916(4) 0.0358(3) 0.0862(17) Uani 1 1 d . U . . .
O6 O 0.61921(17) 0.4997(4) 0.1050(3) 0.0837(17) Uani 1 1 d . U . . .
N1 N 0.67763(18) 0.6086(4) 0.1585(3) 0.0718(17) Uani 1 1 d . U . . .
N2 N 0.64588(19) 0.7275(4) 0.1183(4) 0.0778(18) Uani 1 1 d . U . . .
N3 N 0.7794(2) 0.7240(5) 0.2256(3) 0.0807(19) Uani 1 1 d . U . . .
N4 N 0.7465(2) 0.8476(5) 0.1919(4) 0.086(2) Uani 1 1 d . U . . .
C2 C 0.6161(3) 0.6048(7) 0.2383(6) 0.107(3) Uani 1 1 d . U . . .
C3 C 0.5958(3) 0.6569(7) 0.2348(6) 0.114(3) Uani 1 1 d . U . . .
H3 H 0.587611 0.659878 0.262557 0.137 Uiso 1 1 calc R U . . .
C4 C 0.5867(3) 0.7077(6) 0.1894(5) 0.092(2) Uani 1 1 d . U . . .
C5 C 0.5669(3) 0.7654(7) 0.1886(5) 0.096(3) Uani 1 1 d . U . . .
C6 C 0.5600(3) 0.7845(7) 0.2358(6) 0.111(3) Uani 1 1 d . U . . .
H6 H 0.568194 0.759139 0.270138 0.134 Uiso 1 1 calc R U . . .
C7 C 0.5409(3) 0.8416(7) 0.2308(6) 0.117(3) Uani 1 1 d . U . . .
H7 H 0.536259 0.852895 0.262104 0.140 Uiso 1 1 calc R U . . .
C8 C 0.5289(3) 0.8811(7) 0.1825(7) 0.110(3) Uani 1 1 d . U . . .
C9 C 0.5362(3) 0.8646(7) 0.1386(7) 0.111(3) Uani 1 1 d . U . . .
H9 H 0.528865 0.891707 0.105265 0.133 Uiso 1 1 calc R U . . .
C10 C 0.5550(3) 0.8066(7) 0.1418(6) 0.109(3) Uani 1 1 d . U . . .
H10 H 0.559416 0.796433 0.110063 0.131 Uiso 1 1 calc R U . . .
C11 C 0.5072(4) 0.9402(8) 0.1786(7) 0.132(5) Uani 1 1 d . U . . .
H11A H 0.510720 0.976099 0.156331 0.198 Uiso 1 1 calc R U . . .
H11B H 0.511933 0.956304 0.217286 0.198 Uiso 1 1 calc R U . . .
H11C H 0.485097 0.925763 0.159879 0.198 Uiso 1 1 calc R U . . .
C13 C 0.5469(3) 0.6769(7) 0.0100(6) 0.101(3) Uani 1 1 d . U . . .
C14 C 0.5267(3) 0.6419(7) 0.0252(6) 0.108(3) Uani 1 1 d . U . . .
H14 H 0.505009 0.653762 0.008309 0.129 Uiso 1 1 calc R U . . .
C15 C 0.5367(3) 0.5881(7) 0.0655(6) 0.097(3) Uani 1 1 d . U . . .
C16 C 0.5129(3) 0.5473(7) 0.0776(6) 0.101(3) Uani 1 1 d . U . . .
C17 C 0.5236(3) 0.5066(8) 0.1264(7) 0.114(3) Uani 1 1 d . U . . .
H17 H 0.545325 0.507299 0.152113 0.137 Uiso 1 1 calc R U . . .
C18 C 0.5023(3) 0.4635(8) 0.1388(7) 0.120(4) Uani 1 1 d . U . . .
H18 H 0.510067 0.435206 0.171340 0.144 Uiso 1 1 calc R U . . .
C19 C 0.4698(3) 0.4648(8) 0.1009(7) 0.119(4) Uani 1 1 d . U . . .
C20 C 0.4597(3) 0.5074(9) 0.0549(7) 0.127(4) Uani 1 1 d . U . . .
H20 H 0.437761 0.510228 0.030598 0.152 Uiso 1 1 calc R U . . .
C21 C 0.4805(3) 0.5460(8) 0.0432(7) 0.116(3) Uani 1 1 d . U . . .
H21 H 0.472285 0.573189 0.009918 0.140 Uiso 1 1 calc R U . . .
C22 C 0.4454(4) 0.4239(10) 0.1146(8) 0.153(6) Uani 1 1 d . U . . .
H22A H 0.423937 0.434101 0.085996 0.230 Uiso 1 1 calc R U . . .
H22B H 0.447364 0.435894 0.152757 0.230 Uiso 1 1 calc R U . . .
H22C H 0.449525 0.376247 0.113459 0.230 Uiso 1 1 calc R U . . .
C23 C 0.6527(4) 0.5488(8) -0.0278(6) 0.108(3) Uani 1 1 d . U . . .
C24 C 0.6388(3) 0.5362(6) 0.0180(5) 0.082(2) Uani 1 1 d . U . . .
C25 C 0.6342(3) 0.4716(6) 0.0302(5) 0.091(2) Uani 1 1 d . U . . .
H25 H 0.639059 0.436328 0.010820 0.109 Uiso 1 1 calc R U . . .
C26 C 0.6220(2) 0.4556(6) 0.0720(5) 0.081(2) Uani 1 1 d . U . . .
C27 C 0.6111(3) 0.3861(6) 0.0757(5) 0.085(2) Uani 1 1 d . U . . .
C28 C 0.6233(3) 0.3283(6) 0.0630(5) 0.097(3) Uani 1 1 d . U . . .
H28 H 0.639818 0.331818 0.051099 0.116 Uiso 1 1 calc R U . . .
C29 C 0.6119(3) 0.2656(7) 0.0671(6) 0.106(3) Uani 1 1 d . U . . .
H29 H 0.619970 0.227266 0.056476 0.128 Uiso 1 1 calc R U . . .
C30 C 0.5880(3) 0.2587(7) 0.0873(6) 0.106(3) Uani 1 1 d . U . . .
C31 C 0.5760(3) 0.3140(6) 0.1003(5) 0.095(3) Uani 1 1 d . U . . .
H31 H 0.559501 0.310098 0.112254 0.115 Uiso 1 1 calc R U . . .
C32 C 0.5878(3) 0.3778(6) 0.0961(5) 0.091(3) Uani 1 1 d . U . . .
H32 H 0.579861 0.415911 0.107396 0.109 Uiso 1 1 calc R U . . .
C33 C 0.5768(4) 0.1879(8) 0.0917(8) 0.148(5) Uani 1 1 d . U . . .
H33A H 0.555629 0.180896 0.061084 0.221 Uiso 1 1 calc R U . . .
H33B H 0.576307 0.182180 0.128970 0.221 Uiso 1 1 calc R U . . .
H33C H 0.591455 0.155427 0.087834 0.221 Uiso 1 1 calc R U . . .
C34 C 0.6304(3) 0.7861(5) 0.1018(5) 0.084(2) Uani 1 1 d . U . . .
H34 H 0.607982 0.784776 0.083604 0.101 Uiso 1 1 calc R U . . .
C35 C 0.6446(3) 0.8472(6) 0.1093(5) 0.095(3) Uani 1 1 d . U . . .
H35 H 0.632271 0.886565 0.097084 0.114 Uiso 1 1 calc R U . . .
C36 C 0.6782(3) 0.8504(6) 0.1357(5) 0.087(2) Uani 1 1 d . U . . .
H36 H 0.688675 0.891854 0.139930 0.104 Uiso 1 1 calc R U . . .
C37 C 0.6954(2) 0.7922(5) 0.1554(4) 0.076(2) Uani 1 1 d . U . . .
C38 C 0.6780(2) 0.7299(5) 0.1451(4) 0.0709(19) Uani 1 1 d . U . . .
C39 C 0.6954(2) 0.6663(5) 0.1653(4) 0.0715(19) Uani 1 1 d . U . . .
C40 C 0.7291(2) 0.6640(5) 0.1909(4) 0.073(2) Uani 1 1 d . U . . .
C41 C 0.7446(3) 0.6009(5) 0.2086(4) 0.080(2) Uani 1 1 d . U . . .
H41 H 0.766965 0.597235 0.225701 0.096 Uiso 1 1 calc R U . . .
C42 C 0.7253(3) 0.5451(6) 0.1995(5) 0.085(3) Uani 1 1 d . U . . .
H42 H 0.734522 0.502174 0.209253 0.102 Uiso 1 1 calc R U . . .
C43 C 0.6932(2) 0.5518(6) 0.1766(4) 0.080(2) Uani 1 1 d . U . . .
H43 H 0.681118 0.512742 0.173376 0.097 Uiso 1 1 calc R U . . .
C44 C 0.7467(2) 0.7274(5) 0.1999(4) 0.076(2) Uani 1 1 d . U . . .
C45 C 0.7313(2) 0.7910(6) 0.1837(4) 0.078(2) Uani 1 1 d . U . . .
C46 C 0.7793(3) 0.8449(6) 0.2165(4) 0.086(2) Uani 1 1 d . U . . .
C47 C 0.7964(3) 0.9091(7) 0.2256(5) 0.101(3) Uani 1 1 d . U . . .
H47 H 0.785777 0.950561 0.214242 0.121 Uiso 1 1 calc R U . . .
C48 C 0.8297(3) 0.9041(8) 0.2523(6) 0.111(3) Uani 1 1 d . U . . .
H48 H 0.841795 0.943862 0.259208 0.134 Uiso 1 1 calc R U . . .
C49 C 0.8459(3) 0.8427(8) 0.2692(6) 0.111(3) Uani 1 1 d . U . . .
H49 H 0.868365 0.842576 0.287764 0.133 Uiso 1 1 calc R U . . .
C50 C 0.8294(3) 0.7815(7) 0.2589(5) 0.101(3) Uani 1 1 d . U . . .
H50 H 0.840475 0.740451 0.268642 0.121 Uiso 1 1 calc R U . . .
C51 C 0.7949(3) 0.7829(6) 0.2329(4) 0.086(2) Uani 1 1 d . U . . .
Dy2 Dy 0.65405(2) 0.02341(3) 0.98907(3) 0.0816(2) Uani 1 1 d . U . . .
F10 F 0.6900(3) -0.0043(5) 1.2132(4) 0.155(3) Uani 1 1 d . U . . .
F11 F 0.6394(2) 0.0031(5) 1.1629(4) 0.150(3) Uani 1 1 d . U . . .
F12 F 0.6662(2) 0.0861(4) 1.2144(4) 0.132(3) Uani 1 1 d . U . . .
F13 F 0.5695(3) -0.0627(7) 1.0434(6) 0.215(5) Uani 1 1 d D U . . .
F14 F 0.5492(4) -0.0761(8) 0.9597(7) 0.256(6) Uani 1 1 d D U . . .
F15 F 0.5321(3) -0.0065(7) 0.9922(6) 0.207(5) Uani 1 1 d D U . . .
F16 F 0.5801(3) -0.0193(8) 0.7420(6) 0.218(5) Uani 1 1 d . U . . .
F17 F 0.5909(4) -0.0923(9) 0.7999(7) 0.266(7) Uani 1 1 d . U . . .
F18 F 0.5611(4) -0.0337(9) 0.8052(7) 0.233(6) Uani 1 1 d . U . . .
O7 O 0.6679(2) 0.0151(4) 1.0909(3) 0.0952(18) Uani 1 1 d . U . . .
O8 O 0.68341(18) 0.1190(4) 1.0356(3) 0.0855(17) Uani 1 1 d . U . . .
O9 O 0.6084(2) -0.0117(4) 1.0000(4) 0.105(2) Uani 1 1 d . U . . .
O10 O 0.61806(19) 0.1124(4) 0.9592(4) 0.103(2) Uani 1 1 d . U . . .
O11 O 0.6211(2) -0.0164(5) 0.8963(4) 0.114(2) Uani 1 1 d . U . . .
O12 O 0.67102(19) 0.0726(4) 0.9231(3) 0.0992(19) Uani 1 1 d . U . . .
N5 N 0.7118(2) -0.0196(4) 1.0248(4) 0.0794(19) Uani 1 1 d . U . . .
N6 N 0.6608(2) -0.1051(5) 0.9919(4) 0.085(2) Uani 1 1 d . U . . .
N7 N 0.7856(2) -0.2087(5) 1.0940(4) 0.086(2) Uani 1 1 d . U . . .
N8 N 0.7322(2) -0.2985(5) 1.0571(4) 0.085(2) Uani 1 1 d . U . . .
C52 C 0.6648(4) 0.0385(7) 1.1774(6) 0.106(3) Uani 1 1 d . U . . .
C53 C 0.6712(3) 0.0625(6) 1.1268(5) 0.087(2) Uani 1 1 d . U . . .
C54 C 0.6809(3) 0.1275(6) 1.1260(5) 0.090(2) Uani 1 1 d . U . . .
H54 H 0.683507 0.156425 1.156809 0.108 Uiso 1 1 calc R U . . .
C55 C 0.6870(3) 0.1518(6) 1.0805(5) 0.087(2) Uani 1 1 d . U . . .
C56 C 0.6984(3) 0.2261(5) 1.0829(5) 0.085(2) Uani 1 1 d . U . . .
C57 C 0.7117(3) 0.2636(6) 1.1328(5) 0.102(3) Uani 1 1 d . U . . .
H57 H 0.713541 0.245218 1.167970 0.123 Uiso 1 1 calc R U . . .
C58 C 0.7218(4) 0.3250(6) 1.1315(6) 0.106(3) Uani 1 1 d . U . . .
H58 H 0.730839 0.348358 1.166829 0.127 Uiso 1 1 calc R U . . .
C59 C 0.7205(4) 0.3583(6) 1.0835(6) 0.107(3) Uani 1 1 d . U . . .
C60 C 0.7054(4) 0.3203(7) 1.0305(6) 0.111(3) Uani 1 1 d . U . . .
H60 H 0.702256 0.340188 0.995053 0.133 Uiso 1 1 calc R U . . .
C61 C 0.6958(3) 0.2565(6) 1.0315(5) 0.099(3) Uani 1 1 d . U . . .
H61 H 0.687107 0.231659 0.996933 0.118 Uiso 1 1 calc R U . . .
C62 C 0.7320(4) 0.4299(7) 1.0820(8) 0.136(5) Uani 1 1 d . U . . .
H62A H 0.739333 0.433558 1.051870 0.203 Uiso 1 1 calc R U . . .
H62B H 0.749336 0.440676 1.119134 0.203 Uiso 1 1 calc R U . . .
H62C H 0.714484 0.461156 1.074157 0.203 Uiso 1 1 calc R U . . .
C63 C 0.5595(4) -0.0254(10) 1.0062(10) 0.143(5) Uani 1 1 d . U . . .
C64 C 0.5817(3) 0.0136(7) 0.9873(6) 0.107(3) Uani 1 1 d . U . . .
C65 C 0.5708(3) 0.0775(8) 0.9639(7) 0.117(3) Uani 1 1 d . U . . .
H65 H 0.550154 0.090363 0.958084 0.140 Uiso 1 1 calc R U . . .
C66 C 0.5895(3) 0.1249(7) 0.9483(6) 0.104(3) Uani 1 1 d . U . . .
C67 C 0.5767(3) 0.1930(7) 0.9215(6) 0.106(3) Uani 1 1 d . U . . .
C68 C 0.5451(4) 0.2110(8) 0.9082(7) 0.128(4) Uani 1 1 d . U . . .
H68 H 0.531837 0.182582 0.917900 0.154 Uiso 1 1 calc R U . . .
C69 C 0.5336(4) 0.2732(8) 0.8797(8) 0.136(4) Uani 1 1 d . U . . .
H69 H 0.512474 0.286312 0.870763 0.163 Uiso 1 1 calc R U . . .
C70 C 0.5528(4) 0.3149(8) 0.8649(8) 0.129(4) Uani 1 1 d . U . . .
C71 C 0.5842(4) 0.2973(8) 0.8826(7) 0.124(4) Uani 1 1 d . U . . .
H71 H 0.598387 0.327188 0.877167 0.149 Uiso 1 1 calc R U . . .
C72 C 0.5951(4) 0.2341(8) 0.9090(6) 0.117(3) Uani 1 1 d . U . . .
H72 H 0.616231 0.221140 0.917980 0.141 Uiso 1 1 calc R U . . .
C73 C 0.5395(5) 0.3783(9) 0.8339(9) 0.163(6) Uani 1 1 d . U . . .
H73A H 0.555047 0.414104 0.850388 0.244 Uiso 1 1 calc R U . . .
H73B H 0.520150 0.389558 0.837735 0.244 Uiso 1 1 calc R U . . .
H73C H 0.534743 0.372986 0.793303 0.244 Uiso 1 1 calc R U . . .
C74 C 0.5868(5) -0.0296(11) 0.7981(9) 0.144(5) Uani 1 1 d . U . . .
C75 C 0.6138(3) 0.0062(8) 0.8439(7) 0.117(3) Uani 1 1 d . U . . .
C76 C 0.6286(4) 0.0610(8) 0.8299(6) 0.124(3) Uani 1 1 d . U . . .
H76 H 0.619497 0.076552 0.791495 0.148 Uiso 1 1 calc R U . . .
C77 C 0.6563(3) 0.0941(7) 0.8699(6) 0.117(3) Uani 1 1 d D U . . .
C78 C 0.6710(3) 0.1539(6) 0.8538(5) 0.135(4) Uani 1 1 d D U . . .
C79 C 0.6585(3) 0.1792(7) 0.7984(5) 0.147(4) Uani 1 1 d D U . . .
H79 H 0.641594 0.156904 0.768474 0.176 Uiso 1 1 calc R U . . .
C80 C 0.6711(4) 0.2386(7) 0.7871(5) 0.173(5) Uani 1 1 d D U . . .
H80 H 0.662313 0.256349 0.749459 0.207 Uiso 1 1 calc R U . . .
C81 C 0.6961(4) 0.2713(8) 0.8300(6) 0.176(5) Uani 1 1 d D U . . .
C82 C 0.7089(4) 0.2451(8) 0.8858(5) 0.165(5) Uani 1 1 d D U . . .
H82 H 0.725569 0.267479 0.916074 0.198 Uiso 1 1 calc R U . . .
C83 C 0.6966(3) 0.1853(7) 0.8963(5) 0.140(4) Uani 1 1 d D U . . .
H83 H 0.706058 0.165974 0.933404 0.167 Uiso 1 1 calc R U . . .
C84 C 0.7092(5) 0.3403(8) 0.8208(8) 0.199(8) Uani 1 1 d D U . . .
H84A H 0.698427 0.353050 0.780342 0.299 Uiso 1 1 calc R U . . .
H84B H 0.731977 0.336525 0.831837 0.299 Uiso 1 1 calc R U . . .
H84C H 0.705484 0.374289 0.844421 0.299 Uiso 1 1 calc R U . . .
C85 C 0.7375(3) 0.0212(6) 1.0405(5) 0.085(2) Uani 1 1 d . U . . .
H85 H 0.733548 0.067496 1.034100 0.102 Uiso 1 1 calc R U . . .
C86 C 0.7690(3) 0.0010(6) 1.0650(5) 0.090(3) Uani 1 1 d . U . . .
H86 H 0.785646 0.032496 1.074461 0.107 Uiso 1 1 calc R U . . .
C87 C 0.7755(3) -0.0677(6) 1.0753(5) 0.081(2) Uani 1 1 d . U . . .
H87 H 0.796654 -0.083358 1.092742 0.098 Uiso 1 1 calc R U . . .
C88 C 0.7501(2) -0.1124(5) 1.0593(4) 0.075(2) Uani 1 1 d . U . . .
C89 C 0.7185(2) -0.0872(5) 1.0349(4) 0.0732(19) Uani 1 1 d . U . . .
C90 C 0.6910(2) -0.1343(5) 1.0159(4) 0.075(2) Uani 1 1 d . U . . .
C91 C 0.6953(2) -0.2032(6) 1.0221(4) 0.080(2) Uani 1 1 d . U . . .
C92 C 0.6688(3) -0.2439(6) 1.0022(5) 0.089(3) Uani 1 1 d . U . . .
H92 H 0.671165 -0.290840 1.005757 0.106 Uiso 1 1 calc R U . . .
C93 C 0.6392(3) -0.2164(6) 0.9775(5) 0.093(3) Uani 1 1 d . U . . .
H93 H 0.621087 -0.244409 0.963806 0.112 Uiso 1 1 calc R U . . .
C94 C 0.6354(3) -0.1470(6) 0.9722(5) 0.087(2) Uani 1 1 d . U . . .
H94 H 0.614763 -0.128780 0.954573 0.104 Uiso 1 1 calc R U . . .
C95 C 0.7544(2) -0.1864(5) 1.0673(4) 0.075(2) Uani 1 1 d . U . . .
C96 C 0.7288(3) -0.2303(6) 1.0493(4) 0.079(2) Uani 1 1 d . U . . .
C97 C 0.7897(3) -0.2776(6) 1.1010(5) 0.089(2) Uani 1 1 d . U . . .
C98 C 0.8208(3) -0.3047(7) 1.1287(5) 0.101(3) Uani 1 1 d . U . . .
H98 H 0.838627 -0.275989 1.140967 0.122 Uiso 1 1 calc R U . . .
C99 C 0.8251(4) -0.3731(7) 1.1377(6) 0.111(3) Uani 1 1 d . U . . .
H99 H 0.845742 -0.391045 1.156290 0.133 Uiso 1 1 calc R U . . .
C100 C 0.7990(4) -0.4147(8) 1.1194(5) 0.112(3) Uani 1 1 d . U . . .
H100 H 0.802354 -0.461187 1.125938 0.134 Uiso 1 1 calc R U . . .
C101 C 0.7688(3) -0.3917(7) 1.0923(5) 0.100(3) Uani 1 1 d . U . . .
H101 H 0.751685 -0.422336 1.079484 0.119 Uiso 1 1 calc R U . . .
C102 C 0.7625(3) -0.3208(6) 1.0830(4) 0.088(2) Uani 1 1 d . U . . .
F1 F 0.6522(3) 0.5370(6) 0.3154(4) 0.191(5) Uani 1 1 d . U . . .
F4 F 0.5088(3) 0.7193(7) -0.0781(6) 0.240(6) Uani 1 1 d . U . . .
F3 F 0.6072(4) 0.5604(7) 0.3206(6) 0.211(4) Uani 1 1 d . U . . .
F5 F 0.5516(3) 0.7629(7) -0.0511(7) 0.224(5) Uani 1 1 d . U . . .
C12 C 0.5336(4) 0.7296(9) -0.0378(8) 0.131(4) Uani 1 1 d . U . . .
F2 F 0.6101(4) 0.4937(8) 0.2681(7) 0.205(5) Uani 1 1 d . U . . .
C1 C 0.6261(5) 0.5550(10) 0.2918(8) 0.135(4) Uani 1 1 d . U . . .
F6 F 0.5217(4) 0.7827(7) -0.0174(6) 0.220(5) Uani 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 0.0181 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'
O O 0.0492 0.0322 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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 Dy1 O3 143.5(3) . . ?
O1 Dy1 O6 79.4(3) . . ?
O3 Dy1 O6 118.3(3) . . ?
O1 Dy1 O4 83.2(3) . . ?
O3 Dy1 O4 73.8(3) . . ?
O6 Dy1 O4 72.5(3) . . ?
O1 Dy1 O2 72.1(2) . . ?
O3 Dy1 O2 75.4(3) . . ?
O6 Dy1 O2 140.6(3) . . ?
O4 Dy1 O2 77.5(3) . . ?
O1 Dy1 O5 138.8(2) . . ?
O3 Dy1 O5 77.5(3) . . ?
O6 Dy1 O5 72.6(3) . . ?
O4 Dy1 O5 115.1(3) . . ?
O2 Dy1 O5 145.2(3) . . ?
O1 Dy1 N2 103.1(3) . . ?
O3 Dy1 N2 81.4(3) . . ?
O6 Dy1 N2 143.5(3) . . ?
O4 Dy1 N2 143.9(3) . . ?
O2 Dy1 N2 71.0(3) . . ?
O5 Dy1 N2 83.7(3) . . ?
O1 Dy1 N1 74.9(3) . . ?
O3 Dy1 N1 135.4(3) . . ?
O6 Dy1 N1 82.6(2) . . ?
O4 Dy1 N1 149.4(3) . . ?
O2 Dy1 N1 114.4(3) . . ?
O5 Dy1 N1 72.1(3) . . ?
N2 Dy1 N1 63.7(2) . . ?
C2 O1 Dy1 131.4(7) . . ?
C4 O2 Dy1 140.1(8) . . ?
C13 O3 Dy1 131.1(8) . . ?
C15 O4 Dy1 135.9(8) . . ?
C24 O5 Dy1 131.5(7) . . ?
C26 O6 Dy1 138.9(7) . . ?
C43 N1 C39 117.5(8) . . ?
C43 N1 Dy1 123.3(7) . . ?
C39 N1 Dy1 119.2(6) . . ?
C34 N2 C38 117.2(9) . . ?
C34 N2 Dy1 121.1(7) . . ?
C38 N2 Dy1 121.4(6) . . ?
C51 N3 C44 116.0(9) . . ?
C45 N4 C46 117.3(10) . . ?
O1 C2 C3 130.5(12) . . ?
O1 C2 C1 111.8(11) . . ?
C3 C2 C1 117.7(13) . . ?
C2 C3 C4 122.1(13) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
O2 C4 C3 119.0(11) . . ?
O2 C4 C5 119.3(11) . . ?
C3 C4 C5 121.4(11) . . ?
C10 C5 C6 115.7(12) . . ?
C10 C5 C4 120.1(11) . . ?
C6 C5 C4 124.2(11) . . ?
C7 C6 C5 119.7(13) . . ?
C7 C6 H6 120.1 . . ?
C5 C6 H6 120.2 . . ?
C8 C7 C6 122.8(14) . . ?
C8 C7 H7 118.6 . . ?
C6 C7 H7 118.6 . . ?
C9 C8 C7 117.7(13) . . ?
C9 C8 C11 122.0(14) . . ?
C7 C8 C11 120.3(14) . . ?
C8 C9 C10 120.9(14) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
C5 C10 C9 123.2(13) . . ?
C5 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C13 C14 129.6(12) . . ?
O3 C13 C12 111.0(12) . . ?
C14 C13 C12 119.3(12) . . ?
C13 C14 C15 123.2(12) . . ?
C13 C14 H14 118.4 . . ?
C15 C14 H14 118.4 . . ?
O4 C15 C14 123.3(11) . . ?
O4 C15 C16 115.5(11) . . ?
C14 C15 C16 121.1(11) . . ?
C21 C16 C17 115.8(13) . . ?
C21 C16 C15 125.0(12) . . ?
C17 C16 C15 119.2(11) . . ?
C16 C17 C18 122.0(12) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C19 C18 C17 118.2(14) . . ?
C19 C18 H18 120.9 . . ?
C17 C18 H18 120.9 . . ?
C20 C19 C18 118.8(14) . . ?
C20 C19 C22 120.4(14) . . ?
C18 C19 C22 120.6(15) . . ?
C19 C20 C21 121.8(14) . . ?
C19 C20 H20 119.1 . . ?
C21 C20 H20 119.1 . . ?
C20 C21 C16 123.3(14) . . ?
C20 C21 H21 118.3 . . ?
C16 C21 H21 118.3 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
F7 C23 F9 111.1(12) . . ?
F7 C23 F8 104.7(13) . . ?
F9 C23 F8 104.5(12) . . ?
F7 C23 C24 113.3(12) . . ?
F9 C23 C24 113.5(13) . . ?
F8 C23 C24 109.0(11) . . ?
O5 C24 C25 131.0(11) . . ?
O5 C24 C23 110.6(11) . . ?
C25 C24 C23 118.4(11) . . ?
C24 C25 C26 121.9(11) . . ?
C24 C25 H25 119.0 . . ?
C26 C25 H25 119.0 . . ?
O6 C26 C25 121.9(11) . . ?
O6 C26 C27 118.0(10) . . ?
C25 C26 C27 120.1(10) . . ?
C28 C27 C32 116.8(11) . . ?
C28 C27 C26 125.1(11) . . ?
C32 C27 C26 118.1(10) . . ?
C29 C28 C27 121.8(13) . . ?
C29 C28 H28 119.1 . . ?
C27 C28 H28 119.1 . . ?
C28 C29 C30 120.2(13) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C31 C30 C29 119.0(12) . . ?
C31 C30 C33 123.4(14) . . ?
C29 C30 C33 117.5(14) . . ?
C30 C31 C32 120.4(12) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C31 C32 C27 121.6(11) . . ?
C31 C32 H32 119.2 . . ?
C27 C32 H32 119.2 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N2 C34 C35 125.0(10) . . ?
N2 C34 H34 117.5 . . ?
C35 C34 H34 117.5 . . ?
C34 C35 C36 118.5(11) . . ?
C34 C35 H35 120.7 . . ?
C36 C35 H35 120.7 . . ?
C37 C36 C35 119.2(11) . . ?
C37 C36 H36 120.4 . . ?
C35 C36 H36 120.4 . . ?
C36 C37 C38 117.8(9) . . ?
C36 C37 C45 122.6(10) . . ?
C38 C37 C45 119.5(9) . . ?
N2 C38 C37 122.2(9) . . ?
N2 C38 C39 118.0(9) . . ?
C37 C38 C39 119.7(9) . . ?
N1 C39 C40 120.9(9) . . ?
N1 C39 C38 117.6(8) . . ?
C40 C39 C38 121.5(9) . . ?
C39 C40 C41 119.0(9) . . ?
C39 C40 C44 118.5(9) . . ?
C41 C40 C44 122.5(9) . . ?
C42 C41 C40 116.8(9) . . ?
C42 C41 H41 121.6 . . ?
C40 C41 H41 121.6 . . ?
C43 C42 C41 120.6(10) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
N1 C43 C42 125.1(11) . . ?
N1 C43 H43 117.5 . . ?
C42 C43 H43 117.5 . . ?
N3 C44 C45 119.8(9) . . ?
N3 C44 C40 117.4(9) . . ?
C45 C44 C40 122.8(9) . . ?
N4 C45 C44 123.6(10) . . ?
N4 C45 C37 118.6(10) . . ?
C44 C45 C37 117.8(9) . . ?
N4 C46 C51 120.1(10) . . ?
N4 C46 C47 117.1(11) . . ?
C51 C46 C47 122.8(11) . . ?
C48 C47 C46 115.1(13) . . ?
C48 C47 H47 122.4 . . ?
C46 C47 H47 122.4 . . ?
C49 C48 C47 123.1(13) . . ?
C49 C48 H48 118.4 . . ?
C47 C48 H48 118.4 . . ?
C48 C49 C50 121.3(13) . . ?
C48 C49 H49 119.4 . . ?
C50 C49 H49 119.4 . . ?
C49 C50 C51 118.6(13) . . ?
C49 C50 H50 120.7 . . ?
C51 C50 H50 120.7 . . ?
N3 C51 C46 123.2(10) . . ?
N3 C51 C50 117.9(11) . . ?
C46 C51 C50 118.9(11) . . ?
O10 Dy2 O11 81.8(3) . . ?
O10 Dy2 O8 74.3(3) . . ?
O11 Dy2 O8 140.7(3) . . ?
O10 Dy2 O12 82.0(3) . . ?
O11 Dy2 O12 71.9(3) . . ?
O8 Dy2 O12 74.2(3) . . ?
O10 Dy2 O9 73.2(3) . . ?
O11 Dy2 O9 77.8(3) . . ?
O8 Dy2 O9 122.5(3) . . ?
O12 Dy2 O9 143.1(3) . . ?
O10 Dy2 O7 103.4(3) . . ?
O11 Dy2 O7 146.1(3) . . ?
O8 Dy2 O7 71.2(3) . . ?
O12 Dy2 O7 141.8(3) . . ?
O9 Dy2 O7 72.0(3) . . ?
O10 Dy2 N6 145.7(3) . . ?
O11 Dy2 N6 73.2(3) . . ?
O8 Dy2 N6 139.0(3) . . ?
O12 Dy2 N6 111.1(3) . . ?
O9 Dy2 N6 78.8(3) . . ?
O7 Dy2 N6 85.9(3) . . ?
O10 Dy2 N5 149.3(3) . . ?
O11 Dy2 N5 112.1(3) . . ?
O8 Dy2 N5 78.4(3) . . ?
O12 Dy2 N5 77.2(3) . . ?
O9 Dy2 N5 135.2(3) . . ?
O7 Dy2 N5 80.6(3) . . ?
N6 Dy2 N5 64.2(3) . . ?
C53 O7 Dy2 128.3(7) . . ?
C55 O8 Dy2 134.4(7) . . ?
C64 O9 Dy2 133.9(9) . . ?
C66 O10 Dy2 139.8(9) . . ?
C75 O11 Dy2 133.6(10) . . ?
C77 O12 Dy2 134.1(8) . . ?
C85 N5 C89 115.5(9) . . ?
C85 N5 Dy2 123.8(7) . . ?
C89 N5 Dy2 120.4(7) . . ?
C94 N6 C90 117.2(10) . . ?
C94 N6 Dy2 121.8(7) . . ?
C90 N6 Dy2 120.9(7) . . ?
C95 N7 C97 115.9(10) . . ?
C102 N8 C96 115.3(10) . . ?
F11 C52 F12 111.1(13) . . ?
F11 C52 F10 104.9(13) . . ?
F12 C52 F10 101.1(11) . . ?
F11 C52 C53 114.4(12) . . ?
F12 C52 C53 114.7(12) . . ?
F10 C52 C53 109.2(12) . . ?
O7 C53 C54 128.7(11) . . ?
O7 C53 C52 111.8(11) . . ?
C54 C53 C52 119.4(11) . . ?
C53 C54 C55 121.4(11) . . ?
C53 C54 H54 119.3 . . ?
C55 C54 H54 119.3 . . ?
O8 C55 C54 125.6(11) . . ?
O8 C55 C56 115.8(10) . . ?
C54 C55 C56 118.6(10) . . ?
C57 C56 C61 117.4(11) . . ?
C57 C56 C55 124.1(10) . . ?
C61 C56 C55 118.5(10) . . ?
C58 C57 C56 120.3(12) . . ?
C58 C57 H57 119.9 . . ?
C56 C57 H57 119.9 . . ?
C57 C58 C59 126.2(13) . . ?
C57 C58 H58 116.9 . . ?
C59 C58 H58 116.9 . . ?
C58 C59 C60 114.0(12) . . ?
C58 C59 C62 126.1(13) . . ?
C60 C59 C62 119.9(13) . . ?
C61 C60 C59 120.3(13) . . ?
C61 C60 H60 119.9 . . ?
C59 C60 H60 119.9 . . ?
C60 C61 C56 121.8(12) . . ?
C60 C61 H61 119.1 . . ?
C56 C61 H61 119.1 . . ?
C59 C62 H62A 109.5 . . ?
C59 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C59 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
F13 C63 F15 117(2) . . ?
F13 C63 F14 95.9(16) . . ?
F15 C63 F14 92.0(14) . . ?
F13 C63 C64 120.6(17) . . ?
F15 C63 C64 120.6(16) . . ?
F14 C63 C64 97.1(17) . . ?
O9 C64 C65 127.9(13) . . ?
O9 C64 C63 116.2(13) . . ?
C65 C64 C63 115.4(14) . . ?
C64 C65 C66 124.0(13) . . ?
C64 C65 H65 118.0 . . ?
C66 C65 H65 118.0 . . ?
O10 C66 C65 120.6(12) . . ?
O10 C66 C67 116.7(13) . . ?
C65 C66 C67 122.7(12) . . ?
C72 C67 C68 120.1(14) . . ?
C72 C67 C66 119.6(13) . . ?
C68 C67 C66 120.2(14) . . ?
C67 C68 C69 118.1(16) . . ?
C67 C68 H68 120.9 . . ?
C69 C68 H68 120.9 . . ?
C70 C69 C68 121.3(16) . . ?
C70 C69 H69 119.4 . . ?
C68 C69 H69 119.4 . . ?
C71 C70 C69 118.2(15) . . ?
C71 C70 C73 122.2(18) . . ?
C69 C70 C73 119.4(16) . . ?
C70 C71 C72 119.9(16) . . ?
C70 C71 H71 120.1 . . ?
C72 C71 H71 120.1 . . ?
C67 C72 C71 122.0(15) . . ?
C67 C72 H72 119.0 . . ?
C71 C72 H72 119.0 . . ?
C70 C73 H73A 109.5 . . ?
C70 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C70 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
F17 C74 F18 94(2) . . ?
F17 C74 F16 98.8(19) . . ?
F18 C74 F16 110.6(17) . . ?
F17 C74 C75 112.6(16) . . ?
F18 C74 C75 116(2) . . ?
F16 C74 C75 120(2) . . ?
O11 C75 C76 125.5(14) . . ?
O11 C75 C74 113.9(17) . . ?
C76 C75 C74 120.6(16) . . ?
C77 C76 C75 124.3(13) . . ?
C77 C76 H76 117.8 . . ?
C75 C76 H76 117.8 . . ?
O12 C77 C76 120.6(12) . . ?
O12 C77 C78 116.5(11) . . ?
C76 C77 C78 122.9(13) . . ?
C83 C78 C79 119.5(7) . . ?
C83 C78 C77 118.6(10) . . ?
C79 C78 C77 121.8(10) . . ?
C78 C79 C80 119.3(7) . . ?
C78 C79 H79 120.3 . . ?
C80 C79 H79 120.3 . . ?
C81 C80 C79 121.3(7) . . ?
C81 C80 H80 119.4 . . ?
C79 C80 H80 119.4 . . ?
C80 C81 C82 119.1(7) . . ?
C80 C81 C84 123.2(12) . . ?
C82 C81 C84 117.5(12) . . ?
C81 C82 C83 119.1(7) . . ?
C81 C82 H82 120.4 . . ?
C83 C82 H82 120.4 . . ?
C78 C83 C82 121.5(7) . . ?
C78 C83 H83 119.3 . . ?
C82 C83 H83 119.3 . . ?
C81 C84 H84A 109.5 . . ?
C81 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C81 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
N5 C85 C86 126.0(11) . . ?
N5 C85 H85 117.0 . . ?
C86 C85 H85 117.0 . . ?
C85 C86 C87 117.9(11) . . ?
C85 C86 H86 121.0 . . ?
C87 C86 H86 121.0 . . ?
C88 C87 C86 118.8(10) . . ?
C88 C87 H87 120.6 . . ?
C86 C87 H87 120.6 . . ?
C87 C88 C89 119.3(10) . . ?
C87 C88 C95 123.0(9) . . ?
C89 C88 C95 117.7(9) . . ?
N5 C89 C88 122.3(9) . . ?
N5 C89 C90 117.5(9) . . ?
C88 C89 C90 120.1(10) . . ?
C91 C90 N6 122.1(10) . . ?
C91 C90 C89 121.6(9) . . ?
N6 C90 C89 116.2(9) . . ?
C90 C91 C92 118.5(10) . . ?
C90 C91 C96 118.6(10) . . ?
C92 C91 C96 122.9(11) . . ?
C93 C92 C91 120.2(11) . . ?
C93 C92 H92 119.9 . . ?
C91 C92 H92 119.9 . . ?
C92 C93 C94 120.2(11) . . ?
C92 C93 H93 119.9 . . ?
C94 C93 H93 119.9 . . ?
N6 C94 C93 121.7(11) . . ?
N6 C94 H94 119.2 . . ?
C93 C94 H94 119.2 . . ?
C96 C95 N7 122.0(10) . . ?
C96 C95 C88 122.1(9) . . ?
N7 C95 C88 115.9(9) . . ?
N8 C96 C95 123.1(10) . . ?
N8 C96 C91 117.0(10) . . ?
C95 C96 C91 119.8(10) . . ?
N7 C97 C98 119.6(12) . . ?
N7 C97 C102 120.2(10) . . ?
C98 C97 C102 120.1(12) . . ?
C99 C98 C97 120.1(14) . . ?
C99 C98 H98 120.0 . . ?
C97 C98 H98 120.0 . . ?
C100 C99 C98 119.8(14) . . ?
C100 C99 H99 120.1 . . ?
C98 C99 H99 120.1 . . ?
C101 C100 C99 122.7(15) . . ?
C101 C100 H100 118.6 . . ?
C99 C100 H100 118.6 . . ?
C100 C101 C102 120.5(14) . . ?
C100 C101 H101 119.8 . . ?
C102 C101 H101 119.7 . . ?
N8 C102 C101 119.8(12) . . ?
N8 C102 C97 123.4(11) . . ?
C101 C102 C97 116.7(11) . . ?
F4 C12 F5 111.9(19) . . ?
F4 C12 F6 93.8(15) . . ?
F5 C12 F6 96.9(16) . . ?
F4 C12 C13 119.3(16) . . ?
F5 C12 C13 120.1(14) . . ?
F6 C12 C13 108.1(16) . . ?
F1 C1 F3 120.7(18) . . ?
F1 C1 F2 101.3(17) . . ?
F3 C1 F2 87.6(17) . . ?
F1 C1 C2 119.9(18) . . ?
F3 C1 C2 113.4(15) . . ?
F2 C1 C2 105.1(16) . . ?
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
Dy1 O1 2.296(7) . ?
Dy1 O3 2.302(7) . ?
Dy1 O6 2.308(8) . ?
Dy1 O4 2.311(7) . ?
Dy1 O2 2.318(7) . ?
Dy1 O5 2.364(7) . ?
Dy1 N2 2.554(8) . ?
Dy1 N1 2.590(7) . ?
F7 C23 1.301(17) . ?
F8 C23 1.358(15) . ?
F9 C23 1.334(15) . ?
O1 C2 1.244(14) . ?
O2 C4 1.240(12) . ?
O3 C13 1.280(13) . ?
O4 C15 1.260(12) . ?
O5 C24 1.256(12) . ?
O6 C26 1.247(12) . ?
N1 C43 1.299(12) . ?
N1 C39 1.365(12) . ?
N2 C34 1.324(13) . ?
N2 C38 1.334(12) . ?
N3 C51 1.329(13) . ?
N3 C44 1.359(12) . ?
N4 C45 1.282(13) . ?
N4 C46 1.359(14) . ?
C2 C3 1.361(17) . ?
C2 C1 1.57(2) . ?
C3 C4 1.443(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.448(16) . ?
C5 C10 1.342(16) . ?
C5 C6 1.409(16) . ?
C6 C7 1.396(17) . ?
C6 H6 0.9300 . ?
C7 C8 1.352(19) . ?
C7 H7 0.9300 . ?
C8 C9 1.330(19) . ?
C8 C11 1.506(17) . ?
C9 C10 1.410(17) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C13 C14 1.337(17) . ?
C13 C12 1.509(19) . ?
C14 C15 1.403(17) . ?
C14 H14 0.9300 . ?
C15 C16 1.486(17) . ?
C16 C21 1.366(16) . ?
C16 C17 1.373(18) . ?
C17 C18 1.423(18) . ?
C17 H17 0.9300 . ?
C18 C19 1.386(18) . ?
C18 H18 0.9300 . ?
C19 C20 1.34(2) . ?
C19 C22 1.53(2) . ?
C20 C21 1.346(19) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.561(17) . ?
C24 C25 1.346(15) . ?
C25 C26 1.426(16) . ?
C25 H25 0.9300 . ?
C26 C27 1.473(15) . ?
C27 C28 1.365(15) . ?
C27 C32 1.377(16) . ?
C28 C29 1.360(17) . ?
C28 H28 0.9300 . ?
C29 C30 1.395(19) . ?
C29 H29 0.9300 . ?
C30 C31 1.323(17) . ?
C30 C33 1.504(18) . ?
C31 C32 1.389(16) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.340(15) . ?
C34 H34 0.9300 . ?
C35 C36 1.395(15) . ?
C35 H35 0.9300 . ?
C36 C37 1.359(14) . ?
C36 H36 0.9300 . ?
C37 C38 1.424(14) . ?
C37 C45 1.488(14) . ?
C38 C39 1.452(13) . ?
C39 C40 1.397(13) . ?
C40 C41 1.406(14) . ?
C40 C44 1.450(14) . ?
C41 C42 1.365(15) . ?
C41 H41 0.9300 . ?
C42 C43 1.337(14) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 C45 1.409(14) . ?
C46 C51 1.385(16) . ?
C46 C47 1.453(16) . ?
C47 C48 1.385(18) . ?
C47 H47 0.9300 . ?
C48 C49 1.386(19) . ?
C48 H48 0.9300 . ?
C49 C50 1.387(17) . ?
C49 H49 0.9300 . ?
C50 C51 1.429(16) . ?
C50 H50 0.9300 . ?
Dy2 O10 2.301(8) . ?
Dy2 O11 2.318(9) . ?
Dy2 O8 2.320(7) . ?
Dy2 O12 2.330(8) . ?
Dy2 O9 2.327(9) . ?
Dy2 O7 2.381(8) . ?
Dy2 N6 2.543(9) . ?
Dy2 N5 2.551(8) . ?
F10 C52 1.405(17) . ?
F11 C52 1.268(15) . ?
F12 C52 1.304(14) . ?
F13 C63 1.124(18) . ?
F14 C63 1.46(3) . ?
F15 C63 1.213(19) . ?
F16 C74 1.33(2) . ?
F17 C74 1.24(2) . ?
F18 C74 1.27(2) . ?
O7 C53 1.263(12) . ?
O8 C55 1.252(12) . ?
O9 C64 1.232(14) . ?
O10 C66 1.241(14) . ?
O11 C75 1.300(17) . ?
O12 C77 1.292(14) . ?
N5 C85 1.337(13) . ?
N5 C89 1.363(13) . ?
N6 C94 1.334(13) . ?
N6 C90 1.380(13) . ?
N7 C95 1.369(12) . ?
N7 C97 1.368(14) . ?
N8 C102 1.335(14) . ?
N8 C96 1.356(13) . ?
C52 C53 1.507(16) . ?
C53 C54 1.357(15) . ?
C54 C55 1.380(15) . ?
C54 H54 0.9300 . ?
C55 C56 1.544(15) . ?
C56 C57 1.361(15) . ?
C56 C61 1.388(15) . ?
C57 C58 1.299(16) . ?
C57 H57 0.9300 . ?
C58 C59 1.357(17) . ?
C58 H58 0.9300 . ?
C59 C60 1.430(18) . ?
C59 C62 1.510(19) . ?
C60 C61 1.335(17) . ?
C60 H60 0.9300 . ?
C61 H61 0.9300 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 C64 1.51(2) . ?
C64 C65 1.388(18) . ?
C65 C66 1.431(19) . ?
C65 H65 0.9300 . ?
C66 C67 1.501(18) . ?
C67 C72 1.303(19) . ?
C67 C68 1.389(18) . ?
C68 C69 1.40(2) . ?
C68 H68 0.9300 . ?
C69 C70 1.37(2) . ?
C69 H69 0.9300 . ?
C70 C71 1.36(2) . ?
C70 C73 1.46(2) . ?
C71 C72 1.398(19) . ?
C71 H71 0.9300 . ?
C72 H72 0.9300 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 C75 1.46(2) . ?
C75 C76 1.40(2) . ?
C76 C77 1.401(19) . ?
C76 H76 0.9300 . ?
C77 C78 1.496(9) . ?
C78 C83 1.354(8) . ?
C78 C79 1.360(8) . ?
C79 C80 1.387(8) . ?
C79 H79 0.9300 . ?
C80 C81 1.356(8) . ?
C80 H80 0.9300 . ?
C81 C82 1.377(8) . ?
C81 C84 1.542(10) . ?
C82 C83 1.378(8) . ?
C82 H82 0.9300 . ?
C83 H83 0.9300 . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 C86 1.365(15) . ?
C85 H85 0.9300 . ?
C86 C87 1.384(15) . ?
C86 H86 0.9300 . ?
C87 C88 1.376(14) . ?
C87 H87 0.9300 . ?
C88 C89 1.400(13) . ?
C88 C95 1.470(14) . ?
C89 C90 1.470(14) . ?
C90 C91 1.368(14) . ?
C91 C92 1.361(15) . ?
C91 C96 1.486(14) . ?
C92 C93 1.342(16) . ?
C92 H92 0.9300 . ?
C93 C94 1.375(15) . ?
C93 H93 0.9300 . ?
C94 H94 0.9300 . ?
C95 C96 1.370(15) . ?
C97 C98 1.400(15) . ?
C97 C102 1.412(17) . ?
C98 C99 1.364(17) . ?
C98 H98 0.9300 . ?
C99 C100 1.36(2) . ?
C99 H99 0.9300 . ?
C100 C101 1.335(17) . ?
C100 H100 0.9300 . ?
C101 C102 1.423(16) . ?
C101 H101 0.9300 . ?
F1 C1 1.14(2) . ?
F4 C12 1.174(17) . ?
F3 C1 1.355(19) . ?
F5 C12 1.212(19) . ?
C12 F6 1.38(2) . ?
F2 C1 1.41(2) . ?
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
Dy1 O1 C2 C3 -17(3) . . . . ?
Dy1 O1 C2 C1 161.7(11) . . . . ?
O1 C2 C3 C4 -5(3) . . . . ?
C1 C2 C3 C4 176.3(15) . . . . ?
Dy1 O2 C4 C3 9(2) . . . . ?
Dy1 O2 C4 C5 -165.9(8) . . . . ?
C2 C3 C4 O2 9(2) . . . . ?
C2 C3 C4 C5 -175.7(14) . . . . ?
O2 C4 C5 C10 4(2) . . . . ?
C3 C4 C5 C10 -170.7(14) . . . . ?
O2 C4 C5 C6 -172.6(13) . . . . ?
C3 C4 C5 C6 13(2) . . . . ?
C10 C5 C6 C7 2(2) . . . . ?
C4 C5 C6 C7 179.3(13) . . . . ?
C5 C6 C7 C8 -1(2) . . . . ?
C6 C7 C8 C9 -1(2) . . . . ?
C6 C7 C8 C11 177.2(14) . . . . ?
C7 C8 C9 C10 2(2) . . . . ?
C11 C8 C9 C10 -176.1(14) . . . . ?
C6 C5 C10 C9 -1(2) . . . . ?
C4 C5 C10 C9 -178.4(13) . . . . ?
C8 C9 C10 C5 -1(2) . . . . ?
Dy1 O3 C13 C14 -13(2) . . . . ?
Dy1 O3 C13 C12 169.1(10) . . . . ?
O3 C13 C14 C15 -3(3) . . . . ?
C12 C13 C14 C15 174.4(15) . . . . ?
Dy1 O4 C15 C14 11(2) . . . . ?
Dy1 O4 C15 C16 -169.3(8) . . . . ?
C13 C14 C15 O4 5(2) . . . . ?
C13 C14 C15 C16 -175.2(14) . . . . ?
O4 C15 C16 C21 -163.7(13) . . . . ?
C14 C15 C16 C21 16(2) . . . . ?
O4 C15 C16 C17 15(2) . . . . ?
C14 C15 C16 C17 -164.6(15) . . . . ?
C21 C16 C17 C18 3(2) . . . . ?
C15 C16 C17 C18 -176.4(14) . . . . ?
C16 C17 C18 C19 -2(2) . . . . ?
C17 C18 C19 C20 -1(2) . . . . ?
C17 C18 C19 C22 -175.0(15) . . . . ?
C18 C19 C20 C21 3(3) . . . . ?
C22 C19 C20 C21 177.3(16) . . . . ?
C19 C20 C21 C16 -3(3) . . . . ?
C17 C16 C21 C20 -1(2) . . . . ?
C15 C16 C21 C20 178.7(16) . . . . ?
Dy1 O5 C24 C25 8.3(18) . . . . ?
Dy1 O5 C24 C23 -174.6(7) . . . . ?
F7 C23 C24 O5 -45.3(15) . . . . ?
F9 C23 C24 O5 -173.2(11) . . . . ?
F8 C23 C24 O5 70.8(14) . . . . ?
F7 C23 C24 C25 132.2(13) . . . . ?
F9 C23 C24 C25 4.3(17) . . . . ?
F8 C23 C24 C25 -111.7(13) . . . . ?
O5 C24 C25 C26 -4(2) . . . . ?
C23 C24 C25 C26 179.2(11) . . . . ?
Dy1 O6 C26 C25 21.3(16) . . . . ?
Dy1 O6 C26 C27 -156.4(7) . . . . ?
C24 C25 C26 O6 -10.0(17) . . . . ?
C24 C25 C26 C27 167.6(10) . . . . ?
O6 C26 C27 C28 -151.8(11) . . . . ?
C25 C26 C27 C28 30.5(17) . . . . ?
O6 C26 C27 C32 25.0(15) . . . . ?
C25 C26 C27 C32 -152.7(11) . . . . ?
C32 C27 C28 C29 3.4(18) . . . . ?
C26 C27 C28 C29 -179.7(11) . . . . ?
C27 C28 C29 C30 -3(2) . . . . ?
C28 C29 C30 C31 2(2) . . . . ?
C28 C29 C30 C33 -179.1(13) . . . . ?
C29 C30 C31 C32 -2.6(19) . . . . ?
C33 C30 C31 C32 179.0(13) . . . . ?
C30 C31 C32 C27 3.4(19) . . . . ?
C28 C27 C32 C31 -3.7(18) . . . . ?
C26 C27 C32 C31 179.3(11) . . . . ?
C38 N2 C34 C35 1.0(17) . . . . ?
Dy1 N2 C34 C35 174.4(10) . . . . ?
N2 C34 C35 C36 0.8(19) . . . . ?
C34 C35 C36 C37 -2.9(18) . . . . ?
C35 C36 C37 C38 3.0(16) . . . . ?
C35 C36 C37 C45 179.6(10) . . . . ?
C34 N2 C38 C37 -0.8(14) . . . . ?
Dy1 N2 C38 C37 -174.2(7) . . . . ?
C34 N2 C38 C39 178.0(9) . . . . ?
Dy1 N2 C38 C39 4.6(12) . . . . ?
C36 C37 C38 N2 -1.2(15) . . . . ?
C45 C37 C38 N2 -177.9(9) . . . . ?
C36 C37 C38 C39 180.0(9) . . . . ?
C45 C37 C38 C39 3.4(14) . . . . ?
C43 N1 C39 C40 -0.2(14) . . . . ?
Dy1 N1 C39 C40 -179.0(7) . . . . ?
C43 N1 C39 C38 180.0(9) . . . . ?
Dy1 N1 C39 C38 1.2(11) . . . . ?
N2 C38 C39 N1 -3.8(13) . . . . ?
C37 C38 C39 N1 175.1(9) . . . . ?
N2 C38 C39 C40 176.4(9) . . . . ?
C37 C38 C39 C40 -4.7(14) . . . . ?
N1 C39 C40 C41 1.4(14) . . . . ?
C38 C39 C40 C41 -178.8(9) . . . . ?
N1 C39 C40 C44 -176.6(9) . . . . ?
C38 C39 C40 C44 3.2(14) . . . . ?
C39 C40 C41 C42 -0.2(15) . . . . ?
C44 C40 C41 C42 177.7(10) . . . . ?
C40 C41 C42 C43 -2.2(16) . . . . ?
C39 N1 C43 C42 -2.4(16) . . . . ?
Dy1 N1 C43 C42 176.3(8) . . . . ?
C41 C42 C43 N1 3.8(18) . . . . ?
C51 N3 C44 C45 -0.9(14) . . . . ?
C51 N3 C44 C40 179.5(9) . . . . ?
C39 C40 C44 N3 179.2(9) . . . . ?
C41 C40 C44 N3 1.2(14) . . . . ?
C39 C40 C44 C45 -0.4(14) . . . . ?
C41 C40 C44 C45 -178.3(10) . . . . ?
C46 N4 C45 C44 1.4(15) . . . . ?
C46 N4 C45 C37 -178.4(9) . . . . ?
N3 C44 C45 N4 -0.2(16) . . . . ?
C40 C44 C45 N4 179.3(10) . . . . ?
N3 C44 C45 C37 179.6(8) . . . . ?
C40 C44 C45 C37 -0.9(14) . . . . ?
C36 C37 C45 N4 2.7(15) . . . . ?
C38 C37 C45 N4 179.2(9) . . . . ?
C36 C37 C45 C44 -177.1(10) . . . . ?
C38 C37 C45 C44 -0.6(14) . . . . ?
C45 N4 C46 C51 -1.5(15) . . . . ?
C45 N4 C46 C47 179.8(10) . . . . ?
N4 C46 C47 C48 178.3(10) . . . . ?
C51 C46 C47 C48 -0.4(17) . . . . ?
C46 C47 C48 C49 0.3(19) . . . . ?
C47 C48 C49 C50 1(2) . . . . ?
C48 C49 C50 C51 -3(2) . . . . ?
C44 N3 C51 C46 0.9(15) . . . . ?
C44 N3 C51 C50 -179.0(9) . . . . ?
N4 C46 C51 N3 0.3(16) . . . . ?
C47 C46 C51 N3 179.0(10) . . . . ?
N4 C46 C51 C50 -179.9(10) . . . . ?
C47 C46 C51 C50 -1.2(16) . . . . ?
C49 C50 C51 N3 -177.2(11) . . . . ?
C49 C50 C51 C46 3.0(17) . . . . ?
Dy2 O7 C53 C54 -30.1(18) . . . . ?
Dy2 O7 C53 C52 153.4(9) . . . . ?
F11 C52 C53 O7 -46.5(17) . . . . ?
F12 C52 C53 O7 -176.6(12) . . . . ?
F10 C52 C53 O7 70.8(14) . . . . ?
F11 C52 C53 C54 136.6(14) . . . . ?
F12 C52 C53 C54 6.5(19) . . . . ?
F10 C52 C53 C54 -106.1(13) . . . . ?
O7 C53 C54 C55 4(2) . . . . ?
C52 C53 C54 C55 -179.8(12) . . . . ?
Dy2 O8 C55 C54 20.2(18) . . . . ?
Dy2 O8 C55 C56 -158.0(7) . . . . ?
C53 C54 C55 O8 3(2) . . . . ?
C53 C54 C55 C56 -179.2(11) . . . . ?
O8 C55 C56 C57 -161.8(12) . . . . ?
C54 C55 C56 C57 19.9(18) . . . . ?
O8 C55 C56 C61 16.3(16) . . . . ?
C54 C55 C56 C61 -162.0(11) . . . . ?
C61 C56 C57 C58 -1(2) . . . . ?
C55 C56 C57 C58 177.3(12) . . . . ?
C56 C57 C58 C59 0(2) . . . . ?
C57 C58 C59 C60 2(2) . . . . ?
C57 C58 C59 C62 179.3(15) . . . . ?
C58 C59 C60 C61 -4(2) . . . . ?
C62 C59 C60 C61 178.6(14) . . . . ?
C59 C60 C61 C56 4(2) . . . . ?
C57 C56 C61 C60 -1(2) . . . . ?
C55 C56 C61 C60 -179.4(12) . . . . ?
Dy2 O9 C64 C65 -4(3) . . . . ?
Dy2 O9 C64 C63 -175.9(12) . . . . ?
F13 C63 C64 O9 23(3) . . . . ?
F15 C63 C64 O9 -175.1(19) . . . . ?
F14 C63 C64 O9 -78.6(17) . . . . ?
F13 C63 C64 C65 -150(2) . . . . ?
F15 C63 C64 C65 12(3) . . . . ?
F14 C63 C64 C65 108.9(16) . . . . ?
O9 C64 C65 C66 3(3) . . . . ?
C63 C64 C65 C66 174.1(16) . . . . ?
Dy2 O10 C66 C65 11(2) . . . . ?
Dy2 O10 C66 C67 -171.9(9) . . . . ?
C64 C65 C66 O10 -5(2) . . . . ?
C64 C65 C66 C67 178.2(14) . . . . ?
O10 C66 C67 C72 2(2) . . . . ?
C65 C66 C67 C72 179.1(15) . . . . ?
O10 C66 C67 C68 -179.8(14) . . . . ?
C65 C66 C67 C68 -3(2) . . . . ?
C72 C67 C68 C69 2(2) . . . . ?
C66 C67 C68 C69 -175.9(14) . . . . ?
C67 C68 C69 C70 1(3) . . . . ?
C68 C69 C70 C71 -5(3) . . . . ?
C68 C69 C70 C73 178.5(17) . . . . ?
C69 C70 C71 C72 8(3) . . . . ?
C73 C70 C71 C72 -176.3(16) . . . . ?
C68 C67 C72 C71 0(2) . . . . ?
C66 C67 C72 C71 178.2(13) . . . . ?
C70 C71 C72 C67 -5(3) . . . . ?
Dy2 O11 C75 C76 9(2) . . . . ?
Dy2 O11 C75 C74 -168.7(11) . . . . ?
F17 C74 C75 O11 -54(3) . . . . ?
F18 C74 C75 O11 53(2) . . . . ?
F16 C74 C75 O11 -169.3(16) . . . . ?
F17 C74 C75 C76 129(2) . . . . ?
F18 C74 C75 C76 -125(2) . . . . ?
F16 C74 C75 C76 13(3) . . . . ?
O11 C75 C76 C77 9(3) . . . . ?
C74 C75 C76 C77 -173.9(16) . . . . ?
Dy2 O12 C77 C76 -35(2) . . . . ?
Dy2 O12 C77 C78 146.9(10) . . . . ?
C75 C76 C77 O12 4(3) . . . . ?
C75 C76 C77 C78 -178.3(15) . . . . ?
O12 C77 C78 C83 -6(2) . . . . ?
C76 C77 C78 C83 175.8(16) . . . . ?
O12 C77 C78 C79 177.2(13) . . . . ?
C76 C77 C78 C79 -1(2) . . . . ?
C83 C78 C79 C80 -3.1(16) . . . . ?
C77 C78 C79 C80 173.8(15) . . . . ?
C78 C79 C80 C81 1.1(16) . . . . ?
C79 C80 C81 C82 -1(3) . . . . ?
C79 C80 C81 C84 -175.0(16) . . . . ?
C80 C81 C82 C83 2(3) . . . . ?
C84 C81 C82 C83 176.7(19) . . . . ?
C79 C78 C83 C82 5(3) . . . . ?
C77 C78 C83 C82 -172.4(17) . . . . ?
C81 C82 C83 C78 -4(3) . . . . ?
C89 N5 C85 C86 0.1(16) . . . . ?
Dy2 N5 C85 C86 173.4(9) . . . . ?
N5 C85 C86 C87 -0.5(18) . . . . ?
C85 C86 C87 C88 1.4(16) . . . . ?
C86 C87 C88 C89 -2.0(15) . . . . ?
C86 C87 C88 C95 178.7(10) . . . . ?
C85 N5 C89 C88 -0.7(15) . . . . ?
Dy2 N5 C89 C88 -174.2(7) . . . . ?
C85 N5 C89 C90 -177.3(9) . . . . ?
Dy2 N5 C89 C90 9.1(12) . . . . ?
C87 C88 C89 N5 1.7(15) . . . . ?
C95 C88 C89 N5 -179.0(9) . . . . ?
C87 C88 C89 C90 178.2(9) . . . . ?
C95 C88 C89 C90 -2.5(14) . . . . ?
C94 N6 C90 C91 -2.7(16) . . . . ?
Dy2 N6 C90 C91 174.9(8) . . . . ?
C94 N6 C90 C89 177.4(9) . . . . ?
Dy2 N6 C90 C89 -5.0(12) . . . . ?
N5 C89 C90 C91 177.4(10) . . . . ?
C88 C89 C90 C91 0.7(15) . . . . ?
N5 C89 C90 N6 -2.7(14) . . . . ?
C88 C89 C90 N6 -179.4(9) . . . . ?
N6 C90 C91 C92 1.8(16) . . . . ?
C89 C90 C91 C92 -178.3(10) . . . . ?
N6 C90 C91 C96 -179.1(9) . . . . ?
C89 C90 C91 C96 0.8(15) . . . . ?
C90 C91 C92 C93 -0.3(17) . . . . ?
C96 C91 C92 C93 -179.4(11) . . . . ?
C91 C92 C93 C94 -0.2(19) . . . . ?
C90 N6 C94 C93 2.1(17) . . . . ?
Dy2 N6 C94 C93 -175.5(9) . . . . ?
C92 C93 C94 N6 -1(2) . . . . ?
C97 N7 C95 C96 0.7(14) . . . . ?
C97 N7 C95 C88 -179.4(9) . . . . ?
C87 C88 C95 C96 -177.7(10) . . . . ?
C89 C88 C95 C96 3.0(14) . . . . ?
C87 C88 C95 N7 2.4(15) . . . . ?
C89 C88 C95 N7 -176.9(9) . . . . ?
C102 N8 C96 C95 -1.1(15) . . . . ?
C102 N8 C96 C91 -178.4(9) . . . . ?
N7 C95 C96 N8 1.0(16) . . . . ?
C88 C95 C96 N8 -178.8(9) . . . . ?
N7 C95 C96 C91 178.3(9) . . . . ?
C88 C95 C96 C91 -1.6(15) . . . . ?
C90 C91 C96 N8 177.1(9) . . . . ?
C92 C91 C96 N8 -3.8(15) . . . . ?
C90 C91 C96 C95 -0.3(15) . . . . ?
C92 C91 C96 C95 178.7(10) . . . . ?
C95 N7 C97 C98 -179.0(10) . . . . ?
C95 N7 C97 C102 -2.3(15) . . . . ?
N7 C97 C98 C99 177.7(11) . . . . ?
C102 C97 C98 C99 1.0(18) . . . . ?
C97 C98 C99 C100 0(2) . . . . ?
C98 C99 C100 C101 0(2) . . . . ?
C99 C100 C101 C102 -2(2) . . . . ?
C96 N8 C102 C101 -178.9(9) . . . . ?
C96 N8 C102 C97 -0.5(15) . . . . ?
C100 C101 C102 N8 -178.4(11) . . . . ?
C100 C101 C102 C97 3.1(17) . . . . ?
N7 C97 C102 N8 2.3(17) . . . . ?
C98 C97 C102 N8 179.0(10) . . . . ?
N7 C97 C102 C101 -179.3(10) . . . . ?
C98 C97 C102 C101 -2.6(16) . . . . ?
O3 C13 C12 F4 141(2) . . . . ?
C14 C13 C12 F4 -37(3) . . . . ?
O3 C13 C12 F5 -4(3) . . . . ?
C14 C13 C12 F5 178.1(19) . . . . ?
O3 C13 C12 F6 -113.4(15) . . . . ?
C14 C13 C12 F6 69(2) . . . . ?
O1 C2 C1 F1 43(3) . . . . ?
C3 C2 C1 F1 -138.0(19) . . . . ?
O1 C2 C1 F3 -163.7(16) . . . . ?
C3 C2 C1 F3 15(3) . . . . ?
O1 C2 C1 F2 -69.7(18) . . . . ?
C3 C2 C1 F2 109.1(17) . . . . ?
