# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_ts20181019_sq
_database_code_depnum_ccdc_archive 'CCDC 2208977'
loop_
_audit_author_name
_audit_author_address
'Kai Wang'
;Guilin University of Technology
China
;
_audit_update_record             
;
2022-09-23 deposited with the CCDC.	2022-12-22 downloaded from the CCDC.
;
_audit_creation_date             2022-09-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C91 H67 Cl6 Dy4 N6 O27, 6(C H4 O), C2 H3 N'
_chemical_formula_sum            'C99 H94 Cl6 Dy4 N7 O33'
_chemical_formula_weight         2772.51
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 O1 N1 Cl1 Dy1'
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'
Cl Cl 0.1484 0.1585 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   29.0219(7)
_cell_length_b                   19.1466(5)
_cell_length_c                   19.2115(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.539(3)
_cell_angle_gamma                90
_cell_volume                     10495.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    21768
_cell_measurement_temperature    100.01
_cell_measurement_theta_max      28.8080
_cell_measurement_theta_min      3.4650
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.052
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.19732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5468
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0732
_diffrn_reflns_av_unetI/netI     0.0740
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            70408
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         3.335
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0233
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -11.00  45.00   1.00   20.00    --   18.63  77.00  60.00   56
  2  ω     20.00  61.00   1.00   20.00    --   18.63 -99.00-150.00   41
  3  ω    -50.00  34.00   1.00   20.00    --   18.63 -57.00  90.00   84
  4  ω     -3.00  89.00   1.00   20.00    --   18.63  77.00 -60.00   92
  5  ω    -25.00  91.00   1.00   20.00    --   18.63  19.00 -90.00  116
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0027047000
_diffrn_orient_matrix_UB_12      0.0165535000
_diffrn_orient_matrix_UB_13      0.0335603000
_diffrn_orient_matrix_UB_21      0.0017752000
_diffrn_orient_matrix_UB_22      0.0328351000
_diffrn_orient_matrix_UB_23      -0.0163423000
_diffrn_orient_matrix_UB_31      -0.0246523000
_diffrn_orient_matrix_UB_32      0.0041852000
_diffrn_orient_matrix_UB_33      -0.0044383000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15423
_reflns_number_total             20583
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         2.362
_refine_diff_density_min         -3.470
_refine_diff_density_rms         0.235
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1366
_refine_ls_number_reflns         20583
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_gt           0.0772
_refine_ls_restrained_S_all      1.177
_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)+(0.0001P)²+305.9250P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1530
_refine_ls_wR_factor_ref         0.1723
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H) groups, All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C55) \\sim Ueq, Uanis(C68) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C33) \\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C26) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
3.a Riding coordinates:
 O26(H26), O28(H28A), O32(H32), O33(H33)
3.b Rotating group:
 O25(H25A,H25B), O27(H27A,H27B)
3.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C8(H8), C12(H12), C13(H13), C14(H14), C19(H19),
 C20(H20), C21(H21), C23(H23), C27(H27), C28(H28), C29(H29), C34(H34), C35(H35),
  C36(H36), C38(H38), C42(H42), C43(H43), C44(H44), C49(H49), C50(H50),
 C51(H51), C53(H53), C57(H57), C58(H58), C59(H59), C64(H64), C65(H65), C66(H66),
  C68(H68), C72(H72), C73(H73), C74(H74), C79(H79), C80(H80), C81(H81),
 C83(H83), C87(H87), C88(H88), C89(H89)
3.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C30(H30A,H30B,H30C), C45(H45A,H45B,H45C), C60(H60A,H60B,
 H60C), C90(H90A,H90B,H90C), C91(H91A,H91B,H91C), C96(H96A,H96B,H96C), C95(H95A,
 H95B,H95C), C94(H94A,H94B,H94C), C97(H97A,H97B,H97C), C98(H98A,H98B,H98C),
 C99(H99A,H99B,H99C), C93(H93A,H93B,H93C)
3.e Idealised tetrahedral OH refined as rotating group:
 O12(H12A), O29(H29A), O31(H31)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.32499(2) 0.99020(3) -0.11944(3) 0.01950(13) Uani 1 1 d . . . . .
Dy2 Dy 0.21699(2) 1.10549(3) -0.14901(3) 0.01872(13) Uani 1 1 d . . . . .
Dy3 Dy 0.17337(2) 0.87688(3) 0.08176(3) 0.02030(13) Uani 1 1 d . . . . .
Dy4 Dy 0.29513(2) 0.89814(3) 0.17591(3) 0.01924(13) Uani 1 1 d . . . . .
Cl1 Cl 0.48209(11) 0.78429(19) -0.1190(2) 0.0422(9) Uani 1 1 d . . . . .
Cl2 Cl -0.00318(10) 0.89763(18) -0.13443(17) 0.0319(7) Uani 1 1 d . . . . .
Cl3 Cl 0.38103(12) 1.2350(2) -0.2358(2) 0.0531(11) Uani 1 1 d . . . . .
Cl4 Cl 0.06202(10) 1.02470(17) -0.01558(17) 0.0298(7) Uani 1 1 d . . . . .
Cl5 Cl 0.46344(11) 0.9931(2) 0.06408(17) 0.0365(8) Uani 1 1 d . . . . .
Cl6 Cl 0.12300(11) 0.83986(19) 0.30717(19) 0.0381(8) Uani 1 1 d . . . . .
O1 O 0.4276(3) 0.8944(5) -0.2234(5) 0.032(2) Uani 1 1 d . . . . .
O2 O 0.3938(3) 0.9529(4) -0.1450(4) 0.0225(17) Uani 1 1 d . . . . .
O3 O 0.2481(3) 0.9979(4) -0.1841(4) 0.0170(16) Uani 1 1 d . . . . .
O4 O 0.1758(3) 1.0587(4) -0.2632(4) 0.0281(19) Uani 1 1 d . . . . .
O5 O 0.0357(3) 0.7986(5) -0.0120(4) 0.0271(19) Uani 1 1 d . . . . .
O6 O 0.0969(3) 0.8587(4) 0.0427(4) 0.0240(18) Uani 1 1 d . . . . .
O7 O 0.2465(3) 0.8366(4) 0.0790(4) 0.0210(17) Uani 1 1 d . . . . .
O8 O 0.3248(3) 0.7794(4) 0.1509(4) 0.0257(18) Uani 1 1 d . . . . .
O9 O 0.2785(3) 1.2148(5) -0.3157(4) 0.033(2) Uani 1 1 d . . . . .
O10 O 0.2581(3) 1.1370(4) -0.2403(4) 0.0269(19) Uani 1 1 d . . . . .
O11 O 0.1464(3) 1.1469(4) -0.1645(4) 0.0248(18) Uani 1 1 d . . . . .
O13 O 0.1640(3) 0.9702(4) 0.0112(4) 0.0213(17) Uani 1 1 d . . . . .
O14 O 0.1889(3) 1.0175(4) -0.0809(4) 0.0246(18) Uani 1 1 d . . . . .
O15 O 0.2920(3) 1.0922(4) -0.0847(4) 0.0177(16) Uani 1 1 d . . . . .
O16 O 0.3791(2) 1.0948(4) -0.0929(4) 0.0210(17) Uani 1 1 d . . . . .
O17 O 0.3618(3) 0.9807(4) -0.0021(4) 0.0222(17) Uani 1 1 d . . . . .
O18 O 0.3276(3) 0.9245(4) 0.0757(4) 0.0205(17) Uani 1 1 d . . . . .
O19 O 0.2255(3) 0.9552(4) 0.1453(4) 0.0223(17) Uani 1 1 d . . . . .
O20 O 0.1381(3) 0.9568(4) 0.1565(4) 0.0217(17) Uani 1 1 d . . . . .
O21 O 0.2121(3) 0.7699(5) 0.2996(5) 0.033(2) Uani 1 1 d . . . . .
O22 O 0.2438(3) 0.8276(5) 0.2207(5) 0.040(2) Uani 1 1 d . . . . .
O23 O 0.3649(3) 0.8934(5) 0.2376(4) 0.0284(19) Uani 1 1 d . . . . .
O24 O 0.4553(3) 0.8851(6) 0.2404(5) 0.043(2) Uani 1 1 d . . . . .
O25 O 0.2708(3) 0.9311(4) -0.0574(4) 0.0255(18) Uani 1 1 d . . . . .
H25A H 0.243849 0.952945 -0.063640 0.038 Uiso 1 1 d R U . . .
H25B H 0.280629 0.933726 -0.011539 0.038 Uiso 1 1 d R U . . .
O26 O 0.3255(3) 1.0370(5) -0.2339(4) 0.032(2) Uani 1 1 d . . . . .
H26 H 0.304265 1.068055 -0.244249 0.048 Uiso 1 1 d R U . . .
O27 O 0.1540(3) 0.7795(5) 0.1439(5) 0.032(2) Uani 1 1 d . . . . .
H27A H 0.178711 0.755713 0.159851 0.049 Uiso 1 1 d R U . . .
H27B H 0.136950 0.751477 0.115294 0.049 Uiso 1 1 d R U . . .
O30 O 0.0564(3) 1.1261(5) -0.1728(5) 0.035(2) Uani 1 1 d . . . . .
N1 N 0.3114(3) 0.8746(5) -0.1723(5) 0.024(2) Uani 1 1 d . . . . .
N2 N 0.1666(3) 0.8159(5) -0.0310(5) 0.021(2) Uani 1 1 d . . . . .
N3 N 0.2218(3) 1.2373(5) -0.1542(5) 0.022(2) Uani 1 1 d . . . . .
N4 N 0.2199(3) 1.1468(5) -0.0228(5) 0.0174(19) Uani 1 1 d . . . . .
N5 N 0.3126(3) 1.0275(5) 0.1695(4) 0.020(2) Uani 1 1 d . . . . .
N6 N 0.2902(4) 0.9387(6) 0.3011(5) 0.027(2) Uani 1 1 d . . . . .
C1 C 0.4063(4) 0.8970(7) -0.1734(6) 0.025(3) Uani 1 1 d . . . . .
C2 C 0.3915(4) 0.8299(7) -0.1424(6) 0.027(3) Uani 1 1 d . . . . .
C3 C 0.4224(4) 0.7754(7) -0.1176(7) 0.032(3) Uani 1 1 d . . . . .
C4 C 0.4067(5) 0.7146(7) -0.0901(7) 0.034(3) Uani 1 1 d . . . . .
H4 H 0.427579 0.678982 -0.073436 0.041 Uiso 1 1 calc R U . . .
C5 C 0.3594(5) 0.7079(7) -0.0880(7) 0.032(3) Uani 1 1 d . . . . .
H5 H 0.348750 0.668204 -0.068060 0.038 Uiso 1 1 calc R U . . .
C6 C 0.3275(4) 0.7600(6) -0.1154(6) 0.022(2) Uani 1 1 d . . . . .
H6 H 0.295694 0.753821 -0.115902 0.026 Uiso 1 1 calc R U . . .
C7 C 0.3434(4) 0.8204(6) -0.1417(6) 0.026(3) Uani 1 1 d . . . . .
C8 C 0.2788(4) 0.8545(7) -0.2239(7) 0.029(3) Uani 1 1 d . . . . .
H8 H 0.279458 0.807872 -0.237357 0.034 Uiso 1 1 calc R U . . .
C9 C 0.2412(4) 0.8971(7) -0.2628(7) 0.026(3) Uani 1 1 d . . . . .
C10 C 0.2281(4) 0.9636(6) -0.2426(5) 0.017(2) Uani 1 1 d . . . . .
C11 C 0.1891(4) 0.9960(6) -0.2886(6) 0.024(3) Uani 1 1 d . . . . .
C12 C 0.1679(4) 0.9655(7) -0.3510(6) 0.029(3) Uani 1 1 d . . . . .
H12 H 0.143643 0.988827 -0.380265 0.034 Uiso 1 1 calc R U . . .
C13 C 0.1821(4) 0.9005(7) -0.3708(7) 0.032(3) Uani 1 1 d . . . . .
H13 H 0.167670 0.879928 -0.413097 0.038 Uiso 1 1 calc R U . . .
C14 C 0.2175(4) 0.8675(7) -0.3272(6) 0.030(3) Uani 1 1 d . . . . .
H14 H 0.226557 0.823511 -0.340112 0.036 Uiso 1 1 calc R U . . .
C15 C 0.1490(5) 1.1055(7) -0.3156(7) 0.039(3) Uani 1 1 d . . . . .
H15A H 0.147542 1.151064 -0.295202 0.058 Uiso 1 1 calc R U . . .
H15B H 0.117770 1.087547 -0.329818 0.058 Uiso 1 1 calc R U . . .
H15C H 0.163889 1.108647 -0.356123 0.058 Uiso 1 1 calc R U . . .
C16 C 0.0708(4) 0.8361(7) -0.0130(6) 0.025(3) Uani 1 1 d . . . . .
C17 C 0.0857(4) 0.8522(6) -0.0828(6) 0.022(2) Uani 1 1 d . . . . .
C18 C 0.0548(4) 0.8774(7) -0.1405(7) 0.029(3) Uani 1 1 d . . . . .
C19 C 0.0681(5) 0.8907(7) -0.2053(7) 0.036(3) Uani 1 1 d . . . . .
H19 H 0.046312 0.907203 -0.243349 0.044 Uiso 1 1 calc R U . . .
C20 C 0.1137(4) 0.8793(8) -0.2121(6) 0.033(3) Uani 1 1 d . . . . .
H20 H 0.123062 0.888569 -0.254956 0.040 Uiso 1 1 calc R U . . .
C21 C 0.1463(4) 0.8535(7) -0.1545(7) 0.031(3) Uani 1 1 d . . . . .
H21 H 0.177204 0.845601 -0.159453 0.037 Uiso 1 1 calc R U . . .
C22 C 0.1325(4) 0.8400(6) -0.0906(6) 0.022(2) Uani 1 1 d . . . . .
C23 C 0.1911(4) 0.7627(6) -0.0443(6) 0.025(3) Uani 1 1 d . . . . .
H23 H 0.181851 0.740667 -0.087705 0.030 Uiso 1 1 calc R U . . .
C24 C 0.2320(4) 0.7341(6) 0.0029(6) 0.023(3) Uani 1 1 d . . . . .
C25 C 0.2583(4) 0.7730(6) 0.0599(6) 0.022(2) Uani 1 1 d . . . . .
C26 C 0.2993(4) 0.7398(6) 0.0969(6) 0.023(3) Uani 1 1 d . U . . .
C27 C 0.3118(4) 0.6727(6) 0.0819(7) 0.024(3) Uani 1 1 d . . . . .
H27 H 0.338529 0.652169 0.108118 0.029 Uiso 1 1 calc R U . . .
C28 C 0.2838(4) 0.6357(6) 0.0267(6) 0.026(3) Uani 1 1 d . . . . .
H28 H 0.291503 0.590129 0.016421 0.031 Uiso 1 1 calc R U . . .
C29 C 0.2453(4) 0.6672(6) -0.0117(7) 0.027(3) Uani 1 1 d . . . . .
H29 H 0.227331 0.642855 -0.048971 0.032 Uiso 1 1 calc R U . . .
C30 C 0.3659(5) 0.7458(7) 0.1920(8) 0.040(4) Uani 1 1 d . . . . .
H30A H 0.389898 0.742311 0.163874 0.061 Uiso 1 1 calc R U . . .
H30B H 0.357626 0.699955 0.205745 0.061 Uiso 1 1 calc R U . . .
H30C H 0.377170 0.773095 0.233569 0.061 Uiso 1 1 calc R U . . .
C31 C 0.2765(4) 1.1946(7) -0.2557(7) 0.030(3) Uani 1 1 d . . . . .
C32 C 0.2967(4) 1.2407(7) -0.1937(7) 0.030(3) Uani 1 1 d . . . . .
C33 C 0.3429(5) 1.2642(7) -0.1814(8) 0.037(3) Uani 1 1 d . U . . .
C34 C 0.3604(5) 1.3096(9) -0.1264(9) 0.051(4) Uani 1 1 d . . . . .
H34 H 0.391249 1.324945 -0.120122 0.061 Uiso 1 1 calc R U . . .
C35 C 0.3311(6) 1.3321(9) -0.0804(8) 0.050(4) Uani 1 1 d . . . . .
H35 H 0.342679 1.361599 -0.042857 0.060 Uiso 1 1 calc R U . . .
C36 C 0.2850(5) 1.3103(7) -0.0911(7) 0.036(3) Uani 1 1 d . . . . .
H36 H 0.265185 1.326274 -0.061579 0.043 Uiso 1 1 calc R U . . .
C37 C 0.2683(4) 1.2646(6) -0.1459(6) 0.026(3) Uani 1 1 d . . . . .
C38 C 0.1882(4) 1.2817(6) -0.1552(6) 0.025(3) Uani 1 1 d . . . . .
H38 H 0.197216 1.328333 -0.152600 0.030 Uiso 1 1 calc R U . . .
C39 C 0.1391(4) 1.2696(6) -0.1599(6) 0.026(3) Uani 1 1 d . . . . .
C40 C 0.1205(4) 1.2020(7) -0.1644(6) 0.024(3) Uani 1 1 d . . . . .
C41 C 0.0709(4) 1.1930(7) -0.1684(6) 0.029(3) Uani 1 1 d . . . . .
C42 C 0.0427(5) 1.2513(8) -0.1683(7) 0.035(3) Uani 1 1 d . . . . .
H42 H 0.010638 1.245633 -0.170110 0.042 Uiso 1 1 calc R U . . .
C43 C 0.0617(5) 1.3179(8) -0.1655(8) 0.040(3) Uani 1 1 d . . . . .
H43 H 0.042164 1.356538 -0.165832 0.048 Uiso 1 1 calc R U . . .
C44 C 0.1082(5) 1.3275(7) -0.1624(7) 0.036(3) Uani 1 1 d . . . . .
H44 H 0.120188 1.372594 -0.161981 0.043 Uiso 1 1 calc R U . . .
C45 C 0.0085(4) 1.1156(8) -0.1680(8) 0.044(4) Uani 1 1 d . . . . .
H45A H -0.011137 1.137590 -0.207605 0.066 Uiso 1 1 calc R U . . .
H45B H 0.002488 1.135726 -0.124810 0.066 Uiso 1 1 calc R U . . .
H45C H 0.001881 1.066471 -0.168497 0.066 Uiso 1 1 calc R U . . .
C46 C 0.1678(4) 1.0214(6) -0.0292(6) 0.023(3) Uani 1 1 d . . . . .
C47 C 0.1460(4) 1.0905(6) -0.0135(6) 0.020(2) Uani 1 1 d . . . . .
C48 C 0.0994(4) 1.0970(6) -0.0036(6) 0.022(2) Uani 1 1 d . . . . .
C49 C 0.0815(4) 1.1593(7) 0.0140(6) 0.029(3) Uani 1 1 d . . . . .
H49 H 0.050475 1.162213 0.020112 0.035 Uiso 1 1 calc R U . . .
C50 C 0.1097(4) 1.2181(6) 0.0228(6) 0.023(3) Uani 1 1 d . . . . .
H50 H 0.097736 1.260299 0.035414 0.028 Uiso 1 1 calc R U . . .
C51 C 0.1561(4) 1.2144(6) 0.0127(6) 0.025(3) Uani 1 1 d . . . . .
H51 H 0.174979 1.254011 0.018179 0.030 Uiso 1 1 calc R U . . .
C52 C 0.1735(4) 1.1509(6) -0.0055(6) 0.021(2) Uani 1 1 d . . . . .
C53 C 0.2540(4) 1.1719(6) 0.0232(6) 0.020(2) Uani 1 1 d . . . . .
H53 H 0.246964 1.192421 0.063858 0.024 Uiso 1 1 calc R U . . .
C54 C 0.3026(4) 1.1699(6) 0.0148(6) 0.021(2) Uani 1 1 d . . . . .
C55 C 0.3195(4) 1.1333(6) -0.0379(6) 0.019(2) Uani 1 1 d . U . . .
C56 C 0.3666(4) 1.1342(6) -0.0402(6) 0.023(3) Uani 1 1 d . . . . .
C57 C 0.3982(4) 1.1727(7) 0.0093(6) 0.026(3) Uani 1 1 d . . . . .
H57 H 0.429819 1.173934 0.006405 0.031 Uiso 1 1 calc R U . . .
C58 C 0.3819(4) 1.2091(7) 0.0631(6) 0.027(3) Uani 1 1 d . . . . .
H58 H 0.402902 1.233327 0.097015 0.033 Uiso 1 1 calc R U . . .
C59 C 0.3352(4) 1.2089(6) 0.0659(6) 0.023(3) Uani 1 1 d . . . . .
H59 H 0.324435 1.234185 0.101008 0.027 Uiso 1 1 calc R U . . .
C60 C 0.4275(4) 1.1000(6) -0.1023(6) 0.022(3) Uani 1 1 d . . . . .
H60A H 0.447881 1.085877 -0.059476 0.034 Uiso 1 1 calc R U . . .
H60B H 0.434268 1.147474 -0.113050 0.034 Uiso 1 1 calc R U . . .
H60C H 0.432292 1.070216 -0.140458 0.034 Uiso 1 1 calc R U . . .
C61 C 0.3558(4) 0.9699(6) 0.0597(6) 0.023(3) Uani 1 1 d . . . . .
C62 C 0.3833(4) 1.0125(6) 0.1186(6) 0.024(3) Uani 1 1 d . . . . .
C63 C 0.4314(4) 1.0281(6) 0.1237(7) 0.027(3) Uani 1 1 d . . . . .
C64 C 0.4566(5) 1.0679(8) 0.1782(7) 0.035(3) Uani 1 1 d . . . . .
H64 H 0.488631 1.074936 0.181198 0.042 Uiso 1 1 calc R U . . .
C65 C 0.4332(5) 1.0970(7) 0.2280(7) 0.034(3) Uani 1 1 d . . . . .
H65 H 0.449310 1.125191 0.263815 0.040 Uiso 1 1 calc R U . . .
C66 C 0.3857(4) 1.0841(7) 0.2244(6) 0.029(3) Uani 1 1 d . . . . .
H66 H 0.370144 1.103661 0.257969 0.035 Uiso 1 1 calc R U . . .
C67 C 0.3613(4) 1.0426(6) 0.1715(6) 0.024(3) Uani 1 1 d . . . . .
C68 C 0.2872(4) 1.0809(6) 0.1748(5) 0.016(2) Uani 1 1 d . U . . .
H68 H 0.301461 1.124546 0.177779 0.019 Uiso 1 1 calc R U . . .
C69 C 0.2364(4) 1.0774(6) 0.1764(5) 0.018(2) Uani 1 1 d . . . . .
C70 C 0.2075(5) 1.0165(6) 0.1615(6) 0.028(3) Uani 1 1 d . U . . .
C71 C 0.1610(4) 1.0202(6) 0.1687(6) 0.021(2) Uani 1 1 d . . . . .
C72 C 0.1403(4) 1.0826(6) 0.1816(6) 0.022(2) Uani 1 1 d . . . . .
H72 H 0.108624 1.084371 0.184191 0.027 Uiso 1 1 calc R U . . .
C73 C 0.1673(4) 1.1425(6) 0.1905(6) 0.022(2) Uani 1 1 d . . . . .
H73 H 0.153400 1.185042 0.197804 0.026 Uiso 1 1 calc R U . . .
C74 C 0.2143(4) 1.1401(6) 0.1887(6) 0.021(2) Uani 1 1 d . . . . .
H74 H 0.231883 1.180940 0.195838 0.026 Uiso 1 1 calc R U . . .
C75 C 0.0895(4) 0.9540(7) 0.1662(7) 0.028(3) Uani 1 1 d . . . . .
H75A H 0.066(5) 0.973(7) 0.125(8) 0.042 Uiso 1 1 d . U . . .
H75B H 0.084(5) 0.973(8) 0.207(8) 0.042 Uiso 1 1 d . U . . .
C76 C 0.2234(4) 0.8250(6) 0.2739(6) 0.026(3) Uani 1 1 d . . . . .
C77 C 0.2113(4) 0.8937(7) 0.3059(6) 0.026(3) Uani 1 1 d . . . . .
C78 C 0.1674(5) 0.9024(7) 0.3260(7) 0.034(3) Uani 1 1 d . . . . .
C79 C 0.1570(5) 0.9616(8) 0.3613(7) 0.041(4) Uani 1 1 d . . . . .
H79 H 0.128107 0.966760 0.375017 0.049 Uiso 1 1 calc R U . . .
C80 C 0.1905(5) 1.0124(8) 0.3756(7) 0.039(3) Uani 1 1 d . . . . .
H80 H 0.183879 1.051929 0.400083 0.047 Uiso 1 1 calc R U . . .
C81 C 0.2337(5) 1.0080(7) 0.3555(7) 0.035(3) Uani 1 1 d . . . . .
H81 H 0.255241 1.044275 0.364871 0.042 Uiso 1 1 calc R U . . .
C82 C 0.2443(5) 0.9470(6) 0.3204(6) 0.028(3) Uani 1 1 d . . . . .
C83 C 0.3256(5) 0.9574(6) 0.3488(6) 0.027(3) Uani 1 1 d . . . . .
H83 H 0.318332 0.973333 0.391195 0.033 Uiso 1 1 calc R U . . .
C84 C 0.3741(5) 0.9569(7) 0.3450(7) 0.032(3) Uani 1 1 d . . . . .
C85 C 0.3918(4) 0.9238(7) 0.2910(6) 0.028(3) Uani 1 1 d . . . . .
C86 C 0.4408(5) 0.9206(8) 0.2944(7) 0.038(3) Uani 1 1 d . . . . .
C87 C 0.4707(5) 0.9537(10) 0.3490(7) 0.051(4) Uani 1 1 d . . . . .
H87 H 0.502831 0.954398 0.349642 0.061 Uiso 1 1 calc R U . . .
C88 C 0.4523(6) 0.9863(9) 0.4032(8) 0.054(4) Uani 1 1 d . . . . .
H88 H 0.472425 1.006855 0.440816 0.064 Uiso 1 1 calc R U . . .
C89 C 0.4054(5) 0.9881(8) 0.4016(7) 0.043(4) Uani 1 1 d . . . . .
H89 H 0.393678 1.009962 0.437914 0.052 Uiso 1 1 calc R U . . .
C90 C 0.5042(5) 0.8810(13) 0.2422(10) 0.077(7) Uani 1 1 d . . . . .
H90A H 0.510382 0.848544 0.206881 0.115 Uiso 1 1 calc R U . . .
H90B H 0.519544 0.865391 0.288099 0.115 Uiso 1 1 calc R U . . .
H90C H 0.515936 0.926248 0.232776 0.115 Uiso 1 1 calc R U . . .
C91 C 0.3569(7) 1.0435(11) -0.2822(10) 0.077(6) Uani 1 1 d . . . . .
H91A H 0.344239 1.019622 -0.325432 0.115 Uiso 1 1 calc R U . . .
H91B H 0.386586 1.023287 -0.261866 0.115 Uiso 1 1 calc R U . . .
H91C H 0.361104 1.092015 -0.292032 0.115 Uiso 1 1 calc R U . . .
O12 O 0.0140(5) 1.3076(6) 0.0863(6) 0.058(3) Uani 1 1 d . . . . .
H12A H -0.002554 1.276429 0.065895 0.087 Uiso 1 1 calc R U . . .
C96 C 0.0310(6) 1.2874(9) 0.1575(8) 0.055(4) Uani 1 1 d . . . . .
H96A H 0.054323 1.251644 0.158460 0.083 Uiso 1 1 calc R U . . .
H96B H 0.005583 1.269799 0.178031 0.083 Uiso 1 1 calc R U . . .
H96C H 0.044690 1.327109 0.184037 0.083 Uiso 1 1 calc R U . . .
O28 O 0.0663(3) 0.7283(6) 0.1145(5) 0.044(2) Uani 1 1 d . . . . .
H28A H 0.062387 0.757736 0.075318 0.066 Uiso 1 1 d R U . . .
C95 C 0.0569(6) 0.6576(9) 0.0902(9) 0.055(4) Uani 1 1 d . . . . .
H95A H 0.067815 0.651064 0.046325 0.082 Uiso 1 1 calc R U . . .
H95B H 0.023823 0.648895 0.083009 0.082 Uiso 1 1 calc R U . . .
H95C H 0.072925 0.625662 0.124940 0.082 Uiso 1 1 calc R U . . .
O29 O 0.4187(6) 0.5591(8) 0.1384(7) 0.084(4) Uani 1 1 d . . . . .
H29A H 0.421037 0.567783 0.180682 0.126 Uiso 1 1 calc R U . . .
C94 C 0.4457(7) 0.6074(11) 0.1073(10) 0.072(6) Uani 1 1 d . . . . .
H94A H 0.425866 0.631730 0.069599 0.107 Uiso 1 1 calc R U . . .
H94B H 0.469753 0.582992 0.088857 0.107 Uiso 1 1 calc R U . . .
H94C H 0.459911 0.640384 0.142470 0.107 Uiso 1 1 calc R U . . .
O31 O 0.2337(4) 1.3572(6) 0.0628(6) 0.058(3) Uani 1 1 d . . . . .
H31 H 0.244852 1.335520 0.098713 0.087 Uiso 1 1 calc R U . . .
C97 C 0.2526(7) 1.4236(9) 0.0661(9) 0.061(5) Uani 1 1 d . . . . .
H97A H 0.233128 1.453319 0.032833 0.092 Uiso 1 1 calc R U . . .
H97B H 0.283488 1.421591 0.054796 0.092 Uiso 1 1 calc R U . . .
H97C H 0.254477 1.441902 0.113055 0.092 Uiso 1 1 calc R U . . .
O32 O 0.0828(9) 1.4952(15) 0.0186(13) 0.215(14) Uani 1 1 d . . . . .
H32 H 0.062349 1.515768 -0.008968 0.322 Uiso 1 1 d R U . . .
C98 C 0.0852(11) 1.4260(13) -0.0027(11) 0.114(10) Uani 1 1 d . . . . .
H98A H 0.076894 1.423269 -0.053351 0.171 Uiso 1 1 calc R U . . .
H98B H 0.063765 1.398227 0.018226 0.171 Uiso 1 1 calc R U . . .
H98C H 0.116475 1.408805 0.012315 0.171 Uiso 1 1 calc R U . . .
O33 O -0.0287(10) 1.0547(15) -0.396(2) 0.28(2) Uani 1 1 d . . . . .
H33 H -0.015513 1.091679 -0.401681 0.413 Uiso 1 1 d R U . . .
C99 C 0.0029(10) 1.010(2) -0.3599(19) 0.160(16) Uani 1 1 d . . . . .
H99A H -0.004557 0.963390 -0.375917 0.240 Uiso 1 1 calc R U . . .
H99B H 0.001991 1.013526 -0.310332 0.240 Uiso 1 1 calc R U . . .
H99C H 0.033676 1.022147 -0.367686 0.240 Uiso 1 1 calc R U . . .
N7 N 0.4976(6) 0.7558(9) 0.0763(10) 0.076(5) Uani 1 1 d . . . . .
C92 C 0.4625(6) 0.7853(8) 0.0684(9) 0.048(4) Uani 1 1 d . . . . .
C93 C 0.4179(6) 0.8241(8) 0.0593(9) 0.056(4) Uani 1 1 d . . . . .
H93A H 0.416199 0.856143 0.020485 0.084 Uiso 1 1 calc R U . . .
H93B H 0.416291 0.849518 0.101844 0.084 Uiso 1 1 calc R U . . .
H93C H 0.392172 0.791863 0.049640 0.084 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 O2 2.259(7) . ?
Dy1 O3 2.352(7) . ?
Dy1 O15 2.326(7) . ?
Dy1 O16 2.538(8) . ?
Dy1 O17 2.318(7) . ?
Dy1 O25 2.420(8) . ?
Dy1 O26 2.378(8) . ?
Dy1 N1 2.437(10) . ?
Dy2 O3 2.394(7) . ?
Dy2 O4 2.466(8) . ?
Dy2 O10 2.372(8) . ?
Dy2 O11 2.167(8) . ?
Dy2 O14 2.368(8) . ?
Dy2 O15 2.312(7) . ?
Dy2 N3 2.530(10) . ?
Dy2 N4 2.537(9) . ?
Dy3 O6 2.236(8) . ?
Dy3 O7 2.268(7) . ?
Dy3 O13 2.230(8) . ?
Dy3 O19 2.313(8) . ?
Dy3 O20 2.447(7) . ?
Dy3 O27 2.338(9) . ?
Dy3 N2 2.438(9) . ?
Dy4 O7 2.426(8) . ?
Dy4 O8 2.508(8) . ?
Dy4 O18 2.348(7) . ?
Dy4 O19 2.278(8) . ?
Dy4 O22 2.292(8) . ?
Dy4 O23 2.153(8) . ?
Dy4 N5 2.535(10) . ?
Dy4 N6 2.557(10) . ?
Cl1 C3 1.747(13) . ?
Cl2 C18 1.752(12) . ?
Cl3 C33 1.747(15) . ?
Cl4 C48 1.747(12) . ?
Cl5 C63 1.737(12) . ?
Cl6 C78 1.747(14) . ?
O1 C1 1.234(14) . ?
O2 C1 1.283(14) . ?
O3 C10 1.339(13) . ?
O4 C11 1.377(13) . ?
O4 C15 1.462(14) . ?
O5 C16 1.249(14) . ?
O6 C16 1.268(14) . ?
O7 C25 1.335(14) . ?
O8 C26 1.384(13) . ?
O8 C30 1.455(14) . ?
O9 C31 1.226(14) . ?
O10 C31 1.284(15) . ?
O11 C40 1.294(14) . ?
O13 C46 1.265(14) . ?
O14 C46 1.262(13) . ?
O15 C55 1.344(13) . ?
O16 C56 1.363(13) . ?
O16 C60 1.452(13) . ?
O17 C61 1.249(14) . ?
O18 C61 1.270(13) . ?
O19 C70 1.344(14) . ?
O20 C71 1.383(14) . ?
O20 C75 1.455(14) . ?
O21 C76 1.234(14) . ?
O22 C76 1.272(14) . ?
O23 C85 1.307(14) . ?
O24 C86 1.369(16) . ?
O24 C90 1.417(17) . ?
O25 H25A 0.8763 . ?
O25 H25B 0.8755 . ?
O26 H26 0.8543 . ?
O26 C91 1.419(18) . ?
O27 H27A 0.8578 . ?
O27 H27B 0.8572 . ?
O30 C41 1.347(16) . ?
O30 C45 1.425(15) . ?
N1 C7 1.443(15) . ?
N1 C8 1.298(15) . ?
N2 C22 1.445(14) . ?
N2 C23 1.293(15) . ?
N3 C37 1.427(15) . ?
N3 C38 1.292(15) . ?
N4 C52 1.448(14) . ?
N4 C53 1.293(14) . ?
N5 C67 1.438(14) . ?
N5 C68 1.274(14) . ?
N6 C82 1.456(16) . ?
N6 C83 1.295(16) . ?
C1 C2 1.512(17) . ?
C2 C3 1.400(17) . ?
C2 C7 1.411(16) . ?
C3 C4 1.388(18) . ?
C4 H4 0.9300 . ?
C4 C5 1.387(18) . ?
C5 H5 0.9300 . ?
C5 C6 1.395(17) . ?
C6 H6 0.9300 . ?
C6 C7 1.374(17) . ?
C8 H8 0.9300 . ?
C8 C9 1.455(18) . ?
C9 C10 1.404(16) . ?
C9 C14 1.421(16) . ?
C10 C11 1.442(16) . ?
C11 C12 1.374(17) . ?
C12 H12 0.9300 . ?
C12 C13 1.388(18) . ?
C13 H13 0.9300 . ?
C13 C14 1.356(18) . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.514(15) . ?
C17 C18 1.379(16) . ?
C17 C22 1.415(16) . ?
C18 C19 1.391(18) . ?
C19 H19 0.9300 . ?
C19 C20 1.372(18) . ?
C20 H20 0.9300 . ?
C20 C21 1.408(17) . ?
C21 H21 0.9300 . ?
C21 C22 1.384(16) . ?
C23 H23 0.9300 . ?
C23 C24 1.463(16) . ?
C24 C25 1.425(16) . ?
C24 C29 1.381(17) . ?
C25 C26 1.418(16) . ?
C26 C27 1.381(16) . ?
C27 H27 0.9300 . ?
C27 C28 1.405(16) . ?
C28 H28 0.9300 . ?
C28 C29 1.363(17) . ?
C29 H29 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.514(18) . ?
C32 C33 1.393(18) . ?
C32 C37 1.418(17) . ?
C33 C34 1.39(2) . ?
C34 H34 0.9300 . ?
C34 C35 1.40(2) . ?
C35 H35 0.9300 . ?
C35 C36 1.38(2) . ?
C36 H36 0.9300 . ?
C36 C37 1.386(17) . ?
C38 H38 0.9300 . ?
C38 C39 1.430(17) . ?
C39 C40 1.398(17) . ?
C39 C44 1.421(17) . ?
C40 C41 1.437(16) . ?
C41 C42 1.385(18) . ?
C42 H42 0.9300 . ?
C42 C43 1.39(2) . ?
C43 H43 0.9300 . ?
C43 C44 1.355(19) . ?
C44 H44 0.9300 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.521(16) . ?
C47 C48 1.406(15) . ?
C47 C52 1.397(16) . ?
C48 C49 1.369(17) . ?
C49 H49 0.9300 . ?
C49 C50 1.384(17) . ?
C50 H50 0.9300 . ?
C50 C51 1.395(16) . ?
C51 H51 0.9300 . ?
C51 C52 1.386(16) . ?
C53 H53 0.9300 . ?
C53 C54 1.447(16) . ?
C54 C55 1.393(16) . ?
C54 C59 1.442(16) . ?
C55 C56 1.374(16) . ?
C56 C57 1.404(17) . ?
C57 H57 0.9300 . ?
C57 C58 1.398(17) . ?
C58 H58 0.9300 . ?
C58 C59 1.366(16) . ?
C59 H59 0.9300 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 C62 1.500(17) . ?
C62 C63 1.412(16) . ?
C62 C67 1.418(17) . ?
C63 C64 1.391(18) . ?
C64 H64 0.9300 . ?
C64 C65 1.388(19) . ?
C65 H65 0.9300 . ?
C65 C66 1.391(17) . ?
C66 H66 0.9300 . ?
C66 C67 1.379(17) . ?
C68 H68 0.9300 . ?
C68 C69 1.483(15) . ?
C69 C70 1.436(17) . ?
C69 C74 1.402(15) . ?
C70 C71 1.383(16) . ?
C71 C72 1.380(15) . ?
C72 H72 0.9300 . ?
C72 C73 1.382(16) . ?
C73 H73 0.9300 . ?
C73 C74 1.372(16) . ?
C74 H74 0.9300 . ?
C75 H75A 1.01(15) . ?
C75 H75B 0.90(15) . ?
C76 C77 1.520(17) . ?
C77 C78 1.409(17) . ?
C77 C82 1.391(18) . ?
C78 C79 1.382(19) . ?
C79 H79 0.9300 . ?
C79 C80 1.37(2) . ?
C80 H80 0.9300 . ?
C80 C81 1.379(19) . ?
C81 H81 0.9300 . ?
C81 C82 1.410(17) . ?
C83 H83 0.9300 . ?
C83 C84 1.423(18) . ?
C84 C85 1.391(18) . ?
C84 C89 1.415(18) . ?
C85 C86 1.414(18) . ?
C86 C87 1.386(19) . ?
C87 H87 0.9300 . ?
C87 C88 1.40(2) . ?
C88 H88 0.9300 . ?
C88 C89 1.36(2) . ?
C89 H89 0.9300 . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
O12 H12A 0.8200 . ?
O12 C96 1.419(18) . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C96 H96C 0.9600 . ?
O28 H28A 0.9306 . ?
O28 C95 1.442(19) . ?
C95 H95A 0.9600 . ?
C95 H95B 0.9600 . ?
C95 H95C 0.9600 . ?
O29 H29A 0.8200 . ?
O29 C94 1.41(2) . ?
C94 H94A 0.9600 . ?
C94 H94B 0.9600 . ?
C94 H94C 0.9600 . ?
O31 H31 0.8200 . ?
O31 C97 1.382(19) . ?
C97 H97A 0.9600 . ?
C97 H97B 0.9600 . ?
C97 H97C 0.9600 . ?
O32 H32 0.8200 . ?
O32 C98 1.39(3) . ?
C98 H98A 0.9600 . ?
C98 H98B 0.9600 . ?
C98 H98C 0.9600 . ?
O33 H33 0.8198 . ?
O33 C99 1.35(4) . ?
C99 H99A 0.9600 . ?
C99 H99B 0.9600 . ?
C99 H99C 0.9600 . ?
N7 C92 1.15(2) . ?
C92 C93 1.47(2) . ?
C93 H93A 0.9600 . ?
C93 H93B 0.9600 . ?
C93 H93C 0.9600 . ?

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
O2 Dy1 O3 134.2(3) . . ?
O2 Dy1 O15 139.0(3) . . ?
O2 Dy1 O16 75.8(3) . . ?
O2 Dy1 O17 85.3(3) . . ?
O2 Dy1 O25 129.7(3) . . ?
O2 Dy1 O26 76.3(3) . . ?
O2 Dy1 N1 72.8(3) . . ?
O3 Dy1 O16 123.3(2) . . ?
O3 Dy1 O25 69.5(3) . . ?
O3 Dy1 O26 69.8(3) . . ?
O3 Dy1 N1 76.8(3) . . ?
O15 Dy1 O3 72.4(3) . . ?
O15 Dy1 O16 63.4(2) . . ?
O15 Dy1 O25 85.0(3) . . ?
O15 Dy1 O26 91.3(3) . . ?
O15 Dy1 N1 147.0(3) . . ?
O17 Dy1 O3 137.9(3) . . ?
O17 Dy1 O15 85.9(3) . . ?
O17 Dy1 O16 73.0(3) . . ?
O17 Dy1 O25 73.1(3) . . ?
O17 Dy1 O26 148.1(3) . . ?
O17 Dy1 N1 110.1(3) . . ?
O25 Dy1 O16 134.7(3) . . ?
O25 Dy1 N1 73.2(3) . . ?
O26 Dy1 O16 77.3(3) . . ?
O26 Dy1 O25 138.3(3) . . ?
O26 Dy1 N1 89.1(3) . . ?
N1 Dy1 O16 148.0(3) . . ?
O3 Dy2 O4 65.4(2) . . ?
O3 Dy2 N3 145.1(3) . . ?
O3 Dy2 N4 126.0(3) . . ?
O4 Dy2 N3 110.4(3) . . ?
O4 Dy2 N4 152.8(3) . . ?
O10 Dy2 O3 75.2(3) . . ?
O10 Dy2 O4 70.2(3) . . ?
O10 Dy2 N3 71.2(3) . . ?
O10 Dy2 N4 133.9(3) . . ?
O11 Dy2 O3 132.2(3) . . ?
O11 Dy2 O4 73.7(3) . . ?
O11 Dy2 O10 113.3(3) . . ?
O11 Dy2 O14 85.6(3) . . ?
O11 Dy2 O15 152.7(3) . . ?
O11 Dy2 N3 71.8(3) . . ?
O11 Dy2 N4 83.3(3) . . ?
O14 Dy2 O3 74.3(3) . . ?
O14 Dy2 O4 94.2(3) . . ?
O14 Dy2 O10 149.3(3) . . ?
O14 Dy2 N3 139.4(3) . . ?
O14 Dy2 N4 69.4(3) . . ?
O15 Dy2 O3 71.9(2) . . ?
O15 Dy2 O4 133.7(3) . . ?
O15 Dy2 O10 82.6(3) . . ?
O15 Dy2 O14 90.7(3) . . ?
O15 Dy2 N3 94.4(3) . . ?
O15 Dy2 N4 70.1(3) . . ?
N3 Dy2 N4 74.6(3) . . ?
O6 Dy3 O7 144.5(3) . . ?
O6 Dy3 O19 142.3(3) . . ?
O6 Dy3 O20 78.4(3) . . ?
O6 Dy3 O27 74.4(3) . . ?
O6 Dy3 N2 73.3(3) . . ?
O7 Dy3 O19 73.0(3) . . ?
O7 Dy3 O20 136.1(3) . . ?
O7 Dy3 O27 93.1(3) . . ?
O7 Dy3 N2 74.9(3) . . ?
O13 Dy3 O6 85.3(3) . . ?
O13 Dy3 O7 105.6(3) . . ?
O13 Dy3 O19 78.2(3) . . ?
O13 Dy3 O20 80.7(3) . . ?
O13 Dy3 O27 159.4(3) . . ?
O13 Dy3 N2 82.1(3) . . ?
O19 Dy3 O20 65.7(3) . . ?
O19 Dy3 O27 116.3(3) . . ?
O19 Dy3 N2 135.9(3) . . ?
O27 Dy3 O20 91.9(3) . . ?
O27 Dy3 N2 94.8(3) . . ?
N2 Dy3 O20 147.8(3) . . ?
O7 Dy4 O8 65.4(3) . . ?
O7 Dy4 N5 122.0(3) . . ?
O7 Dy4 N6 138.1(3) . . ?
O8 Dy4 N5 142.9(3) . . ?
O8 Dy4 N6 122.4(3) . . ?
O18 Dy4 O7 74.9(3) . . ?
O18 Dy4 O8 80.4(3) . . ?
O18 Dy4 N5 68.7(3) . . ?
O18 Dy4 N6 143.7(3) . . ?
O19 Dy4 O7 70.8(3) . . ?
O19 Dy4 O8 134.8(3) . . ?
O19 Dy4 O18 99.0(3) . . ?
O19 Dy4 O22 76.9(3) . . ?
O19 Dy4 N5 72.2(3) . . ?
O19 Dy4 N6 84.1(3) . . ?
O22 Dy4 O7 71.0(3) . . ?
O22 Dy4 O8 78.9(3) . . ?
O22 Dy4 O18 145.1(3) . . ?
O22 Dy4 N5 138.0(3) . . ?
O22 Dy4 N6 71.0(3) . . ?
O23 Dy4 O7 139.3(3) . . ?
O23 Dy4 O8 75.3(3) . . ?
O23 Dy4 O18 88.9(3) . . ?
O23 Dy4 O19 149.7(3) . . ?
O23 Dy4 O22 112.3(4) . . ?
O23 Dy4 N5 83.8(3) . . ?
O23 Dy4 N6 72.8(3) . . ?
N5 Dy4 N6 78.1(3) . . ?
C1 O2 Dy1 133.2(7) . . ?
Dy1 O3 Dy2 106.0(3) . . ?
C10 O3 Dy1 129.4(6) . . ?
C10 O3 Dy2 122.1(6) . . ?
C11 O4 Dy2 120.6(7) . . ?
C11 O4 C15 116.1(9) . . ?
C15 O4 Dy2 120.0(7) . . ?
C16 O6 Dy3 137.7(7) . . ?
Dy3 O7 Dy4 103.4(3) . . ?
C25 O7 Dy3 127.3(7) . . ?
C25 O7 Dy4 120.7(7) . . ?
C26 O8 Dy4 119.0(7) . . ?
C26 O8 C30 115.9(9) . . ?
C30 O8 Dy4 124.9(7) . . ?
C31 O10 Dy2 132.6(8) . . ?
C40 O11 Dy2 146.3(8) . . ?
C46 O13 Dy3 167.9(7) . . ?
C46 O14 Dy2 131.2(8) . . ?
Dy2 O15 Dy1 109.6(3) . . ?
C55 O15 Dy1 117.3(6) . . ?
C55 O15 Dy2 132.8(7) . . ?
C56 O16 Dy1 110.3(6) . . ?
C56 O16 C60 116.7(9) . . ?
C60 O16 Dy1 127.3(6) . . ?
C61 O17 Dy1 144.9(7) . . ?
C61 O18 Dy4 135.9(7) . . ?
Dy4 O19 Dy3 106.8(3) . . ?
C70 O19 Dy3 116.3(7) . . ?
C70 O19 Dy4 136.3(8) . . ?
C71 O20 Dy3 114.1(6) . . ?
C71 O20 C75 117.2(9) . . ?
C75 O20 Dy3 124.8(7) . . ?
C76 O22 Dy4 139.0(8) . . ?
C85 O23 Dy4 141.2(8) . . ?
C86 O24 C90 116.9(12) . . ?
Dy1 O25 H25A 110.7 . . ?
Dy1 O25 H25B 110.4 . . ?
H25A O25 H25B 103.2 . . ?
Dy1 O26 H26 110.5 . . ?
C91 O26 Dy1 138.7(9) . . ?
C91 O26 H26 108.0 . . ?
Dy3 O27 H27A 110.0 . . ?
Dy3 O27 H27B 109.6 . . ?
H27A O27 H27B 104.1 . . ?
C41 O30 C45 115.3(11) . . ?
C7 N1 Dy1 116.1(7) . . ?
C8 N1 Dy1 128.9(9) . . ?
C8 N1 C7 115.0(10) . . ?
C22 N2 Dy3 118.9(7) . . ?
C23 N2 Dy3 126.5(8) . . ?
C23 N2 C22 114.6(10) . . ?
C37 N3 Dy2 114.8(7) . . ?
C38 N3 Dy2 127.6(8) . . ?
C38 N3 C37 117.1(10) . . ?
C52 N4 Dy2 111.5(7) . . ?
C53 N4 Dy2 131.1(7) . . ?
C53 N4 C52 116.8(9) . . ?
C67 N5 Dy4 113.5(7) . . ?
C68 N5 Dy4 131.1(7) . . ?
C68 N5 C67 114.6(10) . . ?
C82 N6 Dy4 119.0(7) . . ?
C83 N6 Dy4 125.1(8) . . ?
C83 N6 C82 115.8(10) . . ?
O1 C1 O2 125.9(11) . . ?
O1 C1 C2 119.3(11) . . ?
O2 C1 C2 114.8(10) . . ?
C3 C2 C1 123.9(11) . . ?
C3 C2 C7 118.3(12) . . ?
C7 C2 C1 117.8(11) . . ?
C2 C3 Cl1 119.8(10) . . ?
C4 C3 Cl1 118.9(10) . . ?
C4 C3 C2 121.3(12) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 C3 118.9(12) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 119.5 . . ?
C4 C5 C6 120.9(12) . . ?
C6 C5 H5 119.5 . . ?
C5 C6 H6 120.1 . . ?
C7 C6 C5 119.8(11) . . ?
C7 C6 H6 120.1 . . ?
C2 C7 N1 117.9(11) . . ?
C6 C7 N1 121.4(10) . . ?
C6 C7 C2 120.6(11) . . ?
N1 C8 H8 116.6 . . ?
N1 C8 C9 126.8(12) . . ?
C9 C8 H8 116.6 . . ?
C10 C9 C8 125.7(11) . . ?
C10 C9 C14 119.3(12) . . ?
C14 C9 C8 115.0(11) . . ?
O3 C10 C9 125.4(10) . . ?
O3 C10 C11 118.3(10) . . ?
C9 C10 C11 116.3(10) . . ?
O4 C11 C10 113.4(10) . . ?
C12 C11 O4 124.6(11) . . ?
C12 C11 C10 121.9(11) . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.8(12) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 120.7 . . ?
C14 C13 C12 118.5(12) . . ?
C14 C13 H13 120.7 . . ?
C9 C14 H14 118.5 . . ?
C13 C14 C9 123.0(12) . . ?
C13 C14 H14 118.5 . . ?
O4 C15 H15A 109.5 . . ?
O4 C15 H15B 109.5 . . ?
O4 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O5 C16 O6 123.1(11) . . ?
O5 C16 C17 119.8(10) . . ?
O6 C16 C17 117.0(10) . . ?
C18 C17 C16 122.4(10) . . ?
C18 C17 C22 117.9(10) . . ?
C22 C17 C16 119.7(10) . . ?
C17 C18 Cl2 120.9(10) . . ?
C17 C18 C19 122.6(12) . . ?
C19 C18 Cl2 116.4(10) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 C18 119.1(12) . . ?
C20 C19 H19 120.5 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.2(11) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0(11) . . ?
C22 C21 H21 120.0 . . ?
C17 C22 N2 120.0(10) . . ?
C21 C22 N2 119.7(10) . . ?
C21 C22 C17 120.2(11) . . ?
N2 C23 H23 117.1 . . ?
N2 C23 C24 125.9(11) . . ?
C24 C23 H23 117.1 . . ?
C25 C24 C23 122.7(11) . . ?
C29 C24 C23 116.5(11) . . ?
C29 C24 C25 120.7(11) . . ?
O7 C25 C24 124.0(10) . . ?
O7 C25 C26 120.3(10) . . ?
C26 C25 C24 115.7(11) . . ?
O8 C26 C25 114.5(10) . . ?
C27 C26 O8 122.7(10) . . ?
C27 C26 C25 122.8(11) . . ?
C26 C27 H27 120.4 . . ?
C26 C27 C28 119.3(11) . . ?
C28 C27 H27 120.4 . . ?
C27 C28 H28 120.3 . . ?
C29 C28 C27 119.3(11) . . ?
C29 C28 H28 120.3 . . ?
C24 C29 H29 118.9 . . ?
C28 C29 C24 122.1(12) . . ?
C28 C29 H29 118.9 . . ?
O8 C30 H30A 109.5 . . ?
O8 C30 H30B 109.5 . . ?
O8 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O9 C31 O10 125.5(12) . . ?
O9 C31 C32 118.6(12) . . ?
O10 C31 C32 115.9(11) . . ?
C33 C32 C31 123.0(12) . . ?
C33 C32 C37 116.3(13) . . ?
C37 C32 C31 120.7(11) . . ?
C32 C33 Cl3 119.4(12) . . ?
C34 C33 Cl3 118.2(11) . . ?
C34 C33 C32 122.4(14) . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C35 119.5(13) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 120.1 . . ?
C36 C35 C34 119.8(15) . . ?
C36 C35 H35 120.1 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 119.9(14) . . ?
C37 C36 H36 120.0 . . ?
C32 C37 N3 117.3(11) . . ?
C36 C37 N3 120.6(11) . . ?
C36 C37 C32 122.0(12) . . ?
N3 C38 H38 115.3 . . ?
N3 C38 C39 129.5(11) . . ?
C39 C38 H38 115.3 . . ?
C40 C39 C38 121.5(11) . . ?
C40 C39 C44 119.1(11) . . ?
C44 C39 C38 119.4(11) . . ?
O11 C40 C39 122.5(11) . . ?
O11 C40 C41 118.5(11) . . ?
C39 C40 C41 119.0(11) . . ?
O30 C41 C40 114.6(11) . . ?
O30 C41 C42 126.0(12) . . ?
C42 C41 C40 119.4(13) . . ?
C41 C42 H42 119.7 . . ?
C41 C42 C43 120.6(13) . . ?
C43 C42 H42 119.7 . . ?
C42 C43 H43 119.6 . . ?
C44 C43 C42 120.8(13) . . ?
C44 C43 H43 119.6 . . ?
C39 C44 H44 119.5 . . ?
C43 C44 C39 120.9(13) . . ?
C43 C44 H44 119.5 . . ?
O30 C45 H45A 109.5 . . ?
O30 C45 H45B 109.5 . . ?
O30 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O13 C46 C47 117.9(10) . . ?
O14 C46 O13 123.0(11) . . ?
O14 C46 C47 119.1(10) . . ?
C48 C47 C46 123.2(10) . . ?
C52 C47 C46 119.6(10) . . ?
C52 C47 C48 117.2(11) . . ?
C47 C48 Cl4 120.1(9) . . ?
C49 C48 Cl4 118.0(9) . . ?
C49 C48 C47 121.9(11) . . ?
C48 C49 H49 120.2 . . ?
C48 C49 C50 119.7(11) . . ?
C50 C49 H49 120.2 . . ?
C49 C50 H50 119.7 . . ?
C49 C50 C51 120.5(11) . . ?
C51 C50 H50 119.7 . . ?
C50 C51 H51 120.5 . . ?
C52 C51 C50 119.0(11) . . ?
C52 C51 H51 120.5 . . ?
C47 C52 N4 117.7(10) . . ?
C51 C52 N4 120.3(10) . . ?
C51 C52 C47 121.8(11) . . ?
N4 C53 H53 118.2 . . ?
N4 C53 C54 123.6(10) . . ?
C54 C53 H53 118.2 . . ?
C55 C54 C53 125.1(10) . . ?
C55 C54 C59 118.6(10) . . ?
C59 C54 C53 116.3(10) . . ?
O15 C55 C54 122.4(10) . . ?
O15 C55 C56 117.3(10) . . ?
C56 C55 C54 120.2(10) . . ?
O16 C56 C55 114.7(10) . . ?
O16 C56 C57 124.3(11) . . ?
C55 C56 C57 121.0(10) . . ?
C56 C57 H57 120.1 . . ?
C58 C57 C56 119.7(10) . . ?
C58 C57 H57 120.1 . . ?
C57 C58 H58 120.0 . . ?
C59 C58 C57 119.9(11) . . ?
C59 C58 H58 120.0 . . ?
C54 C59 H59 119.7 . . ?
C58 C59 C54 120.6(11) . . ?
C58 C59 H59 119.7 . . ?
O16 C60 H60A 109.5 . . ?
O16 C60 H60B 109.5 . . ?
O16 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O17 C61 O18 123.4(11) . . ?
O17 C61 C62 118.7(10) . . ?
O18 C61 C62 117.9(10) . . ?
C63 C62 C61 123.3(11) . . ?
C63 C62 C67 115.6(11) . . ?
C67 C62 C61 121.0(10) . . ?
C62 C63 Cl5 121.0(10) . . ?
C64 C63 Cl5 115.8(10) . . ?
C64 C63 C62 123.1(11) . . ?
C63 C64 H64 120.6 . . ?
C65 C64 C63 118.8(12) . . ?
C65 C64 H64 120.6 . . ?
C64 C65 H65 120.0 . . ?
C64 C65 C66 120.0(12) . . ?
C66 C65 H65 120.0 . . ?
C65 C66 H66 119.7 . . ?
C67 C66 C65 120.6(12) . . ?
C67 C66 H66 119.7 . . ?
C62 C67 N5 118.0(10) . . ?
C66 C67 N5 120.3(11) . . ?
C66 C67 C62 121.7(11) . . ?
N5 C68 H68 118.1 . . ?
N5 C68 C69 123.8(10) . . ?
C69 C68 H68 118.1 . . ?
C70 C69 C68 125.5(10) . . ?
C74 C69 C68 117.0(10) . . ?
C74 C69 C70 117.4(10) . . ?
O19 C70 C69 121.2(11) . . ?
O19 C70 C71 119.8(11) . . ?
C71 C70 C69 118.9(10) . . ?
C70 C71 O20 112.6(10) . . ?
C72 C71 O20 125.4(10) . . ?
C72 C71 C70 121.8(11) . . ?
C71 C72 H72 120.5 . . ?
C71 C72 C73 119.1(11) . . ?
C73 C72 H72 120.5 . . ?
C72 C73 H73 119.6 . . ?
C74 C73 C72 120.8(11) . . ?
C74 C73 H73 119.6 . . ?
C69 C74 H74 119.3 . . ?
C73 C74 C69 121.4(11) . . ?
C73 C74 H74 119.3 . . ?
O20 C75 H75A 115(8) . . ?
O20 C75 H75B 115(9) . . ?
H75A C75 H75B 110(10) . . ?
O21 C76 O22 123.5(12) . . ?
O21 C76 C77 118.6(11) . . ?
O22 C76 C77 117.8(10) . . ?
C78 C77 C76 120.1(12) . . ?
C82 C77 C76 120.9(11) . . ?
C82 C77 C78 118.8(12) . . ?
C77 C78 Cl6 122.1(11) . . ?
C79 C78 Cl6 116.5(11) . . ?
C79 C78 C77 121.3(13) . . ?
C78 C79 H79 120.9 . . ?
C80 C79 C78 118.2(13) . . ?
C80 C79 H79 120.9 . . ?
C79 C80 H80 118.3 . . ?
C79 C80 C81 123.3(13) . . ?
C81 C80 H80 118.3 . . ?
C80 C81 H81 120.9 . . ?
C80 C81 C82 118.2(13) . . ?
C82 C81 H81 120.9 . . ?
C77 C82 N6 119.8(11) . . ?
C77 C82 C81 120.1(12) . . ?
C81 C82 N6 120.1(12) . . ?
N6 C83 H83 115.6 . . ?
N6 C83 C84 128.8(11) . . ?
C84 C83 H83 115.6 . . ?
C85 C84 C83 123.0(12) . . ?
C85 C84 C89 119.5(13) . . ?
C89 C84 C83 117.3(12) . . ?
O23 C85 C84 122.6(11) . . ?
O23 C85 C86 118.0(12) . . ?
C84 C85 C86 119.4(12) . . ?
O24 C86 C85 115.5(12) . . ?
O24 C86 C87 124.4(13) . . ?
C87 C86 C85 120.0(13) . . ?
C86 C87 H87 120.2 . . ?
C86 C87 C88 119.7(14) . . ?
C88 C87 H87 120.2 . . ?
C87 C88 H88 119.6 . . ?
C89 C88 C87 120.8(14) . . ?
C89 C88 H88 119.6 . . ?
C84 C89 H89 119.8 . . ?
C88 C89 C84 120.5(14) . . ?
C88 C89 H89 119.8 . . ?
O24 C90 H90A 109.5 . . ?
O24 C90 H90B 109.5 . . ?
O24 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
O26 C91 H91A 109.5 . . ?
O26 C91 H91B 109.5 . . ?
O26 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C96 O12 H12A 109.5 . . ?
O12 C96 H96A 109.5 . . ?
O12 C96 H96B 109.5 . . ?
O12 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C95 O28 H28A 108.6 . . ?
O28 C95 H95A 109.5 . . ?
O28 C95 H95B 109.5 . . ?
O28 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C94 O29 H29A 109.5 . . ?
O29 C94 H94A 109.5 . . ?
O29 C94 H94B 109.5 . . ?
O29 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C97 O31 H31 109.5 . . ?
O31 C97 H97A 109.5 . . ?
O31 C97 H97B 109.5 . . ?
O31 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C98 O32 H32 109.6 . . ?
O32 C98 H98A 109.5 . . ?
O32 C98 H98B 109.5 . . ?
O32 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C99 O33 H33 108.9 . . ?
O33 C99 H99A 109.5 . . ?
O33 C99 H99B 109.5 . . ?
O33 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
N7 C92 C93 178.8(19) . . ?
C92 C93 H93A 109.5 . . ?
C92 C93 H93B 109.5 . . ?
C92 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?

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 O2 C1 O1 128.7(11) . . . . ?
Dy1 O2 C1 C2 -49.5(14) . . . . ?
Dy1 O3 C10 C9 27.5(15) . . . . ?
Dy1 O3 C10 C11 -154.2(7) . . . . ?
Dy1 O15 C55 C54 -143.6(9) . . . . ?
Dy1 O15 C55 C56 31.6(12) . . . . ?
Dy1 O16 C56 C55 -31.0(11) . . . . ?
Dy1 O16 C56 C57 148.1(10) . . . . ?
Dy1 O17 C61 O18 41(2) . . . . ?
Dy1 O17 C61 C62 -139.6(11) . . . . ?
Dy1 N1 C7 C2 -59.4(12) . . . . ?
Dy1 N1 C7 C6 123.3(10) . . . . ?
Dy1 N1 C8 C9 -0.9(17) . . . . ?
Dy2 O3 C10 C9 -173.0(8) . . . . ?
Dy2 O3 C10 C11 5.3(12) . . . . ?
Dy2 O4 C11 C10 -0.5(12) . . . . ?
Dy2 O4 C11 C12 179.0(9) . . . . ?
Dy2 O10 C31 O9 -146.0(10) . . . . ?
Dy2 O10 C31 C32 33.0(16) . . . . ?
Dy2 O11 C40 C39 10(2) . . . . ?
Dy2 O11 C40 C41 -169.2(9) . . . . ?
Dy2 O14 C46 O13 -164.1(8) . . . . ?
Dy2 O14 C46 C47 15.3(15) . . . . ?
Dy2 O15 C55 C54 42.8(15) . . . . ?
Dy2 O15 C55 C56 -142.0(8) . . . . ?
Dy2 N3 C37 C32 56.4(12) . . . . ?
Dy2 N3 C37 C36 -120.8(11) . . . . ?
Dy2 N3 C38 C39 -5.9(18) . . . . ?
Dy2 N4 C52 C47 56.7(11) . . . . ?
Dy2 N4 C52 C51 -118.2(10) . . . . ?
Dy2 N4 C53 C54 -12.0(16) . . . . ?
Dy3 O6 C16 O5 141.7(10) . . . . ?
Dy3 O6 C16 C17 -34.2(17) . . . . ?
Dy3 O7 C25 C24 38.7(15) . . . . ?
Dy3 O7 C25 C26 -141.4(9) . . . . ?
Dy3 O13 C46 O14 45(4) . . . . ?
Dy3 O13 C46 C47 -135(3) . . . . ?
Dy3 O19 C70 C69 -156.8(8) . . . . ?
Dy3 O19 C70 C71 27.6(13) . . . . ?
Dy3 O20 C71 C70 -24.1(11) . . . . ?
Dy3 O20 C71 C72 151.3(9) . . . . ?
Dy3 N2 C22 C17 -49.3(13) . . . . ?
Dy3 N2 C22 C21 128.1(10) . . . . ?
Dy3 N2 C23 C24 -8.7(17) . . . . ?
Dy4 O7 C25 C24 -178.9(8) . . . . ?
Dy4 O7 C25 C26 0.9(13) . . . . ?
Dy4 O8 C26 C25 1.1(13) . . . . ?
Dy4 O8 C26 C27 -176.7(9) . . . . ?
Dy4 O18 C61 O17 -167.2(7) . . . . ?
Dy4 O18 C61 C62 12.9(16) . . . . ?
Dy4 O19 C70 C69 33.1(16) . . . . ?
Dy4 O19 C70 C71 -142.5(9) . . . . ?
Dy4 O22 C76 O21 -150.5(10) . . . . ?
Dy4 O22 C76 C77 31.3(19) . . . . ?
Dy4 O23 C85 C84 28(2) . . . . ?
Dy4 O23 C85 C86 -154.6(10) . . . . ?
Dy4 N5 C67 C62 58.0(11) . . . . ?
Dy4 N5 C67 C66 -120.9(11) . . . . ?
Dy4 N5 C68 C69 -9.1(15) . . . . ?
Dy4 N6 C82 C77 49.1(13) . . . . ?
Dy4 N6 C82 C81 -132.7(10) . . . . ?
Dy4 N6 C83 C84 -3.3(19) . . . . ?
Cl1 C3 C4 C5 179.1(10) . . . . ?
Cl2 C18 C19 C20 176.7(11) . . . . ?
Cl3 C33 C34 C35 -177.9(11) . . . . ?
Cl4 C48 C49 C50 -178.9(9) . . . . ?
Cl5 C63 C64 C65 -179.5(10) . . . . ?
Cl6 C78 C79 C80 -178.6(10) . . . . ?
O1 C1 C2 C3 54.6(17) . . . . ?
O1 C1 C2 C7 -122.2(12) . . . . ?
O2 C1 C2 C3 -127.0(13) . . . . ?
O2 C1 C2 C7 56.1(15) . . . . ?
O3 C10 C11 O4 -3.0(14) . . . . ?
O3 C10 C11 C12 177.5(10) . . . . ?
O4 C11 C12 C13 -176.8(11) . . . . ?
O5 C16 C17 C18 50.7(18) . . . . ?
O5 C16 C17 C22 -127.8(12) . . . . ?
O6 C16 C17 C18 -133.3(13) . . . . ?
O6 C16 C17 C22 48.2(16) . . . . ?
O7 C25 C26 O8 -1.3(15) . . . . ?
O7 C25 C26 C27 176.4(10) . . . . ?
O8 C26 C27 C28 179.3(11) . . . . ?
O9 C31 C32 C33 -56.2(18) . . . . ?
O9 C31 C32 C37 121.4(13) . . . . ?
O10 C31 C32 C33 124.7(13) . . . . ?
O10 C31 C32 C37 -57.7(16) . . . . ?
O11 C40 C41 O30 -0.6(16) . . . . ?
O11 C40 C41 C42 180.0(11) . . . . ?
O13 C46 C47 C48 -51.2(15) . . . . ?
O13 C46 C47 C52 126.1(11) . . . . ?
O14 C46 C47 C48 129.3(12) . . . . ?
O14 C46 C47 C52 -53.4(15) . . . . ?
O15 C55 C56 O16 2.8(15) . . . . ?
O15 C55 C56 C57 -176.4(10) . . . . ?
O16 C56 C57 C58 -177.3(11) . . . . ?
O17 C61 C62 C63 -42.6(17) . . . . ?
O17 C61 C62 C67 134.6(12) . . . . ?
O18 C61 C62 C63 137.3(12) . . . . ?
O18 C61 C62 C67 -45.5(16) . . . . ?
O19 C70 C71 O20 -0.9(15) . . . . ?
O19 C70 C71 C72 -176.5(10) . . . . ?
O20 C71 C72 C73 -177.8(10) . . . . ?
O21 C76 C77 C78 -41.4(17) . . . . ?
O21 C76 C77 C82 134.2(12) . . . . ?
O22 C76 C77 C78 136.8(12) . . . . ?
O22 C76 C77 C82 -47.6(17) . . . . ?
O23 C85 C86 O24 0.0(19) . . . . ?
O23 C85 C86 C87 178.2(13) . . . . ?
O24 C86 C87 C88 -177.5(15) . . . . ?
O30 C41 C42 C43 -178.2(12) . . . . ?
N1 C8 C9 C10 -13.4(19) . . . . ?
N1 C8 C9 C14 165.1(11) . . . . ?
N2 C23 C24 C25 -19.3(18) . . . . ?
N2 C23 C24 C29 162.7(12) . . . . ?
N3 C38 C39 C40 0(2) . . . . ?
N3 C38 C39 C44 -178.0(12) . . . . ?
N4 C53 C54 C55 -8.9(18) . . . . ?
N4 C53 C54 C59 171.5(11) . . . . ?
N5 C68 C69 C70 -10.2(17) . . . . ?
N5 C68 C69 C74 174.4(10) . . . . ?
N6 C83 C84 C85 -11(2) . . . . ?
N6 C83 C84 C89 172.5(13) . . . . ?
C1 C2 C3 Cl1 2.0(18) . . . . ?
C1 C2 C3 C4 -179.5(12) . . . . ?
C1 C2 C7 N1 1.5(16) . . . . ?
C1 C2 C7 C6 178.8(11) . . . . ?
C2 C3 C4 C5 1(2) . . . . ?
C3 C2 C7 N1 -175.5(11) . . . . ?
C3 C2 C7 C6 1.8(18) . . . . ?
C3 C4 C5 C6 2.5(19) . . . . ?
C4 C5 C6 C7 -3.3(18) . . . . ?
C5 C6 C7 N1 178.3(11) . . . . ?
C5 C6 C7 C2 1.1(18) . . . . ?
C7 N1 C8 C9 178.1(11) . . . . ?
C7 C2 C3 Cl1 178.8(9) . . . . ?
C7 C2 C3 C4 -2.6(19) . . . . ?
C8 N1 C7 C2 121.5(12) . . . . ?
C8 N1 C7 C6 -55.8(15) . . . . ?
C8 C9 C10 O3 -0.4(18) . . . . ?
C8 C9 C10 C11 -178.7(11) . . . . ?
C8 C9 C14 C13 -178.9(11) . . . . ?
C9 C10 C11 O4 175.5(10) . . . . ?
C9 C10 C11 C12 -4.1(16) . . . . ?
C10 C9 C14 C13 -0.3(18) . . . . ?
C10 C11 C12 C13 2.7(18) . . . . ?
C11 C12 C13 C14 0.0(19) . . . . ?
C12 C13 C14 C9 -1.2(19) . . . . ?
C14 C9 C10 O3 -178.9(10) . . . . ?
C14 C9 C10 C11 2.8(15) . . . . ?
C15 O4 C11 C10 159.2(10) . . . . ?
C15 O4 C11 C12 -21.2(17) . . . . ?
C16 C17 C18 Cl2 4.2(17) . . . . ?
C16 C17 C18 C19 -178.4(12) . . . . ?
C16 C17 C22 N2 -3.5(17) . . . . ?
C16 C17 C22 C21 179.0(11) . . . . ?
C17 C18 C19 C20 -1(2) . . . . ?
C18 C17 C22 N2 177.9(11) . . . . ?
C18 C17 C22 C21 0.4(18) . . . . ?
C18 C19 C20 C21 1(2) . . . . ?
C19 C20 C21 C22 0(2) . . . . ?
C20 C21 C22 N2 -177.8(12) . . . . ?
C20 C21 C22 C17 -0.3(19) . . . . ?
C22 N2 C23 C24 170.9(11) . . . . ?
C22 C17 C18 Cl2 -177.2(9) . . . . ?
C22 C17 C18 C19 0.1(19) . . . . ?
C23 N2 C22 C17 131.1(12) . . . . ?
C23 N2 C22 C21 -51.5(15) . . . . ?
C23 C24 C25 O7 5.0(17) . . . . ?
C23 C24 C25 C26 -174.8(10) . . . . ?
C23 C24 C29 C28 177.5(11) . . . . ?
C24 C25 C26 O8 178.5(10) . . . . ?
C24 C25 C26 C27 -3.7(17) . . . . ?
C25 C24 C29 C28 -0.5(18) . . . . ?
C25 C26 C27 C28 1.7(18) . . . . ?
C26 C27 C28 C29 1.0(18) . . . . ?
C27 C28 C29 C24 -1.6(19) . . . . ?
C29 C24 C25 O7 -177.1(10) . . . . ?
C29 C24 C25 C26 3.0(16) . . . . ?
C30 O8 C26 C25 177.3(11) . . . . ?
C30 O8 C26 C27 -0.5(16) . . . . ?
C31 C32 C33 Cl3 -4.5(17) . . . . ?
C31 C32 C33 C34 176.5(13) . . . . ?
C31 C32 C37 N3 6.8(17) . . . . ?
C31 C32 C37 C36 -176.0(12) . . . . ?
C32 C33 C34 C35 1(2) . . . . ?
C33 C32 C37 N3 -175.5(11) . . . . ?
C33 C32 C37 C36 1.7(18) . . . . ?
C33 C34 C35 C36 -1(2) . . . . ?
C34 C35 C36 C37 2(2) . . . . ?
C35 C36 C37 N3 175.0(12) . . . . ?
C35 C36 C37 C32 -2(2) . . . . ?
C37 N3 C38 C39 -177.2(11) . . . . ?
C37 C32 C33 Cl3 177.9(9) . . . . ?
C37 C32 C33 C34 -1.2(19) . . . . ?
C38 N3 C37 C32 -131.2(12) . . . . ?
C38 N3 C37 C36 51.6(15) . . . . ?
C38 C39 C40 O11 0.1(18) . . . . ?
C38 C39 C40 C41 179.6(11) . . . . ?
C38 C39 C44 C43 -178.8(13) . . . . ?
C39 C40 C41 O30 179.8(10) . . . . ?
C39 C40 C41 C42 0.4(17) . . . . ?
C40 C39 C44 C43 3(2) . . . . ?
C40 C41 C42 C43 1.1(19) . . . . ?
C41 C42 C43 C44 0(2) . . . . ?
C42 C43 C44 C39 -2(2) . . . . ?
C44 C39 C40 O11 177.9(11) . . . . ?
C44 C39 C40 C41 -2.6(17) . . . . ?
C45 O30 C41 C40 172.6(11) . . . . ?
C45 O30 C41 C42 -8.1(18) . . . . ?
C46 C47 C48 Cl4 -4.8(15) . . . . ?
C46 C47 C48 C49 176.5(11) . . . . ?
C46 C47 C52 N4 8.9(15) . . . . ?
C46 C47 C52 C51 -176.3(10) . . . . ?
C47 C48 C49 C50 -0.2(18) . . . . ?
C48 C47 C52 N4 -173.6(9) . . . . ?
C48 C47 C52 C51 1.2(16) . . . . ?
C48 C49 C50 C51 0.9(18) . . . . ?
C49 C50 C51 C52 -0.6(17) . . . . ?
C50 C51 C52 N4 174.2(10) . . . . ?
C50 C51 C52 C47 -0.5(17) . . . . ?
C52 N4 C53 C54 178.2(10) . . . . ?
C52 C47 C48 Cl4 177.8(8) . . . . ?
C52 C47 C48 C49 -0.8(17) . . . . ?
C53 N4 C52 C47 -131.6(11) . . . . ?
C53 N4 C52 C51 53.5(15) . . . . ?
C53 C54 C55 O15 -3.9(18) . . . . ?
C53 C54 C55 C56 -179.0(11) . . . . ?
C53 C54 C59 C58 178.7(11) . . . . ?
C54 C55 C56 O16 178.1(10) . . . . ?
C54 C55 C56 C57 -1.0(17) . . . . ?
C55 C54 C59 C58 -0.9(17) . . . . ?
C55 C56 C57 C58 1.8(18) . . . . ?
C56 C57 C58 C59 -2.1(19) . . . . ?
C57 C58 C59 C54 1.7(18) . . . . ?
C59 C54 C55 O15 175.6(10) . . . . ?
C59 C54 C55 C56 0.6(16) . . . . ?
C60 O16 C56 C55 173.6(9) . . . . ?
C60 O16 C56 C57 -7.3(16) . . . . ?
C61 C62 C63 Cl5 -4.5(17) . . . . ?
C61 C62 C63 C64 179.7(12) . . . . ?
C61 C62 C67 N5 3.7(17) . . . . ?
C61 C62 C67 C66 -177.4(11) . . . . ?
C62 C63 C64 C65 -4(2) . . . . ?
C63 C62 C67 N5 -179.0(10) . . . . ?
C63 C62 C67 C66 -0.1(17) . . . . ?
C63 C64 C65 C66 2(2) . . . . ?
C64 C65 C66 C67 0(2) . . . . ?
C65 C66 C67 N5 177.9(11) . . . . ?
C65 C66 C67 C62 -1.0(19) . . . . ?
C67 N5 C68 C69 -177.9(9) . . . . ?
C67 C62 C63 Cl5 178.2(9) . . . . ?
C67 C62 C63 C64 2.4(18) . . . . ?
C68 N5 C67 C62 -131.2(11) . . . . ?
C68 N5 C67 C66 49.9(15) . . . . ?
C68 C69 C70 O19 1.0(17) . . . . ?
C68 C69 C70 C71 176.7(10) . . . . ?
C68 C69 C74 C73 179.4(10) . . . . ?
C69 C70 C71 O20 -176.7(9) . . . . ?
C69 C70 C71 C72 7.7(17) . . . . ?
C70 C69 C74 C73 3.6(16) . . . . ?
C70 C71 C72 C73 -2.8(17) . . . . ?
C71 C72 C73 C74 -1.9(17) . . . . ?
C72 C73 C74 C69 1.3(17) . . . . ?
C74 C69 C70 O19 176.3(10) . . . . ?
C74 C69 C70 C71 -8.0(16) . . . . ?
C75 O20 C71 C70 176.9(10) . . . . ?
C75 O20 C71 C72 -7.7(16) . . . . ?
C76 C77 C78 Cl6 -6.8(16) . . . . ?
C76 C77 C78 C79 173.7(12) . . . . ?
C76 C77 C82 N6 3.5(17) . . . . ?
C76 C77 C82 C81 -174.7(11) . . . . ?
C77 C78 C79 C80 1(2) . . . . ?
C78 C77 C82 N6 179.1(10) . . . . ?
C78 C77 C82 C81 0.9(18) . . . . ?
C78 C79 C80 C81 1(2) . . . . ?
C79 C80 C81 C82 -2(2) . . . . ?
C80 C81 C82 N6 -177.2(11) . . . . ?
C80 C81 C82 C77 1.0(19) . . . . ?
C82 N6 C83 C84 -178.6(12) . . . . ?
C82 C77 C78 Cl6 177.6(9) . . . . ?
C82 C77 C78 C79 -1.9(18) . . . . ?
C83 N6 C82 C77 -135.3(12) . . . . ?
C83 N6 C82 C81 43.0(16) . . . . ?
C83 C84 C85 O23 3(2) . . . . ?
C83 C84 C85 C86 -174.5(13) . . . . ?
C83 C84 C89 C88 176.6(14) . . . . ?
C84 C85 C86 O24 177.9(12) . . . . ?
C84 C85 C86 C87 -4(2) . . . . ?
C85 C84 C89 C88 0(2) . . . . ?
C85 C86 C87 C88 4(2) . . . . ?
C86 C87 C88 C89 -3(3) . . . . ?
C87 C88 C89 C84 0(3) . . . . ?
C89 C84 C85 O23 179.3(12) . . . . ?
C89 C84 C85 C86 1(2) . . . . ?
C90 O24 C86 C85 179.9(15) . . . . ?
C90 O24 C86 C87 2(2) . . . . ?

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.505
_oxdiff_exptl_absorpt_empirical_full_min 0.487
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_f-dy-04_sq
_database_code_depnum_ccdc_archive 'CCDC 2208978'
loop_
_audit_author_name
_audit_author_address
'Kai Wang'
;Guilin University of Technology
China
;
_audit_update_record             
;
2022-09-23 deposited with the CCDC.	2022-12-22 downloaded from the CCDC.
;
_audit_creation_date             2022-09-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C134 H100 Cl10 Dy8 N10 O44'
_chemical_formula_sum            'C134 H100 Cl10 Dy8 N10 O44'
_chemical_formula_weight         4208.73
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 O1 N1 Cl1 Dy1'
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'
Cl Cl 0.1484 0.1585 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.3953(5)
_cell_length_b                   16.5545(5)
_cell_length_c                   17.4986(6)
_cell_angle_alpha                67.554(3)
_cell_angle_beta                 89.584(3)
_cell_angle_gamma                74.827(3)
_cell_volume                     3956.7(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8744
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.5640
_cell_measurement_theta_min      3.7250
_shelx_estimated_absorpt_T_max   0.796
_shelx_estimated_absorpt_T_min   0.742
_exptl_absorpt_coefficient_mu    3.973
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_unetI/netI     0.0652
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28554
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.318
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0233
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    4.00   80.00   1.0000   17.5000
omega____ theta____ kappa____ phi______ frames
    -       18.6266   57.0000   90.0000 76

#__ type_ start__ end____ width___ exp.time_
  2 omega  -22.00   89.00   1.0000   17.5000
omega____ theta____ kappa____ phi______ frames
    -       18.6266   19.0000   30.0000 111

#__ type_ start__ end____ width___ exp.time_
  3 omega   24.00   61.00   1.0000   17.5000
omega____ theta____ kappa____ phi______ frames
    -       18.6266  -99.0000  -30.0000 37

#__ type_ start__ end____ width___ exp.time_
  4 omega  -45.00   38.00   1.0000   17.5000
omega____ theta____ kappa____ phi______ frames
    -       18.6266  -57.0000 -150.0000 83

#__ type_ start__ end____ width___ exp.time_
  5 omega  -11.00   34.00   1.0000   17.5000
omega____ theta____ kappa____ phi______ frames
    -       18.6266   77.0000 -180.0000 45

#__ type_ start__ end____ width___ exp.time_
  6 omega  -32.00   -7.00   1.0000   17.5000
omega____ theta____ kappa____ phi______ frames
    -      -18.7048  -38.0000 -150.0000 25

#__ type_ start__ end____ width___ exp.time_
  7 omega  -32.00   11.00   1.0000   17.5000
omega____ theta____ kappa____ phi______ frames
    -      -18.7048  -77.0000  120.0000 43
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0118137000
_diffrn_orient_matrix_UB_12      -0.0208012000
_diffrn_orient_matrix_UB_13      0.0436344000
_diffrn_orient_matrix_UB_21      0.0464350000
_diffrn_orient_matrix_UB_22      -0.0112350000
_diffrn_orient_matrix_UB_23      -0.0063633000
_diffrn_orient_matrix_UB_31      0.0028021000
_diffrn_orient_matrix_UB_32      0.0421104000
_diffrn_orient_matrix_UB_33      -0.0000505000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9960
_reflns_number_total             13900
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         2.544
_refine_diff_density_min         -2.032
_refine_diff_density_rms         0.164
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     913
_refine_ls_number_reflns         13900
_refine_ls_number_restraints     1854
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0548
_refine_ls_restrained_S_all      1.151
_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)+(0.0813P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1486
_refine_ls_wR_factor_ref         0.1653
_refine_special_details          ?
_olex2_refinement_description    
;
1. Rigid bond restraints
 C10, C11, C11, C12, C49, C50
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O15, C53, O16, C54, C55, C56, C57, C58, C59, Cl5, N5
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.001
2. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49
\\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C55 \\sim C54 \\sim C59 \\sim C58
\\sim C57 \\sim C56 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65
\\sim C66 \\sim C67: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 3.8A
O1 \\sim O2 \\sim O3 \\sim O4 \\sim O5 \\sim O6 \\sim O7 \\sim O8 \\sim O9
\\sim O10 \\sim O11 \\sim O12 \\sim O13 \\sim O14 \\sim O15 \\sim O16 \\sim O17
\\sim O18 \\sim O19 \\sim O20 \\sim O21 \\sim O22: within 3.8A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 3.8A
O15 \\sim C53 \\sim O16 \\sim C54 \\sim C55 \\sim C56 \\sim C57 \\sim C58 \\sim
C59 \\sim Cl5 \\sim N5: within 0A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 0A
Uanis(C53) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C56)
\\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(N5) \\sim Ueq,
Uanis(Cl5) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C58) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(Dy3) = Uanis(O15)
3.a Riding coordinates:
 C15(H15A,H15B,H15C)
3.b Ternary CH refined with riding coordinates:
 O20(H20), O21(H21), O22(H22)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C6(H6), C8(H8), C10(H10), C11(H11), C12(H12), C18(H18),
 C20(H20A), C21(H21A), C23(H23), C25(H25), C26(H26), C27(H27), C33(H33),
 C35(H35), C36(H36), C38(H38), C40(H40), C41(H41), C42(H42), C49(H49), C50(H50),
  C52(H52), C59(H59), C57(H57), C56(H56), C60(H60), C62(H62), C63(H63), C64(H64)
3.d Fitted hexagon refined as free rotating group:
 C55(C54,C59,C58,C57,C56)
3.e X=CH2 refined with riding coordinates:
 N4(H4A,H4B), N5(H5A,H5B)
3.f Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C45(H45A,H45B,H45C), C67(H67A,H67B,H67C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 1.05045(3) 0.76049(3) 0.45756(3) 0.04761(15) Uani 1 1 d . . . . .
Dy2 Dy 0.99453(3) 1.01808(3) 0.32333(2) 0.04048(14) Uani 1 1 d . . . . .
Dy3 Dy 0.77703(3) 1.17350(3) 0.27571(3) 0.04888(15) Uani 1 1 d . . . . .
Dy4 Dy 0.81575(3) 0.94683(3) 0.42853(3) 0.04251(14) Uani 1 1 d . . . . .
Cl1 Cl 0.8300(4) 0.8775(4) 0.0283(2) 0.1493(18) Uani 1 1 d . . . . .
Cl2 Cl 1.4986(3) 0.4435(3) 0.6883(4) 0.157(2) Uani 1 1 d . . . . .
Cl3 Cl 1.4623(2) 0.7800(3) 0.3549(3) 0.1177(14) Uani 1 1 d . . . . .
Cl4 Cl 0.7117(3) 0.7320(4) 0.8529(3) 0.163(2) Uani 1 1 d . . . . .
Cl5 Cl 0.4668(9) 1.4366(8) -0.0407(9) 0.446(8) Uani 1 1 d . U . . .
O1 O 0.7682(5) 0.8720(5) 0.3273(4) 0.0634(16) Uani 1 1 d . U . . .
O2 O 0.8983(4) 0.8146(4) 0.3999(4) 0.0521(13) Uani 1 1 d . U . . .
O3 O 1.0992(5) 0.6129(4) 0.5391(5) 0.0705(18) Uani 1 1 d . U . . .
O4 O 1.1975(7) 0.4754(5) 0.6674(7) 0.111(3) Uani 1 1 d . U . . .
O5 O 1.2546(5) 0.7411(4) 0.6446(4) 0.070(2) Uani 1 1 d . U . . .
O6 O 1.1576(4) 0.7845(4) 0.5337(4) 0.0530(14) Uani 1 1 d . U . . .
O7 O 1.0706(4) 0.8721(4) 0.3313(4) 0.0490(13) Uani 1 1 d . U . . .
O8 O 0.9924(4) 0.9932(4) 0.1864(4) 0.0550(15) Uani 1 1 d . U . . .
O9 O 1.2383(4) 0.9900(4) 0.4757(4) 0.0464(14) Uani 1 1 d . U . . .
O10 O 1.1020(4) 1.0234(4) 0.4106(3) 0.0434(12) Uani 1 1 d . U . . .
O11 O 0.9283(4) 1.1683(4) 0.2388(4) 0.0525(14) Uani 1 1 d . U . . .
O12 O 0.8027(5) 1.3214(5) 0.1812(5) 0.077(2) Uani 1 1 d . U . . .
O13 O 0.9734(5) 0.7373(4) 0.5760(4) 0.0631(16) Uani 1 1 d . U . . .
O14 O 0.8321(5) 0.8244(4) 0.5572(4) 0.0576(15) Uani 1 1 d . U . . .
O15 O 0.7422(4) 1.1828(4) 0.1476(4) 0.04888(15) Uani 1 1 d . U . . .
O16 O 0.7388(7) 1.0578(6) 0.1299(6) 0.107(2) Uani 1 1 d . U . . .
O17 O 0.6201(5) 1.2616(5) 0.2410(5) 0.0736(19) Uani 1 1 d . U . . .
O18 O 0.6928(4) 1.0774(4) 0.3522(4) 0.0530(14) Uani 1 1 d . U . . .
O19 O 0.6581(4) 0.9255(4) 0.4461(4) 0.0575(15) Uani 1 1 d . U . . .
O20 O 0.9769(4) 0.9085(3) 0.4490(3) 0.0419(12) Uani 1 1 d . U . . .
H20 H 0.997216 0.918926 0.496523 0.050 Uiso 1 1 calc R U . . .
O21 O 0.8507(4) 1.0185(4) 0.2908(3) 0.0442(12) Uani 1 1 d . U . . .
H21 H 0.838506 0.997456 0.247723 0.053 Uiso 1 1 calc R U . . .
O22 O 0.8742(4) 1.0808(3) 0.3924(3) 0.0404(12) Uani 1 1 d . U . . .
H22 H 0.886900 1.102933 0.434577 0.049 Uiso 1 1 calc R U . . .
N1 N 1.0222(6) 0.6771(5) 0.3689(6) 0.062(2) Uani 1 1 d . . . . .
N2 N 1.2098(5) 0.7073(5) 0.4213(6) 0.060(2) Uani 1 1 d . . . . .
N3 N 1.1152(5) 1.0753(5) 0.2417(5) 0.054(2) Uani 1 1 d . . . . .
N4 N 1.0196(9) 0.5746(7) 0.7007(7) 0.119(4) Uani 1 1 d . . . . .
H4A H 1.053607 0.521138 0.730543 0.142 Uiso 1 1 calc R U . . .
H4B H 1.032702 0.604189 0.651860 0.142 Uiso 1 1 calc R U . . .
N5 N 0.6397(13) 1.0612(11) 0.0000(11) 0.203(7) Uani 1 1 d . U . . .
H5A H 0.685371 1.023531 0.034759 0.243 Uiso 1 1 calc R U . . .
H5B H 0.612118 1.043343 -0.030396 0.243 Uiso 1 1 calc R U . . .
C1 C 0.8480(8) 0.8283(7) 0.3362(7) 0.058(2) Uani 1 1 d . U . . .
C2 C 0.8911(8) 0.7952(7) 0.2741(7) 0.0667(18) Uani 1 1 d . U . . .
C3 C 0.8473(8) 0.8401(8) 0.1916(7) 0.071(2) Uani 1 1 d . U . . .
H3 H 0.792339 0.884771 0.180430 0.086 Uiso 1 1 calc R U . . .
C4 C 0.8858(9) 0.8181(8) 0.1272(7) 0.076(2) Uani 1 1 d . U . . .
C5 C 0.9645(8) 0.7508(8) 0.1421(8) 0.080(2) Uani 1 1 d . U . . .
H5 H 0.988864 0.736028 0.098805 0.096 Uiso 1 1 calc R U . . .
C6 C 1.0085(8) 0.7041(8) 0.2225(7) 0.0763(19) Uani 1 1 d . U . . .
H6 H 1.061779 0.657455 0.233149 0.092 Uiso 1 1 calc R U . . .
C7 C 0.9727(8) 0.7274(7) 0.2863(7) 0.0683(18) Uani 1 1 d . U . . .
C8 C 1.0486(8) 0.5910(7) 0.3892(8) 0.076(2) Uani 1 1 d . U . . .
H8 H 1.030349 0.570394 0.351171 0.091 Uiso 1 1 calc R U . . .
C9 C 1.1025(8) 0.5222(7) 0.4626(8) 0.075(2) Uani 1 1 d . U . . .
C10 C 1.1300(8) 0.4334(7) 0.4609(9) 0.087(2) Uani 1 1 d . U . . .
H10 H 1.111932 0.423255 0.415565 0.105 Uiso 1 1 calc R U . . .
C11 C 1.1833(9) 0.3643(8) 0.5276(9) 0.090(2) Uani 1 1 d . U . . .
H11 H 1.202588 0.307315 0.525038 0.108 Uiso 1 1 calc R U . . .
C12 C 1.2101(9) 0.3714(8) 0.5966(9) 0.090(2) Uani 1 1 d . U . . .
H12 H 1.247100 0.321793 0.640249 0.108 Uiso 1 1 calc R U . . .
C13 C 1.1791(9) 0.4593(8) 0.5999(9) 0.082(2) Uani 1 1 d . U . . .
C14 C 1.1251(8) 0.5347(7) 0.5328(8) 0.075(2) Uani 1 1 d . U . . .
C15 C 1.2525(11) 0.3998(9) 0.7360(10) 0.129(5) Uani 1 1 d . U . . .
H15A H 1.302056 0.364139 0.718605 0.193 Uiso 1 1 d R U . . .
H15B H 1.216026 0.362079 0.767055 0.193 Uiso 1 1 d R U . . .
H15C H 1.275656 0.424529 0.770345 0.193 Uiso 1 1 d R U . . .
C16 C 1.2288(7) 0.7326(7) 0.5792(7) 0.066(2) Uani 1 1 d . U . . .
C17 C 1.2891(8) 0.6572(7) 0.5592(8) 0.071(2) Uani 1 1 d . U . . .
C18 C 1.3606(8) 0.5952(7) 0.6190(8) 0.079(2) Uani 1 1 d . U . . .
H18 H 1.372810 0.605905 0.665645 0.095 Uiso 1 1 calc R U . . .
C19 C 1.4122(8) 0.5202(8) 0.6103(9) 0.088(2) Uani 1 1 d . U . . .
C20 C 1.3954(8) 0.5019(8) 0.5428(8) 0.085(2) Uani 1 1 d . U . . .
H20A H 1.428189 0.448198 0.538556 0.102 Uiso 1 1 calc R U . . .
C21 C 1.3282(8) 0.5655(7) 0.4808(8) 0.078(2) Uani 1 1 d . U . . .
H21A H 1.318440 0.554088 0.434009 0.094 Uiso 1 1 calc R U . . .
C22 C 1.2762(8) 0.6432(7) 0.4849(8) 0.0730(19) Uani 1 1 d . U . . .
C23 C 1.2330(8) 0.7243(7) 0.3467(8) 0.0696(18) Uani 1 1 d . U . . .
H23 H 1.290275 0.691051 0.342231 0.083 Uiso 1 1 calc R U . . .
C24 C 1.1806(8) 0.7883(7) 0.2703(7) 0.0675(17) Uani 1 1 d . U . . .
C25 C 1.2119(8) 0.7819(8) 0.1948(7) 0.076(2) Uani 1 1 d . U . . .
H25 H 1.262951 0.735693 0.197299 0.092 Uiso 1 1 calc R U . . .
C26 C 1.1669(8) 0.8439(8) 0.1180(8) 0.080(2) Uani 1 1 d . U . . .
H26 H 1.186192 0.837445 0.069699 0.096 Uiso 1 1 calc R U . . .
C27 C 1.0951(8) 0.9137(8) 0.1134(7) 0.075(2) Uani 1 1 d . U . . .
H27 H 1.065971 0.956615 0.062008 0.090 Uiso 1 1 calc R U . . .
C28 C 1.0654(8) 0.9205(7) 0.1859(7) 0.0672(17) Uani 1 1 d . U . . .
C29 C 1.1056(7) 0.8583(7) 0.2633(7) 0.0630(16) Uani 1 1 d . U . . .
C30 C 0.9445(8) 1.0579(8) 0.1097(6) 0.078(3) Uani 1 1 d . U . . .
H30A H 0.900859 1.105739 0.118931 0.117 Uiso 1 1 calc R U . . .
H30B H 0.914076 1.028917 0.084818 0.117 Uiso 1 1 calc R U . . .
H30C H 0.986166 1.083120 0.073322 0.117 Uiso 1 1 calc R U . . .
C31 C 1.1880(6) 0.9959(6) 0.4166(6) 0.0447(18) Uani 1 1 d . U . . .
C32 C 1.2346(7) 0.9673(6) 0.3521(6) 0.0533(17) Uani 1 1 d . U . . .
C33 C 1.3157(7) 0.8980(6) 0.3785(7) 0.0597(19) Uani 1 1 d . U . . .
H33 H 1.338921 0.870361 0.434173 0.072 Uiso 1 1 calc R U . . .
C34 C 1.3614(7) 0.8713(7) 0.3187(7) 0.0670(19) Uani 1 1 d . U . . .
C35 C 1.3331(8) 0.9134(7) 0.2352(7) 0.069(2) Uani 1 1 d . U . . .
H35 H 1.366929 0.896317 0.196845 0.083 Uiso 1 1 calc R U . . .
C36 C 1.2534(7) 0.9814(7) 0.2104(7) 0.0660(17) Uani 1 1 d . U . . .
H36 H 1.232354 1.010472 0.154188 0.079 Uiso 1 1 calc R U . . .
C37 C 1.2036(7) 1.0076(7) 0.2671(6) 0.0576(16) Uani 1 1 d . U . . .
C38 C 1.1090(8) 1.1500(7) 0.1772(7) 0.067(2) Uani 1 1 d . U . . .
H38 H 1.162113 1.155720 0.152754 0.081 Uiso 1 1 calc R U . . .
C39 C 1.0304(8) 1.2238(7) 0.1397(7) 0.068(2) Uani 1 1 d . U . . .
C40 C 1.0414(8) 1.2964(7) 0.0677(7) 0.080(2) Uani 1 1 d . U . . .
H40 H 1.095773 1.291169 0.044025 0.096 Uiso 1 1 calc R U . . .
C41 C 0.9714(9) 1.3744(8) 0.0332(7) 0.087(3) Uani 1 1 d . U . . .
H41 H 0.978960 1.420633 -0.015105 0.105 Uiso 1 1 calc R U . . .
C42 C 0.8894(9) 1.3874(8) 0.0675(7) 0.087(3) Uani 1 1 d . U . . .
H42 H 0.843968 1.441941 0.043820 0.105 Uiso 1 1 calc R U . . .
C43 C 0.8776(8) 1.3173(8) 0.1372(7) 0.078(2) Uani 1 1 d . U . . .
C44 C 0.9484(8) 1.2354(7) 0.1740(6) 0.061(2) Uani 1 1 d . U . . .
C45 C 0.7353(10) 1.4068(9) 0.1625(10) 0.124(5) Uani 1 1 d . U . . .
H45A H 0.692696 1.417554 0.117410 0.186 Uiso 1 1 calc R U . . .
H45B H 0.763914 1.454959 0.146828 0.186 Uiso 1 1 calc R U . . .
H45C H 0.704195 1.404799 0.210615 0.186 Uiso 1 1 calc R U . . .
C46 C 0.8984(9) 0.7580(8) 0.6007(7) 0.073(2) Uani 1 1 d . U . . .
C47 C 0.8870(9) 0.7010(8) 0.6860(7) 0.080(2) Uani 1 1 d . U . . .
C48 C 0.9440(10) 0.6131(9) 0.7311(8) 0.089(3) Uani 1 1 d . U . . .
C49 C 0.9301(10) 0.5595(10) 0.8096(8) 0.104(3) Uani 1 1 d . U . . .
H49 H 0.968201 0.501306 0.838423 0.125 Uiso 1 1 calc R U . . .
C50 C 0.8589(10) 0.5952(10) 0.8427(9) 0.110(3) Uani 1 1 d . U . . .
H50 H 0.847770 0.559366 0.895381 0.132 Uiso 1 1 calc R U . . .
C51 C 0.7998(9) 0.6838(9) 0.8026(8) 0.095(3) Uani 1 1 d . U . . .
C52 C 0.8147(9) 0.7363(9) 0.7227(8) 0.086(3) Uani 1 1 d . U . . .
H52 H 0.776482 0.794543 0.694018 0.103 Uiso 1 1 calc R U . . .
C53 C 0.7121(13) 1.1411(13) 0.1114(11) 0.138(3) Uani 1 1 d . U . . .
C55 C 0.6124(9) 1.1446(7) -0.0064(8) 0.159(3) Uani 1 1 d G U . . .
C54 C 0.6486(8) 1.1848(9) 0.0375(7) 0.154(3) Uani 1 1 d G U . . .
C59 C 0.6121(9) 1.2767(9) 0.0207(8) 0.165(3) Uani 1 1 d G U . . .
H59 H 0.636241 1.303615 0.050094 0.199 Uiso 1 1 calc R U . . .
C58 C 0.5394(10) 1.3285(7) -0.0399(9) 0.171(3) Uani 1 1 d G U . . .
C57 C 0.5033(8) 1.2883(9) -0.0838(7) 0.185(3) Uani 1 1 d G U . . .
H57 H 0.454654 1.322881 -0.124334 0.222 Uiso 1 1 calc R U . . .
C56 C 0.5398(9) 1.1963(9) -0.0670(7) 0.166(3) Uani 1 1 d G U . . .
H56 H 0.515575 1.169430 -0.096360 0.199 Uiso 1 1 calc R U . . .
C60 C 0.5474(8) 1.2434(8) 0.2618(8) 0.084(3) Uani 1 1 d . U . . .
H60 H 0.495142 1.291847 0.241434 0.101 Uiso 1 1 calc R U . . .
C61 C 0.5347(7) 1.1566(8) 0.3133(8) 0.076(2) Uani 1 1 d . U . . .
C62 C 0.4471(8) 1.1531(8) 0.3221(8) 0.089(3) Uani 1 1 d . U . . .
H62 H 0.400465 1.205433 0.293574 0.107 Uiso 1 1 calc R U . . .
C63 C 0.4255(8) 1.0751(8) 0.3714(8) 0.089(3) Uani 1 1 d . U . . .
H63 H 0.365588 1.074823 0.378201 0.107 Uiso 1 1 calc R U . . .
C64 C 0.4975(7) 0.9951(8) 0.4114(8) 0.081(3) Uani 1 1 d . U . . .
H64 H 0.484552 0.940634 0.442335 0.097 Uiso 1 1 calc R U . . .
C65 C 0.5861(7) 0.9966(8) 0.4054(8) 0.071(2) Uani 1 1 d . U . . .
C66 C 0.6075(7) 1.0793(8) 0.3571(8) 0.072(2) Uani 1 1 d . U . . .
C67 C 0.6417(8) 0.8370(7) 0.4818(8) 0.077(3) Uani 1 1 d . U . . .
H67A H 0.618625 0.823579 0.438565 0.115 Uiso 1 1 calc R U . . .
H67B H 0.598254 0.837111 0.521465 0.115 Uiso 1 1 calc R U . . .
H67C H 0.697276 0.791510 0.509137 0.115 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 O2 2.357(6) . ?
Dy1 O3 2.227(6) . ?
Dy1 O6 2.330(6) . ?
Dy1 O7 2.359(6) . ?
Dy1 O13 2.334(7) . ?
Dy1 O20 2.362(5) . ?
Dy1 N1 2.543(8) . ?
Dy1 N2 2.543(9) . ?
Dy2 O7 2.344(6) . ?
Dy2 O8 2.583(6) . ?
Dy2 O10 2.301(6) . ?
Dy2 O11 2.301(6) . ?
Dy2 O20 2.325(5) . ?
Dy2 O21 2.288(6) . ?
Dy2 O22 2.427(6) . ?
Dy2 N3 2.497(7) . ?
Dy3 O5 2.305(7) 2_776 ?
Dy3 O11 2.400(6) . ?
Dy3 O12 2.508(7) . ?
Dy3 O15 2.247(6) . ?
Dy3 O17 2.416(7) . ?
Dy3 O18 2.331(6) . ?
Dy3 O21 2.430(6) . ?
Dy3 O22 2.284(5) . ?
Dy4 O1 2.715(7) . ?
Dy4 O2 2.456(6) . ?
Dy4 O9 2.336(6) 2_776 ?
Dy4 O14 2.345(6) . ?
Dy4 O18 2.394(6) . ?
Dy4 O19 2.543(6) . ?
Dy4 O20 2.387(6) . ?
Dy4 O21 2.375(6) . ?
Dy4 O22 2.470(5) . ?
Cl1 C4 1.727(12) . ?
Cl2 C19 1.750(13) . ?
Cl3 C34 1.776(12) . ?
Cl4 C51 1.790(15) . ?
Cl5 C58 1.840(13) . ?
O1 C1 1.227(12) . ?
O2 C1 1.273(11) . ?
O3 C14 1.298(12) . ?
O4 C13 1.352(15) . ?
O4 C15 1.428(15) . ?
O5 C16 1.283(12) . ?
O6 C16 1.253(11) . ?
O7 C29 1.374(11) . ?
O8 C28 1.419(12) . ?
O8 C30 1.412(12) . ?
O9 C31 1.255(10) . ?
O10 C31 1.273(10) . ?
O11 C44 1.353(10) . ?
O12 C43 1.384(14) . ?
O12 C45 1.437(14) . ?
O13 C46 1.239(13) . ?
O14 C46 1.270(13) . ?
O15 C53 1.264(15) . ?
O16 C53 1.240(18) . ?
O17 C60 1.250(12) . ?
O18 C66 1.309(11) . ?
O19 C65 1.345(12) . ?
O19 C67 1.447(11) . ?
O20 H20 0.9800 . ?
O21 H21 0.9800 . ?
O22 H22 0.9800 . ?
N1 C7 1.459(14) . ?
N1 C8 1.279(12) . ?
N2 C22 1.400(13) . ?
N2 C23 1.295(13) . ?
N3 C37 1.461(13) . ?
N3 C38 1.299(11) . ?
N4 H4A 0.8600 . ?
N4 H4B 0.8600 . ?
N4 C48 1.379(17) . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N5 C55 1.294(17) . ?
C1 C2 1.476(14) . ?
C2 C3 1.422(15) . ?
C2 C7 1.403(15) . ?
C3 H3 0.9300 . ?
C3 C4 1.394(15) . ?
C4 C5 1.361(16) . ?
C5 H5 0.9300 . ?
C5 C6 1.395(15) . ?
C6 H6 0.9300 . ?
C6 C7 1.380(15) . ?
C8 H8 0.9300 . ?
C8 C9 1.427(15) . ?
C9 C10 1.433(14) . ?
C9 C14 1.382(16) . ?
C10 H10 0.9300 . ?
C10 C11 1.359(17) . ?
C11 H11 0.9300 . ?
C11 C12 1.335(18) . ?
C12 H12 0.9300 . ?
C12 C13 1.431(15) . ?
C13 C14 1.408(16) . ?
C15 H15A 0.9598 . ?
C15 H15B 0.9603 . ?
C15 H15C 0.9602 . ?
C16 C17 1.506(14) . ?
C17 C18 1.402(15) . ?
C17 C22 1.430(16) . ?
C18 H18 0.9300 . ?
C18 C19 1.349(15) . ?
C19 C20 1.368(17) . ?
C20 H20A 0.9300 . ?
C20 C21 1.390(15) . ?
C21 H21A 0.9300 . ?
C21 C22 1.352(14) . ?
C23 H23 0.9300 . ?
C23 C24 1.430(15) . ?
C24 C25 1.435(15) . ?
C24 C29 1.374(14) . ?
C25 H25 0.9300 . ?
C25 C26 1.388(15) . ?
C26 H26 0.9300 . ?
C26 C27 1.351(15) . ?
C27 H27 0.9300 . ?
C27 C28 1.380(14) . ?
C28 C29 1.375(14) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.494(13) . ?
C32 C33 1.394(13) . ?
C32 C37 1.404(14) . ?
C33 H33 0.9300 . ?
C33 C34 1.403(14) . ?
C34 C35 1.371(15) . ?
C35 H35 0.9300 . ?
C35 C36 1.369(14) . ?
C36 H36 0.9300 . ?
C36 C37 1.381(13) . ?
C38 H38 0.9300 . ?
C38 C39 1.419(15) . ?
C39 C40 1.417(13) . ?
C39 C44 1.393(15) . ?
C40 H40 0.9300 . ?
C40 C41 1.370(16) . ?
C41 H41 0.9300 . ?
C41 C42 1.394(16) . ?
C42 H42 0.9300 . ?
C42 C43 1.376(14) . ?
C43 C44 1.418(15) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.469(15) . ?
C47 C48 1.405(17) . ?
C47 C52 1.388(17) . ?
C48 C49 1.373(16) . ?
C49 H49 0.9300 . ?
C49 C50 1.341(19) . ?
C50 H50 0.9300 . ?
C50 C51 1.413(18) . ?
C51 C52 1.391(16) . ?
C52 H52 0.9300 . ?
C53 C54 1.444(17) . ?
C55 C54 1.3900 . ?
C55 C56 1.3900 . ?
C54 C59 1.3900 . ?
C59 H59 0.9300 . ?
C59 C58 1.3900 . ?
C58 C57 1.3900 . ?
C57 H57 0.9300 . ?
C57 C56 1.3900 . ?
C56 H56 0.9300 . ?
C60 H60 0.9300 . ?
C60 C61 1.439(15) . ?
C61 C62 1.370(15) . ?
C61 C66 1.412(14) . ?
C62 H62 0.9300 . ?
C62 C63 1.376(15) . ?
C63 H63 0.9300 . ?
C63 C64 1.417(15) . ?
C64 H64 0.9300 . ?
C64 C65 1.374(14) . ?
C65 C66 1.429(14) . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?

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
O2 Dy1 O7 83.1(2) . . ?
O2 Dy1 O20 66.19(19) . . ?
O2 Dy1 N1 69.2(2) . . ?
O2 Dy1 N2 141.1(3) . . ?
O3 Dy1 O2 116.2(2) . . ?
O3 Dy1 O6 87.9(2) . . ?
O3 Dy1 O7 143.2(3) . . ?
O3 Dy1 O13 72.7(3) . . ?
O3 Dy1 O20 146.4(2) . . ?
O3 Dy1 N1 74.4(3) . . ?
O3 Dy1 N2 74.9(3) . . ?
O6 Dy1 O2 144.0(2) . . ?
O6 Dy1 O7 93.0(2) . . ?
O6 Dy1 O13 84.8(2) . . ?
O6 Dy1 O20 78.9(2) . . ?
O6 Dy1 N1 146.4(2) . . ?
O6 Dy1 N2 68.2(2) . . ?
O7 Dy1 O20 68.9(2) . . ?
O7 Dy1 N1 85.3(2) . . ?
O7 Dy1 N2 71.5(2) . . ?
O13 Dy1 O2 78.1(2) . . ?
O13 Dy1 O7 144.0(2) . . ?
O13 Dy1 O20 75.4(2) . . ?
O13 Dy1 N1 115.5(2) . . ?
O13 Dy1 N2 138.2(3) . . ?
O20 Dy1 N1 130.3(2) . . ?
O20 Dy1 N2 126.2(2) . . ?
N1 Dy1 N2 79.5(3) . . ?
O7 Dy2 O8 63.7(2) . . ?
O7 Dy2 O22 135.74(19) . . ?
O7 Dy2 N3 88.4(2) . . ?
O10 Dy2 O7 95.0(2) . . ?
O10 Dy2 O8 136.1(2) . . ?
O10 Dy2 O20 79.27(19) . . ?
O10 Dy2 O22 90.80(19) . . ?
O10 Dy2 N3 70.3(2) . . ?
O11 Dy2 O7 146.9(2) . . ?
O11 Dy2 O8 84.0(2) . . ?
O11 Dy2 O10 104.2(2) . . ?
O11 Dy2 O20 139.7(2) . . ?
O11 Dy2 O22 71.5(2) . . ?
O11 Dy2 N3 73.6(2) . . ?
O20 Dy2 O7 69.8(2) . . ?
O20 Dy2 O8 121.65(19) . . ?
O20 Dy2 O22 68.30(18) . . ?
O20 Dy2 N3 140.8(2) . . ?
O21 Dy2 O7 98.2(2) . . ?
O21 Dy2 O8 72.3(2) . . ?
O21 Dy2 O10 151.5(2) . . ?
O21 Dy2 O11 77.3(2) . . ?
O21 Dy2 O20 81.86(19) . . ?
O21 Dy2 O22 62.34(19) . . ?
O21 Dy2 N3 134.9(2) . . ?
O22 Dy2 O8 131.8(2) . . ?
O22 Dy2 N3 134.3(2) . . ?
N3 Dy2 O8 71.1(2) . . ?
O5 Dy3 O11 107.4(2) 2_776 . ?
O5 Dy3 O12 77.8(3) 2_776 . ?
O5 Dy3 O17 71.8(3) 2_776 . ?
O5 Dy3 O18 91.8(2) 2_776 . ?
O5 Dy3 O21 139.8(2) 2_776 . ?
O11 Dy3 O12 63.6(2) . . ?
O11 Dy3 O17 145.1(2) . . ?
O11 Dy3 O21 72.78(19) . . ?
O15 Dy3 O5 140.4(2) . 2_776 ?
O15 Dy3 O11 86.9(2) . . ?
O15 Dy3 O12 76.1(2) . . ?
O15 Dy3 O17 75.8(2) . . ?
O15 Dy3 O18 100.1(2) . . ?
O15 Dy3 O21 79.4(2) . . ?
O15 Dy3 O22 140.2(2) . . ?
O17 Dy3 O12 82.8(2) . . ?
O17 Dy3 O21 131.1(2) . . ?
O18 Dy3 O11 140.4(2) . . ?
O18 Dy3 O12 156.0(2) . . ?
O18 Dy3 O17 73.4(2) . . ?
O18 Dy3 O21 70.4(2) . . ?
O21 Dy3 O12 130.5(2) . . ?
O22 Dy3 O5 79.1(2) . 2_776 ?
O22 Dy3 O11 72.3(2) . . ?
O22 Dy3 O12 120.2(2) . . ?
O22 Dy3 O17 138.0(2) . . ?
O22 Dy3 O18 78.1(2) . . ?
O22 Dy3 O21 62.35(19) . . ?
O2 Dy4 O1 48.9(2) . . ?
O2 Dy4 O19 102.7(2) . . ?
O2 Dy4 O22 120.51(19) . . ?
O9 Dy4 O1 143.2(2) 2_776 . ?
O9 Dy4 O2 149.5(2) 2_776 . ?
O9 Dy4 O14 73.6(2) 2_776 . ?
O9 Dy4 O18 75.1(2) 2_776 . ?
O9 Dy4 O19 75.9(2) 2_776 . ?
O9 Dy4 O20 106.1(2) 2_776 . ?
O9 Dy4 O21 129.65(19) 2_776 . ?
O9 Dy4 O22 75.35(19) 2_776 . ?
O14 Dy4 O1 99.6(2) . . ?
O14 Dy4 O2 76.6(2) . . ?
O14 Dy4 O18 133.5(2) . . ?
O14 Dy4 O19 75.6(2) . . ?
O14 Dy4 O20 84.1(2) . . ?
O14 Dy4 O21 154.2(2) . . ?
O14 Dy4 O22 128.6(2) . . ?
O18 Dy4 O1 85.8(2) . . ?
O18 Dy4 O2 132.4(2) . . ?
O18 Dy4 O19 63.9(2) . . ?
O18 Dy4 O22 73.37(19) . . ?
O19 Dy4 O1 67.5(2) . . ?
O20 Dy4 O1 109.1(2) . . ?
O20 Dy4 O2 64.27(19) . . ?
O20 Dy4 O18 137.86(19) . . ?
O20 Dy4 O19 158.20(18) . . ?
O20 Dy4 O22 66.64(18) . . ?
O21 Dy4 O1 68.65(19) . . ?
O21 Dy4 O2 78.7(2) . . ?
O21 Dy4 O18 70.3(2) . . ?
O21 Dy4 O19 117.2(2) . . ?
O21 Dy4 O20 78.8(2) . . ?
O21 Dy4 O22 60.54(18) . . ?
O22 Dy4 O1 128.94(19) . . ?
O22 Dy4 O19 133.17(19) . . ?
C1 O1 Dy4 87.7(6) . . ?
Dy1 O2 Dy4 111.5(2) . . ?
C1 O2 Dy1 142.4(7) . . ?
C1 O2 Dy4 98.8(6) . . ?
C14 O3 Dy1 139.5(8) . . ?
C13 O4 C15 116.4(11) . . ?
C16 O5 Dy3 144.9(6) . 2_776 ?
C16 O6 Dy1 132.6(6) . . ?
Dy2 O7 Dy1 110.3(2) . . ?
C29 O7 Dy1 127.1(6) . . ?
C29 O7 Dy2 121.5(6) . . ?
C28 O8 Dy2 113.3(6) . . ?
C30 O8 Dy2 125.4(6) . . ?
C30 O8 C28 118.5(8) . . ?
C31 O9 Dy4 122.5(6) . 2_776 ?
C31 O10 Dy2 130.3(6) . . ?
Dy2 O11 Dy3 97.1(2) . . ?
C44 O11 Dy2 138.5(6) . . ?
C44 O11 Dy3 123.0(6) . . ?
C43 O12 Dy3 117.5(6) . . ?
C43 O12 C45 120.2(9) . . ?
C45 O12 Dy3 121.6(7) . . ?
C46 O13 Dy1 143.6(7) . . ?
C46 O14 Dy4 134.0(7) . . ?
C53 O15 Dy3 140.9(10) . . ?
C60 O17 Dy3 133.5(7) . . ?
Dy3 O18 Dy4 98.3(2) . . ?
C66 O18 Dy3 137.7(6) . . ?
C66 O18 Dy4 123.9(6) . . ?
C65 O19 Dy4 118.9(6) . . ?
C65 O19 C67 116.5(8) . . ?
C67 O19 Dy4 123.1(6) . . ?
Dy1 O20 Dy4 113.8(2) . . ?
Dy1 O20 H20 111.7 . . ?
Dy2 O20 Dy1 110.9(2) . . ?
Dy2 O20 Dy4 96.3(2) . . ?
Dy2 O20 H20 111.7 . . ?
Dy4 O20 H20 111.7 . . ?
Dy2 O21 Dy3 96.60(19) . . ?
Dy2 O21 Dy4 97.7(2) . . ?
Dy2 O21 H21 120.3 . . ?
Dy3 O21 H21 120.3 . . ?
Dy4 O21 Dy3 96.1(2) . . ?
Dy4 O21 H21 120.3 . . ?
Dy2 O22 Dy4 91.59(17) . . ?
Dy2 O22 H22 121.4 . . ?
Dy3 O22 Dy2 96.8(2) . . ?
Dy3 O22 Dy4 97.45(19) . . ?
Dy3 O22 H22 121.4 . . ?
Dy4 O22 H22 121.4 . . ?
C7 N1 Dy1 120.5(6) . . ?
C8 N1 Dy1 125.9(8) . . ?
C8 N1 C7 113.6(9) . . ?
C22 N2 Dy1 118.9(7) . . ?
C23 N2 Dy1 125.3(8) . . ?
C23 N2 C22 115.1(10) . . ?
C37 N3 Dy2 112.4(5) . . ?
C38 N3 Dy2 130.1(7) . . ?
C38 N3 C37 117.1(8) . . ?
H4A N4 H4B 120.0 . . ?
C48 N4 H4A 120.0 . . ?
C48 N4 H4B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C55 N5 H5A 120.0 . . ?
C55 N5 H5B 120.0 . . ?
O1 C1 O2 119.0(9) . . ?
O1 C1 C2 123.5(10) . . ?
O2 C1 C2 117.3(10) . . ?
C3 C2 C1 116.4(10) . . ?
C7 C2 C1 127.3(11) . . ?
C7 C2 C3 116.3(10) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.8(12) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 Cl1 118.1(10) . . ?
C5 C4 Cl1 120.9(10) . . ?
C5 C4 C3 121.0(12) . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(12) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 120.1 . . ?
C7 C6 C5 119.8(12) . . ?
C7 C6 H6 120.1 . . ?
C2 C7 N1 120.3(10) . . ?
C6 C7 N1 117.4(11) . . ?
C6 C7 C2 122.3(11) . . ?
N1 C8 H8 115.7 . . ?
N1 C8 C9 128.6(11) . . ?
C9 C8 H8 115.7 . . ?
C8 C9 C10 114.2(12) . . ?
C14 C9 C8 125.7(10) . . ?
C14 C9 C10 120.1(12) . . ?
C9 C10 H10 121.0 . . ?
C11 C10 C9 118.0(13) . . ?
C11 C10 H10 121.0 . . ?
C10 C11 H11 117.3 . . ?
C12 C11 C10 125.3(12) . . ?
C12 C11 H11 117.3 . . ?
C11 C12 H12 121.7 . . ?
C11 C12 C13 116.6(13) . . ?
C13 C12 H12 121.7 . . ?
O4 C13 C12 123.0(12) . . ?
O4 C13 C14 115.5(10) . . ?
C14 C13 C12 121.5(13) . . ?
O3 C14 C9 122.8(11) . . ?
O3 C14 C13 118.9(12) . . ?
C9 C14 C13 118.3(10) . . ?
O4 C15 H15A 112.2 . . ?
O4 C15 H15B 109.4 . . ?
O4 C15 H15C 106.7 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.4 . . ?
O5 C16 C17 116.4(9) . . ?
O6 C16 O5 122.3(9) . . ?
O6 C16 C17 121.4(10) . . ?
C18 C17 C16 117.5(11) . . ?
C18 C17 C22 118.2(10) . . ?
C22 C17 C16 124.3(10) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 C17 121.5(12) . . ?
C19 C18 H18 119.2 . . ?
C18 C19 Cl2 119.5(11) . . ?
C18 C19 C20 120.7(12) . . ?
C20 C19 Cl2 119.8(9) . . ?
C19 C20 H20A 120.9 . . ?
C19 C20 C21 118.3(11) . . ?
C21 C20 H20A 120.9 . . ?
C20 C21 H21A 118.2 . . ?
C22 C21 C20 123.6(12) . . ?
C22 C21 H21A 118.2 . . ?
N2 C22 C17 119.8(9) . . ?
C21 C22 N2 122.9(11) . . ?
C21 C22 C17 117.3(11) . . ?
N2 C23 H23 116.3 . . ?
N2 C23 C24 127.5(11) . . ?
C24 C23 H23 116.3 . . ?
C23 C24 C25 117.4(11) . . ?
C29 C24 C23 125.0(10) . . ?
C29 C24 C25 117.5(11) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 C24 120.8(11) . . ?
C26 C25 H25 119.6 . . ?
C25 C26 H26 119.9 . . ?
C27 C26 C25 120.2(12) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 120.5 . . ?
C26 C27 C28 119.1(12) . . ?
C28 C27 H27 120.5 . . ?
C27 C28 O8 122.6(11) . . ?
C29 C28 O8 114.7(9) . . ?
C29 C28 C27 122.6(11) . . ?
O7 C29 C24 122.5(10) . . ?
O7 C29 C28 117.6(9) . . ?
C24 C29 C28 119.8(10) . . ?
O8 C30 H30A 109.5 . . ?
O8 C30 H30B 109.5 . . ?
O8 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O9 C31 O10 123.3(8) . . ?
O9 C31 C32 116.2(9) . . ?
O10 C31 C32 120.5(8) . . ?
C33 C32 C31 117.1(9) . . ?
C33 C32 C37 118.5(9) . . ?
C37 C32 C31 124.3(10) . . ?
C32 C33 H33 121.0 . . ?
C32 C33 C34 118.0(10) . . ?
C34 C33 H33 121.0 . . ?
C33 C34 Cl3 116.9(9) . . ?
C35 C34 Cl3 119.7(9) . . ?
C35 C34 C33 123.3(11) . . ?
C34 C35 H35 121.1 . . ?
C36 C35 C34 117.7(11) . . ?
C36 C35 H35 121.1 . . ?
C35 C36 H36 119.4 . . ?
C35 C36 C37 121.3(11) . . ?
C37 C36 H36 119.4 . . ?
C32 C37 N3 117.5(9) . . ?
C36 C37 N3 121.5(10) . . ?
C36 C37 C32 120.9(10) . . ?
N3 C38 H38 116.3 . . ?
N3 C38 C39 127.4(10) . . ?
C39 C38 H38 116.3 . . ?
C40 C39 C38 116.1(10) . . ?
C44 C39 C38 125.1(9) . . ?
C44 C39 C40 118.1(10) . . ?
C39 C40 H40 120.2 . . ?
C41 C40 C39 119.6(11) . . ?
C41 C40 H40 120.2 . . ?
C40 C41 H41 118.6 . . ?
C40 C41 C42 122.8(10) . . ?
C42 C41 H41 118.6 . . ?
C41 C42 H42 120.9 . . ?
C43 C42 C41 118.2(12) . . ?
C43 C42 H42 120.9 . . ?
O12 C43 C44 114.2(9) . . ?
C42 C43 O12 125.2(11) . . ?
C42 C43 C44 120.3(12) . . ?
O11 C44 C39 123.0(9) . . ?
O11 C44 C43 116.0(10) . . ?
C39 C44 C43 120.8(9) . . ?
O12 C45 H45A 109.5 . . ?
O12 C45 H45B 109.5 . . ?
O12 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O13 C46 O14 124.3(10) . . ?
O13 C46 C47 116.8(11) . . ?
O14 C46 C47 118.9(12) . . ?
C48 C47 C46 123.5(13) . . ?
C52 C47 C46 117.4(12) . . ?
C52 C47 C48 119.1(12) . . ?
N4 C48 C47 122.7(12) . . ?
C49 C48 N4 114.7(13) . . ?
C49 C48 C47 122.6(15) . . ?
C48 C49 H49 121.6 . . ?
C50 C49 C48 116.8(14) . . ?
C50 C49 H49 121.6 . . ?
C49 C50 H50 117.9 . . ?
C49 C50 C51 124.1(13) . . ?
C51 C50 H50 117.9 . . ?
C50 C51 Cl4 122.4(11) . . ?
C52 C51 Cl4 119.6(11) . . ?
C52 C51 C50 117.9(14) . . ?
C47 C52 C51 119.4(13) . . ?
C47 C52 H52 120.3 . . ?
C51 C52 H52 120.3 . . ?
O15 C53 C54 124.6(15) . . ?
O16 C53 O15 124.7(15) . . ?
O16 C53 C54 110.3(13) . . ?
N5 C55 C54 127.7(12) . . ?
N5 C55 C56 112.3(12) . . ?
C54 C55 C56 120.0 . . ?
C55 C54 C53 128.5(11) . . ?
C59 C54 C53 110.7(11) . . ?
C59 C54 C55 120.0 . . ?
C54 C59 H59 120.0 . . ?
C54 C59 C58 120.0 . . ?
C58 C59 H59 120.0 . . ?
C59 C58 Cl5 120.6(9) . . ?
C59 C58 C57 120.0 . . ?
C57 C58 Cl5 116.4(10) . . ?
C58 C57 H57 120.0 . . ?
C56 C57 C58 120.0 . . ?
C56 C57 H57 120.0 . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 120.0 . . ?
C57 C56 H56 120.0 . . ?
O17 C60 H60 116.1 . . ?
O17 C60 C61 127.9(10) . . ?
C61 C60 H60 116.1 . . ?
C62 C61 C60 116.6(10) . . ?
C62 C61 C66 120.5(11) . . ?
C66 C61 C60 122.8(10) . . ?
C61 C62 H62 118.7 . . ?
C61 C62 C63 122.5(11) . . ?
C63 C62 H62 118.7 . . ?
C62 C63 H63 121.1 . . ?
C62 C63 C64 117.8(11) . . ?
C64 C63 H63 121.1 . . ?
C63 C64 H64 119.5 . . ?
C65 C64 C63 121.1(11) . . ?
C65 C64 H64 119.5 . . ?
O19 C65 C64 124.8(10) . . ?
O19 C65 C66 114.8(9) . . ?
C64 C65 C66 120.3(10) . . ?
O18 C66 C61 124.1(10) . . ?
O18 C66 C65 118.3(9) . . ?
C61 C66 C65 117.5(10) . . ?
O19 C67 H67A 109.5 . . ?
O19 C67 H67B 109.5 . . ?
O19 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?

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 O2 C1 O1 -169.5(6) . . . . ?
Dy1 O2 C1 C2 6.7(15) . . . . ?
Dy1 O3 C14 C9 -20.8(18) . . . . ?
Dy1 O3 C14 C13 158.7(9) . . . . ?
Dy1 O6 C16 O5 -144.8(8) . . . . ?
Dy1 O6 C16 C17 35.7(16) . . . . ?
Dy1 O7 C29 C24 -42.9(13) . . . . ?
Dy1 O7 C29 C28 140.3(7) . . . . ?
Dy1 O13 C46 O14 -15(2) . . . . ?
Dy1 O13 C46 C47 164.9(8) . . . . ?
Dy1 N1 C7 C2 -47.4(12) . . . . ?
Dy1 N1 C7 C6 134.0(8) . . . . ?
Dy1 N1 C8 C9 -3.2(17) . . . . ?
Dy1 N2 C22 C17 -49.8(12) . . . . ?
Dy1 N2 C22 C21 128.1(10) . . . . ?
Dy1 N2 C23 C24 12.4(15) . . . . ?
Dy2 O7 C29 C24 150.3(8) . . . . ?
Dy2 O7 C29 C28 -26.5(12) . . . . ?
Dy2 O8 C28 C27 -158.1(9) . . . . ?
Dy2 O8 C28 C29 20.7(10) . . . . ?
Dy2 O10 C31 O9 -168.3(5) . . . . ?
Dy2 O10 C31 C32 11.0(11) . . . . ?
Dy2 O11 C44 C39 -0.5(16) . . . . ?
Dy2 O11 C44 C43 173.8(7) . . . . ?
Dy2 N3 C37 C32 -51.9(10) . . . . ?
Dy2 N3 C37 C36 125.5(8) . . . . ?
Dy2 N3 C38 C39 5.9(17) . . . . ?
Dy3 O5 C16 O6 -3(2) 2_776 . . . ?
Dy3 O5 C16 C17 176.6(8) 2_776 . . . ?
Dy3 O11 C44 C39 -163.5(8) . . . . ?
Dy3 O11 C44 C43 10.8(12) . . . . ?
Dy3 O12 C43 C42 161.3(10) . . . . ?
Dy3 O12 C43 C44 -24.2(13) . . . . ?
Dy3 O15 C53 O16 -47(3) . . . . ?
Dy3 O15 C53 C54 139.9(13) . . . . ?
Dy3 O17 C60 C61 -4(2) . . . . ?
Dy3 O18 C66 C61 -6(2) . . . . ?
Dy3 O18 C66 C65 169.9(7) . . . . ?
Dy4 O1 C1 O2 22.7(9) . . . . ?
Dy4 O1 C1 C2 -153.3(9) . . . . ?
Dy4 O2 C1 O1 -25.5(10) . . . . ?
Dy4 O2 C1 C2 150.7(8) . . . . ?
Dy4 O9 C31 O10 -11.4(11) 2_776 . . . ?
Dy4 O9 C31 C32 169.3(5) 2_776 . . . ?
Dy4 O14 C46 O13 -9.8(18) . . . . ?
Dy4 O14 C46 C47 170.3(7) . . . . ?
Dy4 O18 C66 C61 178.8(9) . . . . ?
Dy4 O18 C66 C65 -5.5(15) . . . . ?
Dy4 O19 C65 C64 -177.9(10) . . . . ?
Dy4 O19 C65 C66 -1.7(13) . . . . ?
Cl1 C4 C5 C6 179.7(9) . . . . ?
Cl2 C19 C20 C21 -178.1(9) . . . . ?
Cl3 C34 C35 C36 177.8(8) . . . . ?
Cl4 C51 C52 C47 175.6(10) . . . . ?
Cl5 C58 C57 C56 -160.7(12) . . . . ?
O1 C1 C2 C3 20.5(15) . . . . ?
O1 C1 C2 C7 -162.9(10) . . . . ?
O2 C1 C2 C3 -155.5(9) . . . . ?
O2 C1 C2 C7 21.1(16) . . . . ?
O4 C13 C14 O3 1.7(18) . . . . ?
O4 C13 C14 C9 -178.7(11) . . . . ?
O5 C16 C17 C18 8.8(16) . . . . ?
O5 C16 C17 C22 -173.5(11) . . . . ?
O6 C16 C17 C18 -171.7(10) . . . . ?
O6 C16 C17 C22 6.0(18) . . . . ?
O8 C28 C29 O7 1.0(13) . . . . ?
O8 C28 C29 C24 -175.9(9) . . . . ?
O9 C31 C32 C33 31.8(11) . . . . ?
O9 C31 C32 C37 -145.8(9) . . . . ?
O10 C31 C32 C33 -147.5(8) . . . . ?
O10 C31 C32 C37 34.9(13) . . . . ?
O12 C43 C44 O11 9.6(15) . . . . ?
O12 C43 C44 C39 -176.0(10) . . . . ?
O13 C46 C47 C48 -18.5(18) . . . . ?
O13 C46 C47 C52 162.5(11) . . . . ?
O14 C46 C47 C48 161.4(12) . . . . ?
O14 C46 C47 C52 -17.6(17) . . . . ?
O15 C53 C54 C55 179.7(13) . . . . ?
O15 C53 C54 C59 -11(2) . . . . ?
O16 C53 C54 C55 6(2) . . . . ?
O16 C53 C54 C59 174.6(13) . . . . ?
O17 C60 C61 C62 -175.5(14) . . . . ?
O17 C60 C61 C66 8(2) . . . . ?
O19 C65 C66 O18 4.5(17) . . . . ?
O19 C65 C66 C61 -179.6(11) . . . . ?
N1 C8 C9 C10 -172.0(11) . . . . ?
N1 C8 C9 C14 11(2) . . . . ?
N2 C23 C24 C25 -167.0(10) . . . . ?
N2 C23 C24 C29 16.7(18) . . . . ?
N3 C38 C39 C40 -178.0(11) . . . . ?
N3 C38 C39 C44 11(2) . . . . ?
N4 C48 C49 C50 178.0(14) . . . . ?
N5 C55 C54 C53 -14(2) . . . . ?
N5 C55 C54 C59 178.1(18) . . . . ?
N5 C55 C56 C57 -178.4(16) . . . . ?
C1 C2 C3 C4 175.7(10) . . . . ?
C1 C2 C7 N1 3.9(16) . . . . ?
C1 C2 C7 C6 -177.5(10) . . . . ?
C2 C3 C4 Cl1 -178.4(8) . . . . ?
C2 C3 C4 C5 2.4(17) . . . . ?
C3 C2 C7 N1 -179.5(9) . . . . ?
C3 C2 C7 C6 -1.0(16) . . . . ?
C3 C4 C5 C6 -1.2(18) . . . . ?
C4 C5 C6 C7 -1.1(17) . . . . ?
C5 C6 C7 N1 -179.3(9) . . . . ?
C5 C6 C7 C2 2.2(17) . . . . ?
C7 N1 C8 C9 176.2(11) . . . . ?
C7 C2 C3 C4 -1.3(16) . . . . ?
C8 N1 C7 C2 133.2(11) . . . . ?
C8 N1 C7 C6 -45.4(14) . . . . ?
C8 C9 C10 C11 178.5(11) . . . . ?
C8 C9 C14 O3 0(2) . . . . ?
C8 C9 C14 C13 -179.9(11) . . . . ?
C9 C10 C11 C12 2(2) . . . . ?
C10 C9 C14 O3 -177.4(10) . . . . ?
C10 C9 C14 C13 3.1(18) . . . . ?
C10 C11 C12 C13 1(2) . . . . ?
C11 C12 C13 O4 176.8(13) . . . . ?
C11 C12 C13 C14 -1.7(19) . . . . ?
C12 C13 C14 O3 -179.7(11) . . . . ?
C12 C13 C14 C9 -0.2(19) . . . . ?
C14 C9 C10 C11 -4.2(18) . . . . ?
C15 O4 C13 C12 1.7(19) . . . . ?
C15 O4 C13 C14 -179.7(11) . . . . ?
C16 C17 C18 C19 173.0(11) . . . . ?
C16 C17 C22 N2 7.0(18) . . . . ?
C16 C17 C22 C21 -171.0(11) . . . . ?
C17 C18 C19 Cl2 -178.2(9) . . . . ?
C17 C18 C19 C20 -1(2) . . . . ?
C18 C17 C22 N2 -175.3(10) . . . . ?
C18 C17 C22 C21 6.6(17) . . . . ?
C18 C19 C20 C21 4(2) . . . . ?
C19 C20 C21 C22 -2(2) . . . . ?
C20 C21 C22 N2 178.9(11) . . . . ?
C20 C21 C22 C17 -3.1(18) . . . . ?
C22 N2 C23 C24 -177.8(10) . . . . ?
C22 C17 C18 C19 -4.9(18) . . . . ?
C23 N2 C22 C17 139.7(11) . . . . ?
C23 N2 C22 C21 -42.4(15) . . . . ?
C23 C24 C25 C26 -177.3(10) . . . . ?
C23 C24 C29 O7 -2.5(17) . . . . ?
C23 C24 C29 C28 174.2(10) . . . . ?
C24 C25 C26 C27 2.9(18) . . . . ?
C25 C24 C29 O7 -178.8(9) . . . . ?
C25 C24 C29 C28 -2.1(16) . . . . ?
C25 C26 C27 C28 -2.2(18) . . . . ?
C26 C27 C28 O8 178.0(10) . . . . ?
C26 C27 C28 C29 -0.7(17) . . . . ?
C27 C28 C29 O7 179.8(9) . . . . ?
C27 C28 C29 C24 2.9(17) . . . . ?
C29 C24 C25 C26 -0.7(17) . . . . ?
C30 O8 C28 C27 4.1(15) . . . . ?
C30 O8 C28 C29 -177.1(9) . . . . ?
C31 C32 C33 C34 -178.8(8) . . . . ?
C31 C32 C37 N3 -6.8(13) . . . . ?
C31 C32 C37 C36 175.8(9) . . . . ?
C32 C33 C34 Cl3 -177.6(7) . . . . ?
C32 C33 C34 C35 4.0(15) . . . . ?
C33 C32 C37 N3 175.6(8) . . . . ?
C33 C32 C37 C36 -1.8(14) . . . . ?
C33 C34 C35 C36 -3.9(16) . . . . ?
C34 C35 C36 C37 0.8(15) . . . . ?
C35 C36 C37 N3 -175.3(9) . . . . ?
C35 C36 C37 C32 2.0(15) . . . . ?
C37 N3 C38 C39 178.0(11) . . . . ?
C37 C32 C33 C34 -1.0(13) . . . . ?
C38 N3 C37 C32 134.6(9) . . . . ?
C38 N3 C37 C36 -48.0(13) . . . . ?
C38 C39 C40 C41 -172.9(12) . . . . ?
C38 C39 C44 O11 -14.4(18) . . . . ?
C38 C39 C44 C43 171.6(11) . . . . ?
C39 C40 C41 C42 2(2) . . . . ?
C40 C39 C44 O11 175.0(10) . . . . ?
C40 C39 C44 C43 0.9(17) . . . . ?
C40 C41 C42 C43 -2(2) . . . . ?
C41 C42 C43 O12 176.0(12) . . . . ?
C41 C42 C43 C44 2(2) . . . . ?
C42 C43 C44 O11 -175.6(11) . . . . ?
C42 C43 C44 C39 -1.2(18) . . . . ?
C44 C39 C40 C41 -1.4(18) . . . . ?
C45 O12 C43 C42 -8.9(19) . . . . ?
C45 O12 C43 C44 165.6(12) . . . . ?
C46 C47 C48 N4 4(2) . . . . ?
C46 C47 C48 C49 -177.5(13) . . . . ?
C46 C47 C52 C51 178.4(11) . . . . ?
C47 C48 C49 C50 -1(2) . . . . ?
C48 C47 C52 C51 -1(2) . . . . ?
C48 C49 C50 C51 -1(2) . . . . ?
C49 C50 C51 Cl4 -174.4(13) . . . . ?
C49 C50 C51 C52 2(2) . . . . ?
C50 C51 C52 C47 -1(2) . . . . ?
C52 C47 C48 N4 -177.0(13) . . . . ?
C52 C47 C48 C49 2(2) . . . . ?
C53 C54 C59 C58 -170.1(14) . . . . ?
C55 C54 C59 C58 0.0 . . . . ?
C54 C55 C56 C57 0.0 . . . . ?
C54 C59 C58 Cl5 159.9(12) . . . . ?
C54 C59 C58 C57 0.0 . . . . ?
C59 C58 C57 C56 0.0 . . . . ?
C58 C57 C56 C55 0.0 . . . . ?
C56 C55 C54 C53 168.1(17) . . . . ?
C56 C55 C54 C59 0.0 . . . . ?
C60 C61 C62 C63 -178.2(13) . . . . ?
C60 C61 C66 O18 -4(2) . . . . ?
C60 C61 C66 C65 -179.2(12) . . . . ?
C61 C62 C63 C64 -3(2) . . . . ?
C62 C61 C66 O18 -179.9(12) . . . . ?
C62 C61 C66 C65 4(2) . . . . ?
C62 C63 C64 C65 4(2) . . . . ?
C63 C64 C65 O19 175.0(12) . . . . ?
C63 C64 C65 C66 -1(2) . . . . ?
C64 C65 C66 O18 -179.1(11) . . . . ?
C64 C65 C66 C61 -3.2(19) . . . . ?
C66 C61 C62 C63 -2(2) . . . . ?
C67 O19 C65 C64 15.8(17) . . . . ?
C67 O19 C65 C66 -168.0(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
