# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_sor-8_1
_database_code_depnum_ccdc_archive 'CCDC 2049538'
loop_
_audit_author_name
_audit_author_address
'Soeren Schlittenhardt'
;Karlsruhe Institute of Technology
Germany
;
_audit_update_record             
;
2021-02-10 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_audit_creation_date             2021-02-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C76 H154 Dy4 N10 O24, C7 H8'
_chemical_formula_sum            'C83 H162 Dy4 N10 O24'
_chemical_formula_weight         2334.22
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Dy4 N10 O24 C76 H154'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   25.3429(3)
_cell_length_b                   16.74118(16)
_cell_length_c                   25.2476(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.0169(10)
_cell_angle_gamma                90
_cell_volume                     10477.09(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    25772
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      27.0790
_cell_measurement_theta_min      2.1050
_shelx_estimated_absorpt_T_max   0.761
_shelx_estimated_absorpt_T_min   0.655
_exptl_absorpt_coefficient_mu    2.888
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93039
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4744
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            48544
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.332
_diffrn_ambient_temperature      180.0
_diffrn_detector                 'imaging plate (34 cm diameter)'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -90.00  80.00   1.00  240.60    --    0.00 180.00 214.00  170
  2  ω    -90.00 -30.00   1.00  240.60    --    0.00 180.00  32.00   60
;
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS2T'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0191398000
_diffrn_orient_matrix_UB_12      -0.0041218000
_diffrn_orient_matrix_UB_13      -0.0167112000
_diffrn_orient_matrix_UB_21      0.0188612000
_diffrn_orient_matrix_UB_22      0.0227047000
_diffrn_orient_matrix_UB_23      0.0187484000
_diffrn_orient_matrix_UB_31      0.0098467000
_diffrn_orient_matrix_UB_32      -0.0355371000
_diffrn_orient_matrix_UB_33      0.0139213000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9201
_reflns_number_total             10687
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.04
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.425
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         10687
_refine_ls_number_restraints     181
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0254
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0255P)²+4.3518P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0534
_refine_ls_wR_factor_ref         0.0566
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C105-C107 \\sim C107-C101
 with sigma of 0.02
 N4B-C4 \\sim C4-N4A
 with sigma of 0.02
 C27B-N4B \\sim N4B-C24B \\sim C27A-N4A \\sim N4A-C24A
 with sigma of 0.02
 C25B-C24B \\sim C24B-C26B \\sim C26A-C24A \\sim C24A-C25A \\sim C28A-C27A
\\sim C27A-C29A \\sim C29B-
 C27B \\sim C27B-C28B
 with sigma of 0.02
3. Restrained planarity
 C105, C101, C102, C106, C103, C107, C104
 with sigma of 0.1
4. Rigid body (RIGU) restrains
 N4A, C29A, C26A, C27A, C25A, C24A, C28A, C4
 with sigma for 1-2 distances of 0.0005 and sigma for 1-3 distances of 0.0005
 N4B, C24B, C27B, C25B, C26B, C28B, C29B, C4
 with sigma for 1-2 distances of 0.0005 and sigma for 1-3 distances of 0.0005
 C105, C107, C106, C101, C102, C104, C103
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(N4B)=Sof(C24B)=Sof(H24B)=Sof(C27B)=Sof(H27B)=Sof(C25B)=Sof(H25D)=
 Sof(H25E)=Sof(H25F)=Sof(C26B)=Sof(H26D)=Sof(H26E)=Sof(H26F)=Sof(C28B)=
 Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29B)=Sof(H29D)=Sof(H29E)=Sof(H29F)=1-FVAR(1)
 Sof(N4A)=Sof(C29A)=Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C26A)=Sof(H26A)=
 Sof(H26B)=Sof(H26C)=Sof(C27A)=Sof(H27A)=Sof(C25A)=Sof(H25A)=Sof(H25B)=
 Sof(H25C)=Sof(C24A)=Sof(H24A)=Sof(C28A)=Sof(H28A)=Sof(H28B)=Sof(H28C)=FVAR(1)
 Fixed Sof: C107(0.5) H10D(0.5) H10E(0.5) H10F(0.5) C106(0.5) C101(0.5)
 H101(0.5) C102(0.5) H102(0.5) C103(0.5) H103(0.5) C104(0.5) H104(0.5)
 C105(0.5) H105(0.5)
6.a Ternary CH refined with riding coordinates:
 C12(H12), C15(H15), C30(H30), C9(H9), C33(H33), C21(H21), C18(H18), C6(H6),
 C27A(H27A), C24A(H24A), C24B(H24B), C27B(H27B)
6.b Secondary CH2 refined with riding coordinates:
 C37(H37A,H37B), C36(H36A,H36B)
6.c Aromatic/amide H refined with riding coordinates:
 C101(H101), C102(H102), C103(H103), C104(H104), C105(H105)
6.d Fitted hexagon refined as free rotating group:
 C106(C101,C102,C103,C104,C105)
6.e Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C38(H38A,H38B,H38C), C13(H13A,H13B,H13C), C11(H11A,H11B,
 H11C), C32(H32A,H32B,H32C), C23(H23A,H23B,H23C), C16(H16A,H16B,H16C), C14(H14A,
 H14B,H14C), C34(H34A,H34B,H34C), C10(H10A,H10B,H10C), C31(H31A,H31B,H31C),
 C7(H7A,H7B,H7C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C35(H35A,H35B,H35C),
  C8(H8A,H8B,H8C), C22(H22A,H22B,H22C), C29A(H29A,H29B,H29C), C26A(H26A,H26B,
 H26C), C25A(H25A,H25B,H25C), C28A(H28A,H28B,H28C), C25B(H25D,H25E,H25F),
 C26B(H26D,H26E,H26F), C28B(H28D,H28E,H28F), C29B(H29D,H29E,H29F), C107(H10D,
 H10E,H10F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.79118(2) 0.32837(2) 0.54727(2) 0.01369(4) Uani 1 1 d . . . . .
Dy2 Dy 0.72051(2) 0.39215(2) 0.40993(2) 0.01628(4) Uani 1 1 d . . . . .
O3 O 0.82897(8) 0.45915(12) 0.56413(8) 0.0220(5) Uani 1 1 d . . . . .
O5 O 0.79813(8) 0.31717(12) 0.63663(8) 0.0224(5) Uani 1 1 d . . . . .
O10 O 0.65038(8) 0.47064(13) 0.35514(9) 0.0267(5) Uani 1 1 d . . . . .
O2 O 0.88508(8) 0.30955(12) 0.55958(9) 0.0233(5) Uani 1 1 d . . . . .
O4 O 0.79893(7) 0.42927(12) 0.47797(8) 0.0179(4) Uani 1 1 d . . . . .
O12 O 0.69968(8) 0.13673(13) 0.63192(8) 0.0223(5) Uani 1 1 d . . . . .
O9 O 0.73562(8) 0.50745(13) 0.36419(9) 0.0264(5) Uani 1 1 d . . . . .
O11 O 0.72917(7) 0.22191(11) 0.54527(7) 0.0137(4) Uani 1 1 d . . . . .
O1 O 0.84216(7) 0.19588(12) 0.56370(8) 0.0186(4) Uani 1 1 d . . . . .
O7 O 0.71426(8) 0.40037(13) 0.54125(11) 0.0344(6) Uani 1 1 d . . . . .
O6 O 0.80803(8) 0.19089(13) 0.66555(9) 0.0248(5) Uani 1 1 d . . . . .
O8 O 0.68985(8) 0.47728(14) 0.46905(9) 0.0300(5) Uani 1 1 d . . . . .
N2 N 0.85651(10) 0.53542(15) 0.50015(11) 0.0236(6) Uani 1 1 d . . . . .
N1 N 0.93348(9) 0.19486(16) 0.56556(12) 0.0261(6) Uani 1 1 d . . . . .
N3 N 0.85376(11) 0.29055(18) 0.71672(10) 0.0297(6) Uani 1 1 d . . . . .
N5 N 0.66915(10) 0.59273(16) 0.32253(12) 0.0290(6) Uani 1 1 d . . . . .
C1 C 0.88612(11) 0.23422(18) 0.56325(12) 0.0201(6) Uani 1 1 d . . . . .
C12 C 0.89865(13) 0.5757(2) 0.54111(14) 0.0312(8) Uani 1 1 d . . . . .
H12 H 0.917865 0.612876 0.520536 0.037 Uiso 1 1 calc R U . . .
C2 C 0.82756(11) 0.47453(17) 0.51510(13) 0.0189(6) Uani 1 1 d . . . . .
C15 C 0.85545(13) 0.5504(2) 0.44238(14) 0.0285(7) Uani 1 1 d . . . . .
H15 H 0.823595 0.521001 0.421211 0.034 Uiso 1 1 calc R U . . .
C30 C 0.61152(14) 0.6129(2) 0.30528(16) 0.0373(9) Uani 1 1 d . . . . .
H30 H 0.609918 0.666375 0.287297 0.045 Uiso 1 1 calc R U . . .
C17 C 0.84667(15) 0.6386(2) 0.42855(17) 0.0400(9) Uani 1 1 d . . . . .
H17A H 0.813399 0.656766 0.438764 0.060 Uiso 1 1 calc R U . . .
H17B H 0.843687 0.646200 0.389556 0.060 Uiso 1 1 calc R U . . .
H17C H 0.877269 0.669573 0.448444 0.060 Uiso 1 1 calc R U . . .
C5 C 0.68472(12) 0.52215(19) 0.34758(13) 0.0236(7) Uani 1 1 d . . . . .
C9 C 0.98246(12) 0.2396(2) 0.55870(15) 0.0313(8) Uani 1 1 d . . . . .
H9 H 1.011016 0.198418 0.558445 0.038 Uiso 1 1 calc R U . . .
C38 C 0.70050(15) 0.1152(2) 0.68731(14) 0.0370(9) Uani 1 1 d . . . . .
H38A H 0.711585 0.059296 0.693257 0.056 Uiso 1 1 calc R U . . .
H38B H 0.664368 0.122166 0.694833 0.056 Uiso 1 1 calc R U . . .
H38C H 0.726102 0.149556 0.711542 0.056 Uiso 1 1 calc R U . . .
C37 C 0.68194(12) 0.21757(18) 0.62057(12) 0.0211(6) Uani 1 1 d . . . . .
H37A H 0.707982 0.255132 0.642251 0.025 Uiso 1 1 calc R U . . .
H37B H 0.646333 0.225631 0.630065 0.025 Uiso 1 1 calc R U . . .
C13 C 0.87537(16) 0.6275(2) 0.58014(18) 0.0483(11) Uani 1 1 d . . . . .
H13A H 0.847999 0.663304 0.559589 0.072 Uiso 1 1 calc R U . . .
H13B H 0.904284 0.659156 0.602281 0.072 Uiso 1 1 calc R U . . .
H13C H 0.858821 0.593308 0.603692 0.072 Uiso 1 1 calc R U . . .
C36 C 0.67798(11) 0.23259(18) 0.56146(11) 0.0171(6) Uani 1 1 d . . . . .
H36A H 0.651090 0.195611 0.540371 0.020 Uiso 1 1 calc R U . . .
H36B H 0.665058 0.287822 0.552821 0.020 Uiso 1 1 calc R U . . .
C4 C 0.69695(11) 0.46625(17) 0.51915(13) 0.0199(6) Uani 1 1 d D . . . .
C11 C 0.97515(15) 0.2828(3) 0.50491(16) 0.0490(11) Uani 1 1 d . . . . .
H11A H 0.960279 0.245771 0.475500 0.073 Uiso 1 1 calc R U . . .
H11B H 1.010132 0.302733 0.499900 0.073 Uiso 1 1 calc R U . . .
H11C H 0.950314 0.327724 0.504547 0.073 Uiso 1 1 calc R U . . .
C33 C 0.71020(14) 0.6512(2) 0.31381(15) 0.0328(8) Uani 1 1 d . . . . .
H33 H 0.746316 0.627838 0.329849 0.039 Uiso 1 1 calc R U . . .
C3 C 0.81885(11) 0.2640(2) 0.67120(12) 0.0209(6) Uani 1 1 d . . . . .
C21 C 0.86698(16) 0.3769(2) 0.72103(16) 0.0413(10) Uani 1 1 d . . . . .
H21 H 0.838275 0.404461 0.694033 0.050 Uiso 1 1 calc R U . . .
C32 C 0.58462(17) 0.6228(3) 0.35358(18) 0.0524(12) Uani 1 1 d . . . . .
H32A H 0.586910 0.572433 0.373705 0.079 Uiso 1 1 calc R U . . .
H32B H 0.546647 0.637320 0.340716 0.079 Uiso 1 1 calc R U . . .
H32C H 0.603009 0.665005 0.377369 0.079 Uiso 1 1 calc R U . . .
C23 C 0.8639(2) 0.4110(3) 0.7754(2) 0.0661(14) Uani 1 1 d . . . . .
H23A H 0.828324 0.399686 0.783163 0.099 Uiso 1 1 calc R U . . .
H23B H 0.869457 0.468949 0.775098 0.099 Uiso 1 1 calc R U . . .
H23C H 0.891892 0.386706 0.803421 0.099 Uiso 1 1 calc R U . . .
C18 C 0.88581(15) 0.2347(3) 0.75510(15) 0.0455(10) Uani 1 1 d . . . . .
H18 H 0.911026 0.268856 0.781391 0.055 Uiso 1 1 calc R U . . .
C16 C 0.90535(15) 0.5165(2) 0.42553(16) 0.0416(9) Uani 1 1 d . . . . .
H16A H 0.937434 0.545457 0.444271 0.062 Uiso 1 1 calc R U . . .
H16B H 0.901639 0.522375 0.386308 0.062 Uiso 1 1 calc R U . . .
H16C H 0.909046 0.459733 0.435180 0.062 Uiso 1 1 calc R U . . .
C14 C 0.94123(14) 0.5169(2) 0.57013(17) 0.0461(11) Uani 1 1 d . . . . .
H14A H 0.924710 0.480220 0.592220 0.069 Uiso 1 1 calc R U . . .
H14B H 0.970493 0.546448 0.593486 0.069 Uiso 1 1 calc R U . . .
H14C H 0.955755 0.486359 0.543281 0.069 Uiso 1 1 calc R U . . .
C6 C 0.93729(14) 0.1077(2) 0.5693(2) 0.0469(11) Uani 1 1 d . . . . .
H6 H 0.902033 0.087641 0.575904 0.056 Uiso 1 1 calc R U . . .
C34 C 0.70826(18) 0.6636(3) 0.25389(17) 0.0542(12) Uani 1 1 d . . . . .
H34A H 0.715244 0.612781 0.237379 0.081 Uiso 1 1 calc R U . . .
H34B H 0.735765 0.702684 0.249292 0.081 Uiso 1 1 calc R U . . .
H34C H 0.672521 0.683467 0.236295 0.081 Uiso 1 1 calc R U . . .
C10 C 1.00399(13) 0.2939(2) 0.60723(16) 0.0400(9) Uani 1 1 d . . . . .
H10A H 0.979104 0.338686 0.607295 0.060 Uiso 1 1 calc R U . . .
H10B H 1.039568 0.314435 0.604589 0.060 Uiso 1 1 calc R U . . .
H10C H 1.007082 0.263342 0.640843 0.060 Uiso 1 1 calc R U . . .
C31 C 0.58183(14) 0.5552(3) 0.26306(17) 0.0513(11) Uani 1 1 d . . . . .
H31A H 0.601673 0.549530 0.233845 0.077 Uiso 1 1 calc R U . . .
H31B H 0.545565 0.575789 0.248197 0.077 Uiso 1 1 calc R U . . .
H31C H 0.579068 0.503030 0.279860 0.077 Uiso 1 1 calc R U . . .
C7 C 0.98129(16) 0.0806(3) 0.6175(2) 0.0711(17) Uani 1 1 d . . . . .
H7A H 1.016597 0.098742 0.612175 0.107 Uiso 1 1 calc R U . . .
H7B H 0.981160 0.022196 0.619973 0.107 Uiso 1 1 calc R U . . .
H7C H 0.974186 0.103635 0.650993 0.107 Uiso 1 1 calc R U . . .
C19 C 0.92160(17) 0.1822(3) 0.7292(2) 0.0629(14) Uani 1 1 d . . . . .
H19A H 0.899363 0.143924 0.704885 0.094 Uiso 1 1 calc R U . . .
H19B H 0.946809 0.153242 0.757341 0.094 Uiso 1 1 calc R U . . .
H19C H 0.941901 0.215374 0.708386 0.094 Uiso 1 1 calc R U . . .
C20 C 0.8536(2) 0.1898(3) 0.7884(2) 0.0735(16) Uani 1 1 d . . . . .
H20A H 0.832843 0.227486 0.805665 0.110 Uiso 1 1 calc R U . . .
H20B H 0.877980 0.159166 0.816402 0.110 Uiso 1 1 calc R U . . .
H20C H 0.828890 0.153161 0.765167 0.110 Uiso 1 1 calc R U . . .
C35 C 0.7055(2) 0.7297(3) 0.3436(2) 0.0612(13) Uani 1 1 d . . . . .
H35A H 0.670488 0.754390 0.328905 0.092 Uiso 1 1 calc R U . . .
H35B H 0.734467 0.765969 0.338637 0.092 Uiso 1 1 calc R U . . .
H35C H 0.708667 0.718930 0.382269 0.092 Uiso 1 1 calc R U . . .
C8 C 0.94485(17) 0.0721(3) 0.5168(2) 0.0797(19) Uani 1 1 d . . . . .
H8A H 0.916082 0.090843 0.487249 0.120 Uiso 1 1 calc R U . . .
H8B H 0.943493 0.013693 0.518987 0.120 Uiso 1 1 calc R U . . .
H8C H 0.979926 0.088474 0.509883 0.120 Uiso 1 1 calc R U . . .
C22 C 0.9189(2) 0.3944(3) 0.7046(2) 0.0741(16) Uani 1 1 d . . . . .
H22A H 0.948740 0.371450 0.731169 0.111 Uiso 1 1 calc R U . . .
H22B H 0.923679 0.452362 0.702826 0.111 Uiso 1 1 calc R U . . .
H22C H 0.918304 0.370945 0.668909 0.111 Uiso 1 1 calc R U . . .
N4A N 0.6913(5) 0.5207(5) 0.5572(4) 0.0311(15) Uani 0.424(8) 1 d D . P A 1
C29A C 0.7227(5) 0.6429(7) 0.5165(7) 0.042(3) Uani 0.424(8) 1 d D . P A 1
H29A H 0.758531 0.626409 0.536228 0.063 Uiso 0.424(8) 1 calc R U P A 1
H29B H 0.719937 0.701291 0.517362 0.063 Uiso 0.424(8) 1 calc R U P A 1
H29C H 0.717362 0.624895 0.478808 0.063 Uiso 0.424(8) 1 calc R U P A 1
C26A C 0.7475(6) 0.5397(12) 0.6500(6) 0.057(4) Uani 0.424(8) 1 d D . P A 1
H26A H 0.779886 0.531663 0.635120 0.085 Uiso 0.424(8) 1 calc R U P A 1
H26B H 0.753805 0.518442 0.686986 0.085 Uiso 0.424(8) 1 calc R U P A 1
H26C H 0.739485 0.596898 0.650621 0.085 Uiso 0.424(8) 1 calc R U P A 1
C27A C 0.6792(3) 0.6055(5) 0.5433(5) 0.0331(16) Uani 0.424(8) 1 d D . P A 1
H27A H 0.680947 0.634442 0.578263 0.040 Uiso 0.424(8) 1 calc R U P A 1
C25A C 0.6462(5) 0.5050(8) 0.6332(7) 0.051(3) Uani 0.424(8) 1 d D . P A 1
H25A H 0.632692 0.559639 0.625977 0.077 Uiso 0.424(8) 1 calc R U P A 1
H25B H 0.651828 0.494003 0.672055 0.077 Uiso 0.424(8) 1 calc R U P A 1
H25C H 0.619902 0.467178 0.613240 0.077 Uiso 0.424(8) 1 calc R U P A 1
C24A C 0.6999(4) 0.4961(7) 0.6147(4) 0.0376(18) Uani 0.424(8) 1 d D . P A 1
H24A H 0.708949 0.437912 0.616305 0.045 Uiso 0.424(8) 1 calc R U P A 1
C28A C 0.6232(4) 0.6192(6) 0.5097(4) 0.038(2) Uani 0.424(8) 1 d D . P A 1
H28A H 0.619061 0.589698 0.475574 0.057 Uiso 0.424(8) 1 calc R U P A 1
H28B H 0.617836 0.676313 0.502109 0.057 Uiso 0.424(8) 1 calc R U P A 1
H28C H 0.596378 0.600290 0.529761 0.057 Uiso 0.424(8) 1 calc R U P A 1
N4B N 0.6809(3) 0.5294(4) 0.5463(2) 0.0257(11) Uani 0.576(8) 1 d D . P A 2
C24B C 0.6866(3) 0.5325(5) 0.6053(2) 0.0336(13) Uani 0.576(8) 1 d D . P A 2
H24B H 0.674713 0.587176 0.613845 0.040 Uiso 0.576(8) 1 calc R U P A 2
C27B C 0.6621(3) 0.6030(3) 0.5150(3) 0.0279(12) Uani 0.576(8) 1 d D . P A 2
H27B H 0.650366 0.586231 0.476335 0.033 Uiso 0.576(8) 1 calc R U P A 2
C25B C 0.6496(4) 0.4736(5) 0.6267(5) 0.047(2) Uani 0.576(8) 1 d D . P A 2
H25D H 0.612292 0.481451 0.607178 0.070 Uiso 0.576(8) 1 calc R U P A 2
H25E H 0.651993 0.482981 0.665449 0.070 Uiso 0.576(8) 1 calc R U P A 2
H25F H 0.660921 0.418834 0.621145 0.070 Uiso 0.576(8) 1 calc R U P A 2
C26B C 0.7441(4) 0.5230(8) 0.6372(4) 0.044(2) Uani 0.576(8) 1 d D . P A 2
H26D H 0.756020 0.467876 0.634007 0.066 Uiso 0.576(8) 1 calc R U P A 2
H26E H 0.745512 0.535497 0.675409 0.066 Uiso 0.576(8) 1 calc R U P A 2
H26F H 0.767839 0.559554 0.622779 0.066 Uiso 0.576(8) 1 calc R U P A 2
C28B C 0.6132(3) 0.6418(5) 0.5309(3) 0.0368(16) Uani 0.576(8) 1 d D . P A 2
H28D H 0.586787 0.600568 0.534711 0.055 Uiso 0.576(8) 1 calc R U P A 2
H28E H 0.596684 0.679815 0.502689 0.055 Uiso 0.576(8) 1 calc R U P A 2
H28F H 0.624556 0.670113 0.565326 0.055 Uiso 0.576(8) 1 calc R U P A 2
C29B C 0.7087(3) 0.6612(5) 0.5172(5) 0.043(2) Uani 0.576(8) 1 d D . P A 2
H29D H 0.721571 0.679417 0.554510 0.064 Uiso 0.576(8) 1 calc R U P A 2
H29E H 0.696395 0.707181 0.493860 0.064 Uiso 0.576(8) 1 calc R U P A 2
H29F H 0.738172 0.634356 0.504507 0.064 Uiso 0.576(8) 1 calc R U P A 2
C107 C 0.4650(7) 0.8062(7) 0.3167(7) 0.101(5) Uani 0.5 1 d D . P B -1
H10D H 0.441284 0.759695 0.307886 0.151 Uiso 0.5 1 calc R U P B -1
H10E H 0.443788 0.852121 0.324403 0.151 Uiso 0.5 1 calc R U P B -1
H10F H 0.493208 0.794285 0.348621 0.151 Uiso 0.5 1 calc R U P B -1
C106 C 0.4911(4) 0.8257(4) 0.2685(4) 0.087(4) Uani 0.5 1 d G . P B -1
C101 C 0.5064(5) 0.7627(3) 0.2392(5) 0.088(3) Uani 0.5 1 d DG . P B -1
H101 H 0.500108 0.709208 0.248814 0.105 Uiso 0.5 1 calc R U P B -1
C102 C 0.5308(5) 0.7780(5) 0.1958(4) 0.100(5) Uani 0.5 1 d G . P B -1
H102 H 0.541281 0.734918 0.175778 0.119 Uiso 0.5 1 calc R U P B -1
C103 C 0.5400(3) 0.8563(6) 0.1818(3) 0.090(4) Uani 0.5 1 d G . P B -1
H103 H 0.556680 0.866731 0.152124 0.108 Uiso 0.5 1 calc R U P B -1
C104 C 0.5247(5) 0.9193(4) 0.2111(5) 0.119(5) Uani 0.5 1 d G . P B -1
H104 H 0.530907 0.972835 0.201507 0.143 Uiso 0.5 1 calc R U P B -1
C105 C 0.5002(5) 0.9041(3) 0.2545(5) 0.116(4) Uani 0.5 1 d DG . P B -1
H105 H 0.489734 0.947127 0.274545 0.139 Uiso 0.5 1 calc R U P B -1


_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 Dy2 3.87543(19) 7_656 ?
Dy1 O3 2.392(2) . ?
Dy1 O5 2.234(2) . ?
Dy1 O2 2.3561(19) . ?
Dy1 O4 2.469(2) . ?
Dy1 O11 2.3697(18) . ?
Dy1 O11 2.4354(18) 7_656 ?
Dy1 O1 2.557(2) . ?
Dy1 O7 2.270(2) . ?
Dy2 O10 2.403(2) . ?
Dy2 O4 2.4218(18) . ?
Dy2 O12 2.516(2) 7_656 ?
Dy2 O9 2.322(2) . ?
Dy2 O11 2.4396(18) 7_656 ?
Dy2 O1 2.3620(19) 7_656 ?
Dy2 O6 2.348(2) 7_656 ?
Dy2 O8 2.312(2) . ?
O3 C2 1.258(4) . ?
O5 C3 1.280(4) . ?
O10 C5 1.267(4) . ?
O2 C1 1.264(4) . ?
O4 C2 1.302(3) . ?
O12 C38 1.440(4) . ?
O12 C37 1.436(4) . ?
O9 C5 1.294(4) . ?
O11 C36 1.450(3) . ?
O1 C1 1.288(3) . ?
O7 C4 1.272(4) . ?
O6 C3 1.256(4) . ?
O8 C4 1.254(4) . ?
N2 C12 1.485(4) . ?
N2 C2 1.355(4) . ?
N2 C15 1.475(4) . ?
N1 C1 1.360(4) . ?
N1 C9 1.490(4) . ?
N1 C6 1.465(4) . ?
N3 C3 1.371(4) . ?
N3 C21 1.483(5) . ?
N3 C18 1.465(4) . ?
N5 C30 1.474(4) . ?
N5 C5 1.360(4) . ?
N5 C33 1.478(4) . ?
C12 H12 1.0000 . ?
C12 C13 1.521(5) . ?
C12 C14 1.530(5) . ?
C15 H15 1.0000 . ?
C15 C17 1.523(5) . ?
C15 C16 1.526(5) . ?
C30 H30 1.0000 . ?
C30 C32 1.525(5) . ?
C30 C31 1.517(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C9 H9 1.0000 . ?
C9 C11 1.516(5) . ?
C9 C10 1.532(5) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C36 1.496(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C4 N4A 1.353(9) . ?
C4 N4B 1.367(6) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C33 H33 1.0000 . ?
C33 C34 1.518(5) . ?
C33 C35 1.531(5) . ?
C21 H21 1.0000 . ?
C21 C23 1.504(6) . ?
C21 C22 1.488(6) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.506(6) . ?
C18 C20 1.492(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C6 H6 1.0000 . ?
C6 C7 1.537(6) . ?
C6 C8 1.502(7) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
N4A C27A 1.480(9) . ?
N4A C24A 1.482(10) . ?
C29A H29A 0.9800 . ?
C29A H29B 0.9800 . ?
C29A H29C 0.9800 . ?
C29A C27A 1.543(10) . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C26A C24A 1.529(11) . ?
C27A H27A 1.0000 . ?
C27A C28A 1.511(10) . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C25A C24A 1.533(11) . ?
C24A H24A 1.0000 . ?
C28A H28A 0.9800 . ?
C28A H28B 0.9800 . ?
C28A H28C 0.9800 . ?
N4B C24B 1.469(7) . ?
N4B C27B 1.486(7) . ?
C24B H24B 1.0000 . ?
C24B C25B 1.533(9) . ?
C24B C26B 1.520(9) . ?
C27B H27B 1.0000 . ?
C27B C28B 1.525(8) . ?
C27B C29B 1.524(8) . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
C28B H28D 0.9800 . ?
C28B H28E 0.9800 . ?
C28B H28F 0.9800 . ?
C29B H29D 0.9800 . ?
C29B H29E 0.9800 . ?
C29B H29F 0.9800 . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C107 C106 1.536(16) . ?
C106 C101 1.3900 . ?
C106 C105 1.3900 . ?
C101 H101 0.9500 . ?
C101 C102 1.3900 . ?
C102 H102 0.9500 . ?
C102 C103 1.3900 . ?
C103 H103 0.9500 . ?
C103 C104 1.3900 . ?
C104 H104 0.9500 . ?
C104 C105 1.3900 . ?
C105 H105 0.9500 . ?

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
O3 Dy1 Dy2 150.84(5) . 7_656 ?
O3 Dy1 O4 53.98(7) . . ?
O3 Dy1 O11 118.95(7) . 7_656 ?
O3 Dy1 O1 126.51(6) . . ?
O5 Dy1 Dy2 68.46(5) . 7_656 ?
O5 Dy1 O3 87.28(7) . . ?
O5 Dy1 O2 89.45(8) . . ?
O5 Dy1 O4 140.52(7) . . ?
O5 Dy1 O11 153.67(7) . 7_656 ?
O5 Dy1 O11 82.58(7) . . ?
O5 Dy1 O1 80.35(7) . . ?
O5 Dy1 O7 89.90(9) . . ?
O2 Dy1 Dy2 88.26(5) . 7_656 ?
O2 Dy1 O3 75.10(7) . . ?
O2 Dy1 O4 87.58(7) . . ?
O2 Dy1 O11 94.97(7) . 7_656 ?
O2 Dy1 O11 123.33(7) . . ?
O2 Dy1 O1 53.15(6) . . ?
O4 Dy1 Dy2 150.62(5) . 7_656 ?
O4 Dy1 O1 126.61(7) . . ?
O11 Dy1 Dy2 85.70(4) 7_656 7_656 ?
O11 Dy1 Dy2 36.93(4) . 7_656 ?
O11 Dy1 O3 158.64(7) . . ?
O11 Dy1 O4 130.52(6) . . ?
O11 Dy1 O4 65.72(6) 7_656 . ?
O11 Dy1 O11 73.30(7) . 7_656 ?
O11 Dy1 O1 70.22(6) . . ?
O11 Dy1 O1 81.65(6) 7_656 . ?
O1 Dy1 Dy2 36.27(4) . 7_656 ?
O7 Dy1 Dy2 114.21(6) . 7_656 ?
O7 Dy1 O3 80.35(7) . . ?
O7 Dy1 O2 155.45(8) . . ?
O7 Dy1 O4 77.48(7) . . ?
O7 Dy1 O11 80.88(7) . . ?
O7 Dy1 O11 96.43(8) . 7_656 ?
O7 Dy1 O1 150.39(7) . . ?
O10 Dy2 O4 131.86(7) . . ?
O10 Dy2 O12 115.23(7) . 7_656 ?
O10 Dy2 O11 161.34(7) . 7_656 ?
O4 Dy2 O12 74.60(7) . 7_656 ?
O4 Dy2 O11 66.38(6) . 7_656 ?
O9 Dy2 O10 55.79(7) . . ?
O9 Dy2 O4 86.77(7) . . ?
O9 Dy2 O12 73.78(7) . 7_656 ?
O9 Dy2 O11 139.20(7) . 7_656 ?
O9 Dy2 O1 148.12(7) . 7_656 ?
O9 Dy2 O6 98.25(8) . 7_656 ?
O11 Dy2 O12 69.88(6) 7_656 7_656 ?
O1 Dy2 O10 92.48(7) 7_656 . ?
O1 Dy2 O4 117.44(7) 7_656 . ?
O1 Dy2 O12 130.17(7) 7_656 7_656 ?
O1 Dy2 O11 72.43(6) 7_656 7_656 ?
O6 Dy2 O10 77.92(7) 7_656 . ?
O6 Dy2 O4 142.77(7) 7_656 . ?
O6 Dy2 O12 71.59(7) 7_656 7_656 ?
O6 Dy2 O11 87.47(7) 7_656 7_656 ?
O6 Dy2 O1 75.39(7) 7_656 7_656 ?
O8 Dy2 O10 74.15(8) . . ?
O8 Dy2 O4 73.76(7) . . ?
O8 Dy2 O12 142.86(7) . 7_656 ?
O8 Dy2 O9 85.47(8) . . ?
O8 Dy2 O11 113.36(7) . 7_656 ?
O8 Dy2 O1 82.32(8) . 7_656 ?
O8 Dy2 O6 143.20(7) . 7_656 ?
C2 O3 Dy1 94.82(17) . . ?
C3 O5 Dy1 132.98(19) . . ?
C5 O10 Dy2 90.57(17) . . ?
C1 O2 Dy1 98.51(17) . . ?
Dy2 O4 Dy1 98.77(7) . . ?
C2 O4 Dy1 90.15(17) . . ?
C2 O4 Dy2 155.75(18) . . ?
C38 O12 Dy2 120.62(19) . 7_656 ?
C37 O12 Dy2 110.05(16) . 7_656 ?
C37 O12 C38 111.7(2) . . ?
C5 O9 Dy2 93.60(18) . . ?
Dy1 O11 Dy1 106.70(7) . 7_656 ?
Dy1 O11 Dy2 107.37(7) . 7_656 ?
Dy1 O11 Dy2 99.21(7) 7_656 7_656 ?
C36 O11 Dy1 106.86(14) . 7_656 ?
C36 O11 Dy1 121.97(16) . . ?
C36 O11 Dy2 112.19(15) . 7_656 ?
Dy2 O1 Dy1 103.90(7) 7_656 . ?
C1 O1 Dy1 88.57(17) . . ?
C1 O1 Dy2 161.30(19) . 7_656 ?
C4 O7 Dy1 134.6(2) . . ?
C3 O6 Dy2 133.8(2) . 7_656 ?
C4 O8 Dy2 124.3(2) . . ?
C2 N2 C12 120.0(3) . . ?
C2 N2 C15 120.3(2) . . ?
C15 N2 C12 118.3(3) . . ?
C1 N1 C9 120.1(3) . . ?
C1 N1 C6 122.1(3) . . ?
C6 N1 C9 117.6(3) . . ?
C3 N3 C21 118.3(3) . . ?
C3 N3 C18 121.3(3) . . ?
C18 N3 C21 119.2(3) . . ?
C30 N5 C33 119.3(3) . . ?
C5 N5 C30 120.7(3) . . ?
C5 N5 C33 120.0(3) . . ?
O2 C1 O1 119.5(3) . . ?
O2 C1 N1 119.4(3) . . ?
O1 C1 N1 121.0(3) . . ?
N2 C12 H12 106.2 . . ?
N2 C12 C13 113.0(3) . . ?
N2 C12 C14 112.0(3) . . ?
C13 C12 H12 106.2 . . ?
C13 C12 C14 112.7(3) . . ?
C14 C12 H12 106.2 . . ?
O3 C2 O4 119.1(3) . . ?
O3 C2 N2 121.5(3) . . ?
O4 C2 N2 119.4(3) . . ?
N2 C15 H15 106.9 . . ?
N2 C15 C17 111.3(3) . . ?
N2 C15 C16 111.5(3) . . ?
C17 C15 H15 106.9 . . ?
C17 C15 C16 112.8(3) . . ?
C16 C15 H15 106.9 . . ?
N5 C30 H30 106.5 . . ?
N5 C30 C32 111.7(3) . . ?
N5 C30 C31 112.2(3) . . ?
C32 C30 H30 106.5 . . ?
C31 C30 H30 106.5 . . ?
C31 C30 C32 113.1(3) . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O10 C5 O9 119.4(3) . . ?
O10 C5 N5 121.3(3) . . ?
O9 C5 N5 119.3(3) . . ?
N1 C9 H9 106.0 . . ?
N1 C9 C11 113.2(3) . . ?
N1 C9 C10 111.8(3) . . ?
C11 C9 H9 106.0 . . ?
C11 C9 C10 112.9(3) . . ?
C10 C9 H9 106.0 . . ?
O12 C38 H38A 109.5 . . ?
O12 C38 H38B 109.5 . . ?
O12 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O12 C37 H37A 110.1 . . ?
O12 C37 H37B 110.1 . . ?
O12 C37 C36 108.1(2) . . ?
H37A C37 H37B 108.4 . . ?
C36 C37 H37A 110.1 . . ?
C36 C37 H37B 110.1 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O11 C36 C37 112.5(2) . . ?
O11 C36 H36A 109.1 . . ?
O11 C36 H36B 109.1 . . ?
C37 C36 H36A 109.1 . . ?
C37 C36 H36B 109.1 . . ?
H36A C36 H36B 107.8 . . ?
O7 C4 N4A 110.5(5) . . ?
O7 C4 N4B 124.2(4) . . ?
O8 C4 O7 122.3(3) . . ?
O8 C4 N4A 127.1(5) . . ?
O8 C4 N4B 113.3(4) . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N5 C33 H33 107.1 . . ?
N5 C33 C34 111.2(3) . . ?
N5 C33 C35 111.5(3) . . ?
C34 C33 H33 107.1 . . ?
C34 C33 C35 112.4(3) . . ?
C35 C33 H33 107.1 . . ?
O5 C3 N3 116.6(3) . . ?
O6 C3 O5 123.5(3) . . ?
O6 C3 N3 119.9(3) . . ?
N3 C21 H21 106.2 . . ?
N3 C21 C23 112.5(4) . . ?
N3 C21 C22 111.8(4) . . ?
C23 C21 H21 106.2 . . ?
C22 C21 H21 106.2 . . ?
C22 C21 C23 113.4(3) . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N3 C18 H18 105.2 . . ?
N3 C18 C19 112.7(3) . . ?
N3 C18 C20 113.7(3) . . ?
C19 C18 H18 105.2 . . ?
C20 C18 H18 105.2 . . ?
C20 C18 C19 113.7(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C6 H6 107.2 . . ?
N1 C6 C7 111.9(3) . . ?
N1 C6 C8 110.9(4) . . ?
C7 C6 H6 107.2 . . ?
C8 C6 H6 107.2 . . ?
C8 C6 C7 112.1(4) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C4 N4A C27A 121.7(7) . . ?
C4 N4A C24A 119.6(7) . . ?
C27A N4A C24A 118.7(8) . . ?
H29A C29A H29B 109.5 . . ?
H29A C29A H29C 109.5 . . ?
H29B C29A H29C 109.5 . . ?
C27A C29A H29A 109.5 . . ?
C27A C29A H29B 109.5 . . ?
C27A C29A H29C 109.5 . . ?
H26A C26A H26B 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
C24A C26A H26A 109.5 . . ?
C24A C26A H26B 109.5 . . ?
C24A C26A H26C 109.5 . . ?
N4A C27A C29A 111.2(8) . . ?
N4A C27A H27A 106.6 . . ?
N4A C27A C28A 113.7(8) . . ?
C29A C27A H27A 106.6 . . ?
C28A C27A C29A 111.5(9) . . ?
C28A C27A H27A 106.6 . . ?
H25A C25A H25B 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C24A C25A H25A 109.5 . . ?
C24A C25A H25B 109.5 . . ?
C24A C25A H25C 109.5 . . ?
N4A C24A C26A 112.1(10) . . ?
N4A C24A C25A 108.2(10) . . ?
N4A C24A H24A 107.1 . . ?
C26A C24A C25A 114.8(12) . . ?
C26A C24A H24A 107.1 . . ?
C25A C24A H24A 107.1 . . ?
C27A C28A H28A 109.5 . . ?
C27A C28A H28B 109.5 . . ?
C27A C28A H28C 109.5 . . ?
H28A C28A H28B 109.5 . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
C4 N4B C24B 124.0(5) . . ?
C4 N4B C27B 118.1(5) . . ?
C24B N4B C27B 117.5(5) . . ?
N4B C24B H24B 106.3 . . ?
N4B C24B C25B 113.4(7) . . ?
N4B C24B C26B 114.5(6) . . ?
C25B C24B H24B 106.3 . . ?
C26B C24B H24B 106.3 . . ?
C26B C24B C25B 109.6(8) . . ?
N4B C27B H27B 106.5 . . ?
N4B C27B C28B 113.8(6) . . ?
N4B C27B C29B 110.5(6) . . ?
C28B C27B H27B 106.5 . . ?
C29B C27B H27B 106.5 . . ?
C29B C27B C28B 112.6(6) . . ?
C24B C25B H25D 109.5 . . ?
C24B C25B H25E 109.5 . . ?
C24B C25B H25F 109.5 . . ?
H25D C25B H25E 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C24B C26B H26D 109.5 . . ?
C24B C26B H26E 109.5 . . ?
C24B C26B H26F 109.5 . . ?
H26D C26B H26E 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
C27B C28B H28D 109.5 . . ?
C27B C28B H28E 109.5 . . ?
C27B C28B H28F 109.5 . . ?
H28D C28B H28E 109.5 . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 109.5 . . ?
C27B C29B H29D 109.5 . . ?
C27B C29B H29E 109.5 . . ?
C27B C29B H29F 109.5 . . ?
H29D C29B H29E 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
H10D C107 H10E 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C106 C107 H10D 109.5 . . ?
C106 C107 H10E 109.5 . . ?
C106 C107 H10F 109.5 . . ?
C101 C106 C107 118.3(6) . . ?
C101 C106 C105 120.0 . . ?
C105 C106 C107 121.7(6) . . ?
C106 C101 H101 120.0 . . ?
C102 C101 C106 120.0 . . ?
C102 C101 H101 120.0 . . ?
C101 C102 H102 120.0 . . ?
C103 C102 C101 120.0 . . ?
C103 C102 H102 120.0 . . ?
C102 C103 H103 120.0 . . ?
C104 C103 C102 120.0 . . ?
C104 C103 H103 120.0 . . ?
C103 C104 H104 120.0 . . ?
C105 C104 C103 120.0 . . ?
C105 C104 H104 120.0 . . ?
C106 C105 H105 120.0 . . ?
C104 C105 C106 120.0 . . ?
C104 C105 H105 120.0 . . ?

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 O3 C2 O4 14.2(3) . . . . ?
Dy1 O3 C2 N2 -163.6(2) . . . . ?
Dy1 O5 C3 O6 -51.7(4) . . . . ?
Dy1 O5 C3 N3 129.5(3) . . . . ?
Dy1 O2 C1 O1 -5.1(3) . . . . ?
Dy1 O2 C1 N1 173.5(2) . . . . ?
Dy1 O4 C2 O3 -13.7(3) . . . . ?
Dy1 O4 C2 N2 164.2(2) . . . . ?
Dy1 O11 C36 C37 -89.7(3) . . . . ?
Dy1 O11 C36 C37 147.4(2) 7_656 . . . ?
Dy1 O1 C1 O2 4.7(3) . . . . ?
Dy1 O1 C1 N1 -174.0(3) . . . . ?
Dy1 O7 C4 O8 61.3(4) . . . . ?
Dy1 O7 C4 N4A -114.9(6) . . . . ?
Dy1 O7 C4 N4B -123.3(5) . . . . ?
Dy2 O10 C5 O9 7.7(3) . . . . ?
Dy2 O10 C5 N5 -172.0(3) . . . . ?
Dy2 O4 C2 O3 98.5(5) . . . . ?
Dy2 O4 C2 N2 -83.7(5) . . . . ?
Dy2 O12 C37 C36 47.8(2) 7_656 . . . ?
Dy2 O9 C5 O10 -8.0(3) . . . . ?
Dy2 O9 C5 N5 171.7(3) . . . . ?
Dy2 O11 C36 C37 39.7(3) 7_656 . . . ?
Dy2 O1 C1 O2 -127.8(5) 7_656 . . . ?
Dy2 O1 C1 N1 53.5(8) 7_656 . . . ?
Dy2 O6 C3 O5 27.0(5) 7_656 . . . ?
Dy2 O6 C3 N3 -154.3(2) 7_656 . . . ?
Dy2 O8 C4 O7 -11.7(4) . . . . ?
Dy2 O8 C4 N4A 163.9(7) . . . . ?
Dy2 O8 C4 N4B 172.5(4) . . . . ?
O12 C37 C36 O11 -59.9(3) . . . . ?
O7 C4 N4A C27A 171.3(8) . . . . ?
O7 C4 N4A C24A -5.9(11) . . . . ?
O7 C4 N4B C24B 6.4(10) . . . . ?
O7 C4 N4B C27B 179.4(5) . . . . ?
O8 C4 N4A C27A -4.7(14) . . . . ?
O8 C4 N4A C24A 178.2(6) . . . . ?
O8 C4 N4B C24B -177.9(6) . . . . ?
O8 C4 N4B C27B -4.9(8) . . . . ?
C1 N1 C9 C11 -59.0(4) . . . . ?
C1 N1 C9 C10 69.9(4) . . . . ?
C1 N1 C6 C7 -126.5(4) . . . . ?
C1 N1 C6 C8 107.6(4) . . . . ?
C12 N2 C2 O3 11.8(4) . . . . ?
C12 N2 C2 O4 -166.0(3) . . . . ?
C12 N2 C15 C17 -60.6(4) . . . . ?
C12 N2 C15 C16 66.4(4) . . . . ?
C2 N2 C12 C13 -71.5(4) . . . . ?
C2 N2 C12 C14 57.1(4) . . . . ?
C2 N2 C15 C17 133.0(3) . . . . ?
C2 N2 C15 C16 -100.1(3) . . . . ?
C15 N2 C12 C13 122.0(3) . . . . ?
C15 N2 C12 C14 -109.4(4) . . . . ?
C15 N2 C2 O3 178.0(3) . . . . ?
C15 N2 C2 O4 0.2(4) . . . . ?
C30 N5 C5 O10 2.5(5) . . . . ?
C30 N5 C5 O9 -177.3(3) . . . . ?
C30 N5 C33 C34 -66.3(4) . . . . ?
C30 N5 C33 C35 60.1(4) . . . . ?
C5 N5 C30 C32 65.5(4) . . . . ?
C5 N5 C30 C31 -62.6(4) . . . . ?
C5 N5 C33 C34 115.6(4) . . . . ?
C5 N5 C33 C35 -118.1(4) . . . . ?
C9 N1 C1 O2 -5.6(5) . . . . ?
C9 N1 C1 O1 173.1(3) . . . . ?
C9 N1 C6 C7 59.5(5) . . . . ?
C9 N1 C6 C8 -66.4(4) . . . . ?
C38 O12 C37 C36 -175.4(2) . . . . ?
C4 N4A C27A C29A -58.1(15) . . . . ?
C4 N4A C27A C28A 68.8(13) . . . . ?
C4 N4A C24A C26A 116.7(13) . . . . ?
C4 N4A C24A C25A -115.7(12) . . . . ?
C4 N4B C24B C25B -68.8(9) . . . . ?
C4 N4B C24B C26B 57.9(11) . . . . ?
C4 N4B C27B C28B 139.6(7) . . . . ?
C4 N4B C27B C29B -92.6(9) . . . . ?
C33 N5 C30 C32 -112.7(4) . . . . ?
C33 N5 C30 C31 119.2(4) . . . . ?
C33 N5 C5 O10 -179.4(3) . . . . ?
C33 N5 C5 O9 0.9(5) . . . . ?
C3 N3 C21 C23 133.5(4) . . . . ?
C3 N3 C21 C22 -97.6(4) . . . . ?
C3 N3 C18 C19 58.5(5) . . . . ?
C3 N3 C18 C20 -72.7(5) . . . . ?
C21 N3 C3 O5 -3.2(4) . . . . ?
C21 N3 C3 O6 177.9(3) . . . . ?
C21 N3 C18 C19 -109.2(4) . . . . ?
C21 N3 C18 C20 119.6(4) . . . . ?
C18 N3 C3 O5 -171.0(3) . . . . ?
C18 N3 C3 O6 10.2(5) . . . . ?
C18 N3 C21 C23 -58.5(5) . . . . ?
C18 N3 C21 C22 70.5(5) . . . . ?
C6 N1 C1 O2 -179.4(3) . . . . ?
C6 N1 C1 O1 -0.8(5) . . . . ?
C6 N1 C9 C11 115.1(4) . . . . ?
C6 N1 C9 C10 -115.9(4) . . . . ?
C27A N4A C24A C26A -60.5(16) . . . . ?
C27A N4A C24A C25A 67.1(13) . . . . ?
C24A N4A C27A C29A 119.1(12) . . . . ?
C24A N4A C27A C28A -114.1(11) . . . . ?
C24B N4B C27B C28B -46.9(9) . . . . ?
C24B N4B C27B C29B 80.9(9) . . . . ?
C27B N4B C24B C25B 118.2(8) . . . . ?
C27B N4B C24B C26B -115.1(9) . . . . ?
C107 C106 C101 C102 -179.1(9) . . . . ?
C107 C106 C105 C104 179.0(9) . . . . ?
C106 C101 C102 C103 0.0 . . . . ?
C101 C106 C105 C104 0.0 . . . . ?
C101 C102 C103 C104 0.0 . . . . ?
C102 C103 C104 C105 0.0 . . . . ?
C103 C104 C105 C106 0.0 . . . . ?
C105 C106 C101 C102 0.0 . . . . ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.118
_oxdiff_exptl_absorpt_empirical_full_min 0.917
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_chemical_properties_physical    Moisture-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_sor-10_1
_database_code_depnum_ccdc_archive 'CCDC 2049539'
loop_
_audit_author_name
_audit_author_address
'Soeren Schlittenhardt'
;Karlsruhe Institute of Technology
Germany
;
_audit_update_record             
;
2021-02-10 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_audit_creation_date             2021-02-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C100 H166 Dy6 N12 O34, 3(C7 H8), 1[C7 H8]'
_chemical_formula_sum            'C128 H198 Dy6 N12 O34'
_chemical_formula_weight         3423.97
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Dy6 N12 O34 C100 H166'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.6199(2)
_cell_length_b                   28.7305(3)
_cell_length_c                   20.34422(16)
_cell_angle_alpha                90
_cell_angle_beta                 92.4511(7)
_cell_angle_gamma                90
_cell_volume                     16129.1(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    40906
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      27.1580
_cell_measurement_theta_min      2.0690
_shelx_estimated_absorpt_T_max   0.784
_shelx_estimated_absorpt_T_min   0.540
_exptl_absorpt_coefficient_mu    2.811
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6872
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.205
_exptl_crystal_size_min          0.091
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            78689
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         1.736
_diffrn_ambient_temperature      180.0
_diffrn_detector                 'imaging plate (34 cm diameter)'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_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    -90.00  90.00   1.00  240.60    --    0.00 180.00 250.00  180
  2  ω    -70.00 -10.00   1.00  240.60    --    0.00 180.00  34.00   60
;
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS2T'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0017426000
_diffrn_orient_matrix_UB_12      0.0246144000
_diffrn_orient_matrix_UB_13      -0.0011016000
_diffrn_orient_matrix_UB_21      0.0222765000
_diffrn_orient_matrix_UB_22      0.0011071000
_diffrn_orient_matrix_UB_23      -0.0160460000
_diffrn_orient_matrix_UB_31      -0.0127082000
_diffrn_orient_matrix_UB_32      -0.0014452000
_diffrn_orient_matrix_UB_33      -0.0309773000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14215
_reflns_number_total             16463
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.04
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.893
_refine_diff_density_min         -0.972
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     886
_refine_ls_number_reflns         16463
_refine_ls_number_restraints     404
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0292
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0326P)²+43.9878P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0678
_refine_ls_wR_factor_ref         0.0711
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C105-C107 \\sim C107-C101
 with sigma of 0.02
 C119-C121 \\sim C121-C115
 with sigma of 0.02
 C112-C111 \\sim C119-C118
 with sigma of 0.02
 C112-C114 \\sim C114-C108
 with sigma of 0.02
 C114-C113 \\sim C121-C120
 with sigma of 0.02
 C112-C113 \\sim C119-C120
 with sigma of 0.02
 C114-C112 \\sim C121-C119
 with sigma of 0.04
 C114-C108 \\sim C121-C115
 with sigma of 0.04
 C31A-N4A \\sim C28A-C31B \\sim N4B-C28B
 with sigma of 0.02
 C111-C110 \\sim C118-C117
 with sigma of 0.02
 C110-C109 \\sim C117-C116
 with sigma of 0.02
 N4A-C27 \\sim C27-N4B
 with sigma of 0.02
 C109-C108 \\sim C116-C115
 with sigma of 0.02
 C29B-C28B \\sim C30B-C29A \\sim C28A-C30A \\sim C32B-C31B \\sim C33B-C32A
\\sim C31A-C33A
 with sigma of 0.02
 C108-C113 \\sim C115-C120
 with sigma of 0.02
 C112-C110 \\sim C119-C117
 with sigma of 0.04
 C112-C108 \\sim C119-C115
 with sigma of 0.04
 C111-C109 \\sim C118-C116
 with sigma of 0.04
 C111-C113 \\sim C118-C120
 with sigma of 0.04
 C110-C108 \\sim C117-C115
 with sigma of 0.04
 C109-C113 \\sim C116-C120
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C121) \\sim Ueq, Uanis(C115) \\sim Ueq, Uanis(C120) \\sim Ueq,
Uanis(C116) \\sim Ueq, Uanis(C119) \\sim Ueq, Uanis(C117) \\sim Ueq,
Uanis(C118) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C113) \\sim Ueq, Uanis(C114) \\sim Ueq, Uanis(C112) \\sim Ueq,
Uanis(C108) \\sim Ueq, Uanis(C111) \\sim Ueq, Uanis(C109) \\sim Ueq,
Uanis(C110) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C32A) = Uanis(C32B)
Uanis(N4B) = Uanis(N4A)
Uanis(C28B) = Uanis(C28A) = Uanis(C31B) = Uanis(C31A)
Uanis(C28A) = Uanis(C28B)
Uanis(C15) = Uanis(C18)
4. Rigid body (RIGU) restrains
 N4A, C28A, C30A, C29A, C31A, C32A, C33A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C115, C120, C119, C118, C117, C116, C121
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C114, C112, C111, C110, C109, C108, C113
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C35, C36, C37, C38, C39, C40, O15, O14, C41A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N4B, C28B, C30B, C29B, C31B, C33B, C32B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C16, C15, C17, N2, C20, C18, C19, C3, O7, O6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Sof(C115)=Sof(H115)=Sof(C120)=Sof(C119)=Sof(H119)=Sof(C118)=Sof(H118)=
 Sof(C117)=Sof(H117)=Sof(C116)=Sof(H116)=Sof(C121)=Sof(H12A)=Sof(H12B)=
 Sof(H12C)=0.5*(1-FVAR(2))
 Sof(C114)=Sof(H11D)=Sof(H11E)=Sof(H11F)=Sof(C112)=Sof(H112)=Sof(C111)=
 Sof(H111)=Sof(C110)=Sof(H110)=Sof(C109)=Sof(H109)=Sof(C108)=Sof(H108)=
 Sof(C113)=0.5*FVAR(2)
 Sof(N4B)=Sof(C28B)=Sof(H28B)=Sof(C29B)=Sof(H29D)=Sof(H29E)=Sof(H29F)=
 Sof(C30B)=Sof(H30D)=Sof(H30E)=Sof(H30F)=1-FVAR(2)
 Sof(N4A)=Sof(C28A)=Sof(H28A)=Sof(C29A)=Sof(H29A)=Sof(H29B)=Sof(H29C)=
 Sof(C30A)=Sof(H30A)=Sof(H30B)=Sof(H30C)=FVAR(2)
 Sof(C31B)=Sof(H31B)=Sof(C33B)=Sof(H33D)=Sof(H33E)=Sof(H33F)=Sof(C32B)=
 Sof(H32D)=Sof(H32E)=Sof(H32F)=1-FVAR(3)
 Sof(C31A)=Sof(H31A)=Sof(C32A)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33A)=
 Sof(H33A)=Sof(H33B)=Sof(H33C)=FVAR(3)
6.a Ternary CH refined with riding coordinates:
 C12(H12), C9(H9), C21(H21), C24(H24), C18(H18), C15(H15), C28A(H28A),
 C31A(H31A), C28B(H28B), C31B(H31B)
6.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C7(H7A,H7B)
6.c Me refined with riding coordinates:
 C32A(H32A,H32B,H32C), C29A(H29A,H29B,H29C), C33A(H33A,H33B,H33C), C30A(H30A,
 H30B,H30C), C29B(H29D,H29E,H29F), C30B(H30D,H30E,H30F), C33B(H33D,H33E,H33F),
 C32B(H32D,H32E,H32F)
6.d Aromatic/amide H refined with riding coordinates:
 C48(H48), C47(H47), C46(H46), C39(H39), C38(H38), C37(H37), C50(H50),
 C41A(H41A), C105(H105), C104(H104), C103(H103), C102(H102), C101(H101),
 C112(H112), C111(H111), C110(H110), C109(H109), C108(H108), C115(H115),
 C119(H119), C118(H118), C117(H117), C116(H116)
6.e Fitted hexagon refined as free rotating group:
 C105(C104,C103,C102,C101,C106), C112(C111,C110,C109,C108,C113), C115(C120,
 C119,C118,C117,C116)
6.f Idealised Me refined with riding coordinates:
 C114(H11D,H11E,H11F), C121(H12A,H12B,H12C)
6.g Idealised Me refined as rotating group:
 C43(H43A,H43B,H43C), C42(H42A,H42B,H42C), C34(H34A,H34B,H34C), C51(H51A,H51B,
 H51C), C8(H8A,H8B,H8C), C13(H13A,H13B,H13C), C16(H16A,H16B,H16C), C11(H11A,
 H11B,H11C), C14(H14A,H14B,H14C), C23(H23A,H23B,H23C), C22(H22A,H22B,H22C),
 C10(H10A,H10B,H10C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C17(H17A,H17B,
 H17C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C107(H10D,H10E,H10F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Dy2 Dy 0.74925(2) 0.19538(2) 0.61476(2) 0.01844(4) Uani 1 1 d . . . . .
Dy1 Dy 0.78951(2) 0.30941(2) 0.68462(2) 0.02422(5) Uani 1 1 d . . . . .
Dy3 Dy 0.65421(2) 0.13343(2) 0.50255(2) 0.02524(5) Uani 1 1 d . . . . .
O12 O 0.72612(8) 0.26585(8) 0.64958(11) 0.0262(5) Uani 1 1 d . . . . .
O2 O 0.81229(8) 0.29212(8) 0.46827(10) 0.0202(5) Uani 1 1 d . . . . .
O3 O 0.79187(8) 0.23814(8) 0.54128(10) 0.0223(5) Uani 1 1 d . . . . .
O16 O 0.73279(9) 0.12521(8) 0.55407(11) 0.0269(5) Uani 1 1 d . . . . .
O14 O 0.80746(9) 0.22831(8) 0.68610(10) 0.0257(5) Uani 1 1 d . . . . .
O17 O 0.82345(9) 0.15007(9) 0.57018(12) 0.0342(6) Uani 1 1 d . . . . .
O8 O 0.68270(9) 0.17556(10) 0.66955(11) 0.0324(6) Uani 1 1 d . . . . .
O13 O 0.72180(11) 0.35842(10) 0.63304(14) 0.0445(7) Uani 1 1 d . . . . .
O9 O 0.62659(9) 0.13893(10) 0.60687(11) 0.0347(6) Uani 1 1 d . . . . .
O6 O 0.82121(11) 0.38249(9) 0.68734(12) 0.0410(7) Uani 1 1 d . . . . .
O1 O 0.81175(9) 0.31088(8) 0.57282(10) 0.0275(5) Uani 1 1 d . . . . .
O5 O 0.81601(9) 0.31032(9) 0.79819(11) 0.0313(6) Uani 1 1 d . . . . .
O4 O 0.73989(10) 0.32865(11) 0.77213(11) 0.0381(7) Uani 1 1 d . . . . .
O15 O 0.87875(10) 0.28814(11) 0.69412(13) 0.0423(7) Uani 1 1 d . . . . .
O7 O 0.83046(12) 0.41040(10) 0.58675(12) 0.0457(8) Uani 1 1 d . . . . .
N5 N 0.77779(13) 0.13470(11) 0.69923(14) 0.0340(7) Uani 1 1 d . . . . .
N1 N 0.76686(12) 0.33515(12) 0.87954(14) 0.0356(8) Uani 1 1 d . . . . .
C1 C 0.80447(11) 0.27909(12) 0.52816(14) 0.0212(7) Uani 1 1 d . . . . .
N6 N 0.66576(15) 0.04952(13) 0.54301(15) 0.0427(9) Uani 1 1 d . . . . .
N3 N 0.60784(11) 0.16557(13) 0.70728(14) 0.0390(8) Uani 1 1 d . . . . .
C44 C 0.76520(15) 0.09131(13) 0.55069(17) 0.0336(9) Uani 1 1 d . . . . .
C49 C 0.7534(2) 0.04432(15) 0.5425(2) 0.0482(11) Uani 1 1 d . . . . .
C48 C 0.7918(3) 0.01108(18) 0.5373(3) 0.0709(16) Uani 1 1 d . . . . .
H48 H 0.784297 -0.020995 0.531837 0.085 Uiso 1 1 calc R U . . .
C47 C 0.8380(3) 0.0249(2) 0.5400(3) 0.0826(19) Uani 1 1 d . . . . .
H47 H 0.862742 0.002363 0.534768 0.099 Uiso 1 1 calc R U . . .
C46 C 0.8510(2) 0.07092(19) 0.5500(3) 0.0653(15) Uani 1 1 d . . . . .
H46 H 0.884101 0.079853 0.552181 0.078 Uiso 1 1 calc R U . . .
C45 C 0.81538(16) 0.10332(15) 0.55689(18) 0.0393(9) Uani 1 1 d . . . . .
C4 C 0.64034(13) 0.15988(13) 0.65911(16) 0.0285(8) Uani 1 1 d . . . . .
C2 C 0.77446(14) 0.32449(13) 0.81523(16) 0.0302(8) Uani 1 1 d . . . . .
N2 N 0.84258(16) 0.45718(12) 0.67470(16) 0.0507(9) Uani 1 1 d . . . . .
C43 C 0.87202(14) 0.16757(18) 0.5655(2) 0.0452(11) Uani 1 1 d . . . . .
H43A H 0.871754 0.201583 0.569121 0.068 Uiso 1 1 calc R U . . .
H43B H 0.884613 0.158586 0.522999 0.068 Uiso 1 1 calc R U . . .
H43C H 0.892755 0.154463 0.601137 0.068 Uiso 1 1 calc R U . . .
C6 C 0.68025(14) 0.28681(15) 0.6413(2) 0.0391(9) Uani 1 1 d . . . . .
H6A H 0.667592 0.294603 0.684708 0.047 Uiso 1 1 calc R U . . .
H6B H 0.657312 0.264982 0.618702 0.047 Uiso 1 1 calc R U . . .
C3 C 0.83118(15) 0.41517(13) 0.64886(17) 0.0342(8) Uani 1 1 d . . . . .
C7 C 0.68473(17) 0.32992(17) 0.6013(2) 0.0488(11) Uani 1 1 d . . . . .
H7A H 0.693749 0.321969 0.556064 0.059 Uiso 1 1 calc R U . . .
H7B H 0.653492 0.346864 0.598677 0.059 Uiso 1 1 calc R U . . .
C35 C 0.84774(13) 0.20998(16) 0.71124(16) 0.0341(8) Uani 1 1 d . . . . .
C40 C 0.85369(18) 0.16574(19) 0.7316(2) 0.0515(11) Uani 1 1 d . . . . .
C39 C 0.90143(19) 0.1515(2) 0.7609(2) 0.0652(14) Uani 1 1 d . . . . .
H39 H 0.906829 0.120658 0.776421 0.078 Uiso 1 1 calc R U . . .
C38 C 0.9366(2) 0.1833(2) 0.7648(3) 0.0718(16) Uani 1 1 d . . . . .
H38 H 0.966832 0.174101 0.784595 0.086 Uiso 1 1 calc R U . . .
C37 C 0.93242(19) 0.2294(2) 0.7418(3) 0.0716(15) Uani 1 1 d . . . . .
H37 H 0.959175 0.250161 0.743984 0.086 Uiso 1 1 calc R U . . .
C36 C 0.88916(16) 0.2424(2) 0.71694(19) 0.0510(11) Uani 1 1 d . . . . .
C50 C 0.7051(2) 0.02626(16) 0.54448(19) 0.0520(13) Uani 1 1 d . . . . .
H50 H 0.702029 -0.006612 0.547154 0.062 Uiso 1 1 calc R U . . .
C12 C 0.80744(15) 0.33333(14) 0.92852(17) 0.0355(9) Uani 1 1 d . . . . .
H12 H 0.836520 0.322156 0.905483 0.043 Uiso 1 1 calc R U . . .
C9 C 0.71844(15) 0.34938(16) 0.90072(19) 0.0421(10) Uani 1 1 d . . . . .
H9 H 0.722120 0.355319 0.949112 0.051 Uiso 1 1 calc R U . . .
C42 C 0.7446(2) 0.09466(17) 0.7115(2) 0.0677(16) Uani 1 1 d . . . . .
H42A H 0.718509 0.104994 0.739282 0.102 Uiso 1 1 calc R U . . .
H42B H 0.762864 0.069575 0.733710 0.102 Uiso 1 1 calc R U . . .
H42C H 0.730554 0.083248 0.669428 0.102 Uiso 1 1 calc R U . . .
C41A C 0.81749(18) 0.13246(17) 0.7303(2) 0.0504(11) Uani 1 1 d . . . . .
H41A H 0.823561 0.105147 0.755652 0.061 Uiso 1 1 calc R U . . .
C21 C 0.62150(16) 0.19132(18) 0.7676(2) 0.0500(12) Uani 1 1 d . . . . .
H21 H 0.655350 0.202798 0.762868 0.060 Uiso 1 1 calc R U . . .
C34 C 0.91666(18) 0.3221(2) 0.6920(3) 0.0719(18) Uani 1 1 d . . . . .
H34A H 0.904650 0.349670 0.668118 0.108 Uiso 1 1 calc R U . . .
H34B H 0.944153 0.308895 0.669401 0.108 Uiso 1 1 calc R U . . .
H34C H 0.927113 0.330860 0.736905 0.108 Uiso 1 1 calc R U . . .
C51 C 0.6213(2) 0.02226(17) 0.5511(3) 0.0662(16) Uani 1 1 d . . . . .
H51A H 0.605872 0.032187 0.591290 0.099 Uiso 1 1 calc R U . . .
H51B H 0.629501 -0.010872 0.554414 0.099 Uiso 1 1 calc R U . . .
H51C H 0.598945 0.027301 0.513093 0.099 Uiso 1 1 calc R U . . .
C8 C 0.7109(2) 0.4048(2) 0.6370(4) 0.088(2) Uani 1 1 d . . . . .
H8A H 0.681765 0.408871 0.662192 0.132 Uiso 1 1 calc R U . . .
H8B H 0.705205 0.417466 0.592633 0.132 Uiso 1 1 calc R U . . .
H8C H 0.738091 0.421346 0.659103 0.132 Uiso 1 1 calc R U . . .
C13 C 0.81922(19) 0.38151(17) 0.9556(2) 0.0531(12) Uani 1 1 d . . . . .
H13A H 0.826353 0.402467 0.919219 0.080 Uiso 1 1 calc R U . . .
H13B H 0.847489 0.379660 0.986238 0.080 Uiso 1 1 calc R U . . .
H13C H 0.791401 0.393488 0.978666 0.080 Uiso 1 1 calc R U . . .
C16 C 0.7930(3) 0.4620(2) 0.7734(2) 0.0811(15) Uani 1 1 d . . . . .
H16A H 0.769290 0.479110 0.745534 0.122 Uiso 1 1 calc R U . . .
H16B H 0.793658 0.474849 0.818077 0.122 Uiso 1 1 calc R U . . .
H16C H 0.783767 0.429059 0.774769 0.122 Uiso 1 1 calc R U . . .
C24 C 0.55791(15) 0.1482(2) 0.6987(2) 0.0596(15) Uani 1 1 d . . . . .
H24 H 0.541857 0.155112 0.740722 0.072 Uiso 1 1 calc R U . . .
C11 C 0.68130(17) 0.31069(19) 0.8921(2) 0.0564(13) Uani 1 1 d . . . . .
H11A H 0.677001 0.302864 0.845327 0.085 Uiso 1 1 calc R U . . .
H11B H 0.650306 0.321060 0.908711 0.085 Uiso 1 1 calc R U . . .
H11C H 0.692599 0.283149 0.916695 0.085 Uiso 1 1 calc R U . . .
C14 C 0.79831(18) 0.29899(16) 0.98351(19) 0.0469(11) Uani 1 1 d . . . . .
H14A H 0.770730 0.309607 1.008283 0.070 Uiso 1 1 calc R U . . .
H14B H 0.827203 0.296976 1.013060 0.070 Uiso 1 1 calc R U . . .
H14C H 0.791128 0.268251 0.964619 0.070 Uiso 1 1 calc R U . . .
C23 C 0.5896(2) 0.2339(2) 0.7757(3) 0.0738(17) Uani 1 1 d . . . . .
H23A H 0.590895 0.253587 0.736430 0.111 Uiso 1 1 calc R U . . .
H23B H 0.601171 0.251639 0.814396 0.111 Uiso 1 1 calc R U . . .
H23C H 0.556062 0.224007 0.781422 0.111 Uiso 1 1 calc R U . . .
C22 C 0.62222(19) 0.1598(2) 0.8275(2) 0.0673(16) Uani 1 1 d . . . . .
H22A H 0.589761 0.146924 0.832802 0.101 Uiso 1 1 calc R U . . .
H22B H 0.632145 0.177738 0.866715 0.101 Uiso 1 1 calc R U . . .
H22C H 0.645228 0.134310 0.821522 0.101 Uiso 1 1 calc R U . . .
C18 C 0.8545(3) 0.49616(17) 0.6301(2) 0.0719(10) Uani 1 1 d . . . . .
H18 H 0.857579 0.482301 0.585399 0.086 Uiso 1 1 calc R U . . .
C10 C 0.7011(2) 0.39470(19) 0.8699(2) 0.0604(13) Uani 1 1 d . . . . .
H10A H 0.726496 0.418344 0.875755 0.091 Uiso 1 1 calc R U . . .
H10B H 0.671823 0.405163 0.891072 0.091 Uiso 1 1 calc R U . . .
H10C H 0.693775 0.389931 0.822787 0.091 Uiso 1 1 calc R U . . .
C25 C 0.52958(18) 0.1748(3) 0.6452(2) 0.086(2) Uani 1 1 d . . . . .
H25A H 0.529964 0.208094 0.655784 0.129 Uiso 1 1 calc R U . . .
H25B H 0.496021 0.163662 0.642363 0.129 Uiso 1 1 calc R U . . .
H25C H 0.544483 0.169892 0.602873 0.129 Uiso 1 1 calc R U . . .
C15 C 0.8426(2) 0.46647(18) 0.7456(2) 0.0719(10) Uani 1 1 d . . . . .
H15 H 0.852071 0.499872 0.751221 0.086 Uiso 1 1 calc R U . . .
C26 C 0.5554(2) 0.0954(2) 0.6900(3) 0.091(2) Uani 1 1 d . . . . .
H26A H 0.568114 0.086945 0.647371 0.136 Uiso 1 1 calc R U . . .
H26B H 0.521648 0.085152 0.691675 0.136 Uiso 1 1 calc R U . . .
H26C H 0.574849 0.080336 0.725333 0.136 Uiso 1 1 calc R U . . .
C17 C 0.8809(3) 0.4384(3) 0.7841(3) 0.103(2) Uani 1 1 d . . . . .
H17A H 0.870515 0.405850 0.786475 0.155 Uiso 1 1 calc R U . . .
H17B H 0.885121 0.451092 0.828714 0.155 Uiso 1 1 calc R U . . .
H17C H 0.911651 0.440204 0.762016 0.155 Uiso 1 1 calc R U . . .
C19 C 0.8125(4) 0.5307(2) 0.6245(4) 0.120(2) Uani 1 1 d . . . . .
H19A H 0.782726 0.514266 0.610642 0.181 Uiso 1 1 calc R U . . .
H19B H 0.819608 0.554662 0.592025 0.181 Uiso 1 1 calc R U . . .
H19C H 0.808262 0.545403 0.667393 0.181 Uiso 1 1 calc R U . . .
C20 C 0.9021(3) 0.5181(3) 0.6482(4) 0.141(3) Uani 1 1 d . . . . .
H20A H 0.901557 0.530294 0.693142 0.211 Uiso 1 1 calc R U . . .
H20B H 0.908110 0.543678 0.617683 0.211 Uiso 1 1 calc R U . . .
H20C H 0.927875 0.494858 0.645586 0.211 Uiso 1 1 calc R U . . .
C107 C 0.2576(2) 0.2975(2) 0.3411(3) 0.0666(15) Uani 1 1 d D . . . .
H10D H 0.231946 0.287799 0.370009 0.100 Uiso 1 1 calc R U . . .
H10E H 0.274317 0.269904 0.325075 0.100 Uiso 1 1 calc R U . . .
H10F H 0.243286 0.314864 0.303658 0.100 Uiso 1 1 calc R U . . .
C105 C 0.27972(18) 0.37272(14) 0.3925(2) 0.084(2) Uani 1 1 d DG . . . .
H105 H 0.248744 0.384423 0.378719 0.101 Uiso 1 1 calc R U . . .
C104 C 0.3125(3) 0.40118(14) 0.4272(2) 0.126(4) Uani 1 1 d G . . . .
H104 H 0.303888 0.432324 0.437229 0.151 Uiso 1 1 calc R U . . .
C103 C 0.3578(2) 0.3841(2) 0.4473(2) 0.141(5) Uani 1 1 d G . . . .
H103 H 0.380176 0.403508 0.471092 0.169 Uiso 1 1 calc R U . . .
C102 C 0.37035(14) 0.3385(3) 0.4327(2) 0.141(4) Uani 1 1 d G . . . .
H102 H 0.401320 0.326791 0.446444 0.169 Uiso 1 1 calc R U . . .
C101 C 0.33759(16) 0.31004(16) 0.3979(2) 0.085(2) Uani 1 1 d DG . . . .
H101 H 0.346176 0.278890 0.387934 0.102 Uiso 1 1 calc R U . . .
C106 C 0.29228(14) 0.32715(12) 0.37783(16) 0.0559(13) Uani 1 1 d G . . . .
C114 C 0.5699(13) 0.3767(10) 0.7610(15) 0.175(13) Uani 0.302(5) 1 d D U P A -1
H11D H 0.598716 0.360005 0.777979 0.263 Uiso 0.302(5) 1 calc R U P A -1
H11E H 0.553638 0.358361 0.725925 0.263 Uiso 0.302(5) 1 calc R U P A -1
H11F H 0.547666 0.381546 0.796642 0.263 Uiso 0.302(5) 1 calc R U P A -1
C112 C 0.6097(6) 0.4582(6) 0.7735(7) 0.121(8) Uani 0.302(5) 1 d DG U P A -1
H112 H 0.613954 0.451642 0.819127 0.145 Uiso 0.302(5) 1 calc R U P A -1
C111 C 0.6274(6) 0.4994(6) 0.7482(8) 0.098(7) Uani 0.302(5) 1 d DG U P A -1
H111 H 0.643794 0.521112 0.776515 0.117 Uiso 0.302(5) 1 calc R U P A -1
C110 C 0.6212(6) 0.5090(5) 0.6814(9) 0.104(8) Uani 0.302(5) 1 d DG U P A -1
H110 H 0.633322 0.537205 0.664053 0.125 Uiso 0.302(5) 1 calc R U P A -1
C109 C 0.5973(6) 0.4773(7) 0.6399(7) 0.107(7) Uani 0.302(5) 1 d DG U P A -1
H109 H 0.593010 0.483829 0.594202 0.128 Uiso 0.302(5) 1 calc R U P A -1
C108 C 0.5795(6) 0.4360(6) 0.6652(8) 0.111(7) Uani 0.302(5) 1 d DG U P A -1
H108 H 0.563169 0.414359 0.636812 0.133 Uiso 0.302(5) 1 calc R U P A -1
C113 C 0.5858(6) 0.4265(5) 0.7320(9) 0.113(7) Uani 0.302(5) 1 d DG U P A -1
C115 C 0.5701(9) 0.5184(9) 0.6675(9) 0.103(9) Uani 0.198(5) 1 d DG U P A -2
H115 H 0.552390 0.523776 0.627179 0.123 Uiso 0.198(5) 1 calc R U P A -2
C120 C 0.5481(7) 0.5251(9) 0.7269(11) 0.115(10) Uani 0.198(5) 1 d DG U P A -2
C119 C 0.5741(8) 0.5172(9) 0.7859(9) 0.111(10) Uani 0.198(5) 1 d DG U P A -2
H119 H 0.559019 0.521829 0.826563 0.133 Uiso 0.198(5) 1 calc R U P A -2
C118 C 0.6220(8) 0.5026(8) 0.7855(10) 0.095(9) Uani 0.198(5) 1 d DG U P A -2
H118 H 0.639753 0.497215 0.825823 0.113 Uiso 0.198(5) 1 calc R U P A -2
C117 C 0.6440(7) 0.4959(7) 0.7261(12) 0.072(7) Uani 0.198(5) 1 d DG U P A -2
H117 H 0.676807 0.485882 0.725762 0.086 Uiso 0.198(5) 1 calc R U P A -2
C116 C 0.6181(9) 0.5038(8) 0.6671(10) 0.091(9) Uani 0.198(5) 1 d DG U P A -2
H116 H 0.633126 0.499162 0.626439 0.109 Uiso 0.198(5) 1 calc R U P A -2
C121 C 0.4910(12) 0.5370(16) 0.7273(19) 0.151(17) Uani 0.198(5) 1 d D U P A -2
H12A H 0.484520 0.565929 0.702928 0.227 Uiso 0.198(5) 1 calc R U P A -2
H12B H 0.481311 0.540798 0.772808 0.227 Uiso 0.198(5) 1 calc R U P A -2
H12C H 0.472392 0.511542 0.706453 0.227 Uiso 0.198(5) 1 calc R U P A -2
O10 O 0.58305(10) 0.17972(12) 0.47512(15) 0.0505(8) Uani 1 1 d . . . . .
O11 O 0.57593(13) 0.10320(14) 0.47899(17) 0.0621(10) Uani 1 1 d . . . . .
C27 C 0.55707(16) 0.1424(2) 0.4698(2) 0.0569(15) Uani 1 1 d D . . . .
N4A N 0.5083(2) 0.1409(3) 0.4521(4) 0.0540(18) Uani 0.681(12) 1 d D . P B 1
C28A C 0.4840(3) 0.1854(4) 0.4427(5) 0.0664(17) Uani 0.681(12) 1 d D . P B 1
H28A H 0.509822 0.209820 0.444949 0.080 Uiso 0.681(12) 1 calc R U P B 1
C31A C 0.4804(3) 0.0963(5) 0.4502(5) 0.0664(17) Uani 0.654(15) 1 d D . P B 1
H31A H 0.446391 0.105338 0.437035 0.080 Uiso 0.654(15) 1 calc R U P B 1
C32A C 0.4771(6) 0.0732(6) 0.5164(8) 0.095(5) Uani 0.654(15) 1 d . . P B 1
H32A H 0.458404 0.044331 0.511482 0.142 Uiso 0.654(15) 1 calc R U P B 1
H32B H 0.509717 0.066145 0.534323 0.142 Uiso 0.654(15) 1 calc R U P B 1
H32C H 0.460861 0.094237 0.546403 0.142 Uiso 0.654(15) 1 calc R U P B 1
C29A C 0.4501(5) 0.1962(5) 0.4958(7) 0.082(4) Uani 0.681(12) 1 d . . P B 1
H29A H 0.434773 0.226437 0.487113 0.123 Uiso 0.681(12) 1 calc R U P B 1
H29B H 0.425114 0.172002 0.496882 0.123 Uiso 0.681(12) 1 calc R U P B 1
H29C H 0.468165 0.197159 0.538316 0.123 Uiso 0.681(12) 1 calc R U P B 1
C33A C 0.4957(4) 0.0637(6) 0.3973(6) 0.097(4) Uani 0.654(15) 1 d D . P B 1
H33A H 0.476252 0.035163 0.398422 0.145 Uiso 0.654(15) 1 calc R U P B 1
H33B H 0.490743 0.078665 0.354237 0.145 Uiso 0.654(15) 1 calc R U P B 1
H33C H 0.530037 0.055884 0.404604 0.145 Uiso 0.654(15) 1 calc R U P B 1
C30A C 0.4576(3) 0.1903(6) 0.3757(5) 0.106(5) Uani 0.681(12) 1 d D . P B 1
H30A H 0.442122 0.220962 0.372573 0.159 Uiso 0.681(12) 1 calc R U P B 1
H30B H 0.480895 0.187193 0.340948 0.159 Uiso 0.681(12) 1 calc R U P B 1
H30C H 0.432900 0.165979 0.370598 0.159 Uiso 0.681(12) 1 calc R U P B 1
N4B N 0.5086(5) 0.1612(6) 0.4624(10) 0.0540(18) Uani 0.319(12) 1 d D . P B 2
C28B C 0.4887(6) 0.2096(8) 0.4648(10) 0.0664(17) Uani 0.319(12) 1 d D . P B 2
H28B H 0.515973 0.229900 0.481391 0.080 Uiso 0.319(12) 1 calc R U P B 2
C29B C 0.4481(10) 0.2165(12) 0.5116(15) 0.085(8) Uani 0.319(12) 1 d D . P B 2
H29D H 0.437415 0.248997 0.509967 0.127 Uiso 0.319(12) 1 calc R U P B 2
H29E H 0.420900 0.196103 0.498703 0.127 Uiso 0.319(12) 1 calc R U P B 2
H29F H 0.459795 0.208805 0.556484 0.127 Uiso 0.319(12) 1 calc R U P B 2
C30B C 0.4711(14) 0.2301(15) 0.3968(14) 0.153(18) Uani 0.319(12) 1 d . . P B 2
H30D H 0.458674 0.261679 0.402900 0.229 Uiso 0.319(12) 1 calc R U P B 2
H30E H 0.498289 0.231040 0.367408 0.229 Uiso 0.319(12) 1 calc R U P B 2
H30F H 0.445282 0.210404 0.377334 0.229 Uiso 0.319(12) 1 calc R U P B 2
C31B C 0.4722(6) 0.1213(9) 0.4435(9) 0.0664(17) Uani 0.346(15) 1 d D . P B 2
H31B H 0.439879 0.135974 0.433586 0.080 Uiso 0.346(15) 1 calc R U P B 2
C33B C 0.4863(8) 0.0965(12) 0.3831(12) 0.103(8) Uani 0.346(15) 1 d . . P B 2
H33D H 0.487979 0.118787 0.346811 0.154 Uiso 0.346(15) 1 calc R U P B 2
H33E H 0.518049 0.081877 0.391071 0.154 Uiso 0.346(15) 1 calc R U P B 2
H33F H 0.462132 0.072542 0.371646 0.154 Uiso 0.346(15) 1 calc R U P B 2
C32B C 0.4678(13) 0.0921(12) 0.5046(15) 0.095(5) Uani 0.346(15) 1 d D . P B 2
H32D H 0.458382 0.112046 0.541063 0.142 Uiso 0.346(15) 1 calc R U P B 2
H32E H 0.443125 0.068066 0.496565 0.142 Uiso 0.346(15) 1 calc R U P B 2
H32F H 0.499041 0.077402 0.515989 0.142 Uiso 0.346(15) 1 calc R U P B 2


_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
Dy2 O12 2.247(2) . ?
Dy2 O2 2.372(2) 7_656 ?
Dy2 O3 2.298(2) . ?
Dy2 O16 2.397(2) . ?
Dy2 O14 2.321(2) . ?
Dy2 O17 2.622(3) . ?
Dy2 O8 2.263(2) . ?
Dy2 N5 2.549(3) . ?
Dy1 O12 2.243(2) . ?
Dy1 O14 2.382(2) . ?
Dy1 O13 2.532(3) . ?
Dy1 O6 2.275(3) . ?
Dy1 O1 2.381(2) . ?
Dy1 O5 2.394(2) . ?
Dy1 O4 2.358(2) . ?
Dy1 O15 2.539(3) . ?
Dy3 O2 2.395(2) 7_656 ?
Dy3 O16 2.381(2) . ?
Dy3 O9 2.291(2) . ?
Dy3 O1 2.433(2) 7_656 ?
Dy3 O7 2.265(3) 7_656 ?
Dy3 N6 2.563(4) . ?
Dy3 O10 2.419(3) . ?
Dy3 O11 2.360(3) . ?
O12 C6 1.406(4) . ?
O2 C1 1.302(4) . ?
O3 C1 1.259(4) . ?
O16 C44 1.327(4) . ?
O14 C35 1.314(4) . ?
O17 C45 1.386(5) . ?
O17 C43 1.440(5) . ?
O8 C4 1.263(4) . ?
O13 C7 1.442(5) . ?
O13 C8 1.370(6) . ?
O9 C4 1.265(4) . ?
O6 C3 1.260(4) . ?
O1 C1 1.298(4) . ?
O5 C2 1.280(5) . ?
O4 C2 1.274(4) . ?
O15 C36 1.420(6) . ?
O15 C34 1.433(6) . ?
O7 C3 1.270(4) . ?
N5 C42 1.499(6) . ?
N5 C41A 1.244(6) . ?
N1 C2 1.369(4) . ?
N1 C12 1.468(5) . ?
N1 C9 1.480(5) . ?
N6 C50 1.274(6) . ?
N6 C51 1.472(6) . ?
N3 C4 1.367(4) . ?
N3 C21 1.468(5) . ?
N3 C24 1.471(5) . ?
C44 C49 1.397(6) . ?
C44 C45 1.429(6) . ?
C49 C48 1.435(7) . ?
C49 C50 1.435(7) . ?
C48 H48 0.9500 . ?
C48 C47 1.335(9) . ?
C47 H47 0.9500 . ?
C47 C46 1.384(8) . ?
C46 H46 0.9500 . ?
C46 C45 1.365(6) . ?
N2 C3 1.348(5) . ?
N2 C18 1.487(6) . ?
N2 C15 1.466(5) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.490(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C35 C40 1.345(6) . ?
C35 C36 1.475(6) . ?
C40 C39 1.481(7) . ?
C40 C41A 1.383(7) . ?
C39 H39 0.9500 . ?
C39 C38 1.333(8) . ?
C38 H38 0.9500 . ?
C38 C37 1.406(8) . ?
C37 H37 0.9500 . ?
C37 C36 1.331(7) . ?
C50 H50 0.9500 . ?
C12 H12 1.0000 . ?
C12 C13 1.520(6) . ?
C12 C14 1.521(5) . ?
C9 H9 1.0000 . ?
C9 C11 1.518(6) . ?
C9 C10 1.514(7) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C41A H41A 0.9500 . ?
C21 H21 1.0000 . ?
C21 C23 1.522(7) . ?
C21 C22 1.518(7) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16 C15 1.511(8) . ?
C24 H24 1.0000 . ?
C24 C25 1.521(8) . ?
C24 C26 1.526(8) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.527(10) . ?
C18 C20 1.489(9) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C15 H15 1.0000 . ?
C15 C17 1.521(9) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C107 C106 1.463(7) . ?
C105 H105 0.9500 . ?
C105 C104 1.3900 . ?
C105 C106 1.3900 . ?
C104 H104 0.9500 . ?
C104 C103 1.3900 . ?
C103 H103 0.9500 . ?
C103 C102 1.3900 . ?
C102 H102 0.9500 . ?
C102 C101 1.3900 . ?
C101 H101 0.9500 . ?
C101 C106 1.3900 . ?
C114 H11D 0.9800 . ?
C114 H11E 0.9800 . ?
C114 H11F 0.9800 . ?
C114 C113 1.61(3) . ?
C112 H112 0.9500 . ?
C112 C111 1.3900 . ?
C112 C113 1.3900 . ?
C111 H111 0.9500 . ?
C111 C110 1.3900 . ?
C110 H110 0.9500 . ?
C110 C109 1.3900 . ?
C109 H109 0.9500 . ?
C109 C108 1.3900 . ?
C108 H108 0.9500 . ?
C108 C113 1.3900 . ?
C115 H115 0.9500 . ?
C115 C120 1.3900 . ?
C115 C116 1.3900 . ?
C120 C119 1.3900 . ?
C120 C121 1.62(3) . ?
C119 H119 0.9500 . ?
C119 C118 1.3900 . ?
C118 H118 0.9500 . ?
C118 C117 1.3900 . ?
C117 H117 0.9500 . ?
C117 C116 1.3900 . ?
C116 H116 0.9500 . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
O10 C27 1.291(6) . ?
O11 C27 1.252(7) . ?
C27 N4A 1.381(7) . ?
C27 N4B 1.445(14) . ?
N4A C28A 1.451(12) . ?
N4A C31A 1.495(13) . ?
C28A H28A 1.0000 . ?
C28A C29A 1.493(14) . ?
C28A C30A 1.524(11) . ?
C31A H31A 1.0000 . ?
C31A C32A 1.507(14) . ?
C31A C33A 1.501(12) . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32A H32C 0.9800 . ?
C29A H29A 0.9800 . ?
C29A H29B 0.9800 . ?
C29A H29C 0.9800 . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C33A H33C 0.9800 . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
N4B C28B 1.497(18) . ?
N4B C31B 1.56(2) . ?
C28B H28B 1.0000 . ?
C28B C29B 1.513(17) . ?
C28B C30B 1.56(3) . ?
C29B H29D 0.9800 . ?
C29B H29E 0.9800 . ?
C29B H29F 0.9800 . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?
C31B H31B 1.0000 . ?
C31B C33B 1.49(3) . ?
C31B C32B 1.508(16) . ?
C33B H33D 0.9800 . ?
C33B H33E 0.9800 . ?
C33B H33F 0.9800 . ?
C32B H32D 0.9800 . ?
C32B H32E 0.9800 . ?
C32B H32F 0.9800 . ?

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
O12 Dy2 O2 83.30(8) . 7_656 ?
O12 Dy2 O3 83.32(8) . . ?
O12 Dy2 O16 150.45(8) . . ?
O12 Dy2 O14 68.54(9) . . ?
O12 Dy2 O17 142.50(8) . . ?
O12 Dy2 O8 79.84(9) . . ?
O12 Dy2 N5 119.18(9) . . ?
O2 Dy2 O16 69.28(8) 7_656 . ?
O2 Dy2 O17 112.07(8) 7_656 . ?
O2 Dy2 N5 140.83(9) 7_656 . ?
O3 Dy2 O2 80.05(7) . 7_656 ?
O3 Dy2 O16 101.88(8) . . ?
O3 Dy2 O14 80.12(8) . . ?
O3 Dy2 O17 67.09(8) . . ?
O3 Dy2 N5 130.69(10) . . ?
O16 Dy2 O17 62.50(8) . . ?
O16 Dy2 N5 79.54(9) . . ?
O14 Dy2 O2 147.11(8) . 7_656 ?
O14 Dy2 O16 140.89(8) . . ?
O14 Dy2 O17 83.57(8) . . ?
O14 Dy2 N5 70.80(10) . . ?
O8 Dy2 O2 79.42(8) . 7_656 ?
O8 Dy2 O3 154.76(9) . . ?
O8 Dy2 O16 84.37(9) . . ?
O8 Dy2 O14 110.49(8) . . ?
O8 Dy2 O17 135.14(9) . . ?
O8 Dy2 N5 74.34(10) . . ?
N5 Dy2 O17 70.73(9) . . ?
O12 Dy1 O14 67.52(8) . . ?
O12 Dy1 O13 68.04(9) . . ?
O12 Dy1 O6 144.79(10) . . ?
O12 Dy1 O1 86.34(8) . . ?
O12 Dy1 O5 121.01(8) . . ?
O12 Dy1 O4 84.25(9) . . ?
O12 Dy1 O15 129.19(9) . . ?
O14 Dy1 O13 134.33(8) . . ?
O14 Dy1 O5 86.77(8) . . ?
O14 Dy1 O15 64.07(9) . . ?
O13 Dy1 O15 149.62(10) . . ?
O6 Dy1 O14 145.37(10) . . ?
O6 Dy1 O13 76.91(10) . . ?
O6 Dy1 O1 83.80(8) . . ?
O6 Dy1 O5 82.23(9) . . ?
O6 Dy1 O4 90.04(10) . . ?
O6 Dy1 O15 81.30(11) . . ?
O1 Dy1 O14 88.14(8) . . ?
O1 Dy1 O13 79.07(9) . . ?
O1 Dy1 O5 147.23(8) . . ?
O1 Dy1 O15 77.74(8) . . ?
O5 Dy1 O13 125.71(9) . . ?
O5 Dy1 O15 70.93(8) . . ?
O4 Dy1 O14 110.31(9) . . ?
O4 Dy1 O13 74.92(10) . . ?
O4 Dy1 O1 153.99(9) . . ?
O4 Dy1 O5 55.42(9) . . ?
O4 Dy1 O15 126.34(9) . . ?
O2 Dy3 O1 54.08(7) 7_656 7_656 ?
O2 Dy3 N6 135.97(9) 7_656 . ?
O2 Dy3 O10 82.39(10) 7_656 . ?
O16 Dy3 O2 69.16(8) . 7_656 ?
O16 Dy3 O1 88.46(8) . 7_656 ?
O16 Dy3 N6 70.54(10) . . ?
O16 Dy3 O10 150.75(10) . . ?
O9 Dy3 O2 81.32(8) . 7_656 ?
O9 Dy3 O16 86.13(9) . . ?
O9 Dy3 O1 133.74(9) . 7_656 ?
O9 Dy3 N6 79.00(10) . . ?
O9 Dy3 O10 82.89(10) . . ?
O9 Dy3 O11 82.82(11) . . ?
O1 Dy3 N6 140.80(10) 7_656 . ?
O7 Dy3 O2 127.72(9) 7_656 7_656 ?
O7 Dy3 O16 95.73(10) 7_656 . ?
O7 Dy3 O9 149.58(10) 7_656 . ?
O7 Dy3 O1 76.68(9) 7_656 7_656 ?
O7 Dy3 N6 73.13(10) 7_656 . ?
O7 Dy3 O10 107.37(11) 7_656 . ?
O7 Dy3 O11 80.42(12) 7_656 . ?
O10 Dy3 O1 79.92(9) . 7_656 ?
O10 Dy3 N6 132.85(12) . . ?
O11 Dy3 O2 136.03(12) . 7_656 ?
O11 Dy3 O16 149.63(12) . . ?
O11 Dy3 O1 119.29(11) . 7_656 ?
O11 Dy3 N6 79.60(14) . . ?
O11 Dy3 O10 55.05(13) . . ?
Dy1 O12 Dy2 111.98(10) . . ?
C6 O12 Dy2 127.9(2) . . ?
C6 O12 Dy1 119.1(2) . . ?
Dy2 O2 Dy3 107.38(9) 7_656 7_656 ?
C1 O2 Dy2 124.58(19) . 7_656 ?
C1 O2 Dy3 95.89(18) . 7_656 ?
C1 O3 Dy2 142.3(2) . . ?
Dy3 O16 Dy2 107.01(9) . . ?
C44 O16 Dy2 122.0(2) . . ?
C44 O16 Dy3 130.9(2) . . ?
Dy2 O14 Dy1 104.63(9) . . ?
C35 O14 Dy2 129.2(2) . . ?
C35 O14 Dy1 124.7(2) . . ?
C45 O17 Dy2 115.3(2) . . ?
C45 O17 C43 117.9(3) . . ?
C43 O17 Dy2 126.4(2) . . ?
C4 O8 Dy2 140.6(2) . . ?
C7 O13 Dy1 111.6(2) . . ?
C8 O13 Dy1 132.6(3) . . ?
C8 O13 C7 115.2(4) . . ?
C4 O9 Dy3 135.3(2) . . ?
C3 O6 Dy1 140.0(2) . . ?
Dy1 O1 Dy3 137.40(10) . 7_656 ?
C1 O1 Dy1 128.13(19) . . ?
C1 O1 Dy3 94.25(17) . 7_656 ?
C2 O5 Dy1 91.4(2) . . ?
C2 O4 Dy1 93.1(2) . . ?
C36 O15 Dy1 115.5(2) . . ?
C36 O15 C34 120.1(4) . . ?
C34 O15 Dy1 122.8(3) . . ?
C3 O7 Dy3 149.6(3) . 7_656 ?
C42 N5 Dy2 117.6(3) . . ?
C41A N5 Dy2 128.2(3) . . ?
C41A N5 C42 114.1(4) . . ?
C2 N1 C12 119.8(3) . . ?
C2 N1 C9 121.2(3) . . ?
C12 N1 C9 119.0(3) . . ?
O2 C1 Dy3 57.00(16) . 7_656 ?
O3 C1 Dy3 172.2(2) . 7_656 ?
O3 C1 O2 121.7(3) . . ?
O3 C1 O1 123.0(3) . . ?
O1 C1 Dy3 58.65(16) . 7_656 ?
O1 C1 O2 115.2(3) . . ?
C50 N6 Dy3 126.5(3) . . ?
C50 N6 C51 115.6(4) . . ?
C51 N6 Dy3 116.3(3) . . ?
C4 N3 C21 120.4(3) . . ?
C4 N3 C24 121.0(3) . . ?
C21 N3 C24 118.5(3) . . ?
O16 C44 C49 124.1(4) . . ?
O16 C44 C45 118.2(3) . . ?
C49 C44 C45 117.7(4) . . ?
C44 C49 C48 118.9(5) . . ?
C44 C49 C50 124.0(4) . . ?
C48 C49 C50 116.9(5) . . ?
C49 C48 H48 119.7 . . ?
C47 C48 C49 120.5(5) . . ?
C47 C48 H48 119.7 . . ?
C48 C47 H47 119.0 . . ?
C48 C47 C46 122.0(6) . . ?
C46 C47 H47 119.0 . . ?
C47 C46 H46 120.5 . . ?
C45 C46 C47 119.0(6) . . ?
C45 C46 H46 120.5 . . ?
O17 C45 C44 113.5(3) . . ?
C46 C45 O17 124.8(4) . . ?
C46 C45 C44 121.7(4) . . ?
O8 C4 O9 123.6(3) . . ?
O8 C4 N3 117.9(3) . . ?
O9 C4 N3 118.5(3) . . ?
O5 C2 N1 120.4(3) . . ?
O4 C2 O5 119.9(3) . . ?
O4 C2 N1 119.7(3) . . ?
C3 N2 C18 119.4(3) . . ?
C3 N2 C15 122.4(3) . . ?
C15 N2 C18 118.2(3) . . ?
O17 C43 H43A 109.5 . . ?
O17 C43 H43B 109.5 . . ?
O17 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O12 C6 H6A 109.9 . . ?
O12 C6 H6B 109.9 . . ?
O12 C6 C7 109.0(3) . . ?
H6A C6 H6B 108.3 . . ?
C7 C6 H6A 109.9 . . ?
C7 C6 H6B 109.9 . . ?
O6 C3 O7 122.9(3) . . ?
O6 C3 N2 118.6(3) . . ?
O7 C3 N2 118.5(3) . . ?
O13 C7 C6 107.5(3) . . ?
O13 C7 H7A 110.2 . . ?
O13 C7 H7B 110.2 . . ?
C6 C7 H7A 110.2 . . ?
C6 C7 H7B 110.2 . . ?
H7A C7 H7B 108.5 . . ?
O14 C35 C40 126.1(4) . . ?
O14 C35 C36 114.7(4) . . ?
C40 C35 C36 119.2(4) . . ?
C35 C40 C39 118.7(5) . . ?
C35 C40 C41A 124.7(4) . . ?
C41A C40 C39 116.6(5) . . ?
C40 C39 H39 121.1 . . ?
C38 C39 C40 117.9(6) . . ?
C38 C39 H39 121.1 . . ?
C39 C38 H38 117.4 . . ?
C39 C38 C37 125.2(5) . . ?
C37 C38 H38 117.4 . . ?
C38 C37 H37 121.6 . . ?
C36 C37 C38 116.7(5) . . ?
C36 C37 H37 121.6 . . ?
O15 C36 C35 114.4(4) . . ?
C37 C36 O15 123.4(5) . . ?
C37 C36 C35 122.2(5) . . ?
N6 C50 C49 127.1(4) . . ?
N6 C50 H50 116.5 . . ?
C49 C50 H50 116.5 . . ?
N1 C12 H12 107.4 . . ?
N1 C12 C13 111.0(4) . . ?
N1 C12 C14 112.1(3) . . ?
C13 C12 H12 107.4 . . ?
C13 C12 C14 111.4(3) . . ?
C14 C12 H12 107.4 . . ?
N1 C9 H9 106.2 . . ?
N1 C9 C11 112.2(4) . . ?
N1 C9 C10 113.0(4) . . ?
C11 C9 H9 106.2 . . ?
C10 C9 H9 106.2 . . ?
C10 C9 C11 112.4(4) . . ?
N5 C42 H42A 109.5 . . ?
N5 C42 H42B 109.5 . . ?
N5 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N5 C41A C40 126.5(4) . . ?
N5 C41A H41A 116.7 . . ?
C40 C41A H41A 116.7 . . ?
N3 C21 H21 107.1 . . ?
N3 C21 C23 111.5(4) . . ?
N3 C21 C22 111.3(4) . . ?
C23 C21 H21 107.1 . . ?
C22 C21 H21 107.1 . . ?
C22 C21 C23 112.4(4) . . ?
O15 C34 H34A 109.5 . . ?
O15 C34 H34B 109.5 . . ?
O15 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N6 C51 H51A 109.5 . . ?
N6 C51 H51B 109.5 . . ?
N6 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O13 C8 H8A 109.5 . . ?
O13 C8 H8B 109.5 . . ?
O13 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
N3 C24 H24 106.1 . . ?
N3 C24 C25 111.4(4) . . ?
N3 C24 C26 112.9(5) . . ?
C25 C24 H24 106.1 . . ?
C25 C24 C26 113.4(5) . . ?
C26 C24 H24 106.1 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 C18 H18 106.6 . . ?
N2 C18 C19 110.3(5) . . ?
N2 C18 C20 112.6(6) . . ?
C19 C18 H18 106.6 . . ?
C20 C18 H18 106.6 . . ?
C20 C18 C19 113.7(6) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N2 C15 C16 113.0(5) . . ?
N2 C15 H15 106.1 . . ?
N2 C15 C17 112.4(5) . . ?
C16 C15 H15 106.1 . . ?
C16 C15 C17 112.5(5) . . ?
C17 C15 H15 106.1 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
H10D C107 H10E 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C106 C107 H10D 109.5 . . ?
C106 C107 H10E 109.5 . . ?
C106 C107 H10F 109.5 . . ?
C104 C105 H105 120.0 . . ?
C104 C105 C106 120.0 . . ?
C106 C105 H105 120.0 . . ?
C105 C104 H104 120.0 . . ?
C105 C104 C103 120.0 . . ?
C103 C104 H104 120.0 . . ?
C104 C103 H103 120.0 . . ?
C102 C103 C104 120.0 . . ?
C102 C103 H103 120.0 . . ?
C103 C102 H102 120.0 . . ?
C103 C102 C101 120.0 . . ?
C101 C102 H102 120.0 . . ?
C102 C101 H101 120.0 . . ?
C106 C101 C102 120.0 . . ?
C106 C101 H101 120.0 . . ?
C105 C106 C107 119.6(4) . . ?
C101 C106 C107 120.4(4) . . ?
C101 C106 C105 120.0 . . ?
H11D C114 H11E 109.5 . . ?
H11D C114 H11F 109.5 . . ?
H11E C114 H11F 109.5 . . ?
C113 C114 H11D 109.5 . . ?
C113 C114 H11E 109.5 . . ?
C113 C114 H11F 109.5 . . ?
C111 C112 H112 120.0 . . ?
C111 C112 C113 120.0 . . ?
C113 C112 H112 120.0 . . ?
C112 C111 H111 120.0 . . ?
C110 C111 C112 120.0 . . ?
C110 C111 H111 120.0 . . ?
C111 C110 H110 120.0 . . ?
C109 C110 C111 120.0 . . ?
C109 C110 H110 120.0 . . ?
C110 C109 H109 120.0 . . ?
C108 C109 C110 120.0 . . ?
C108 C109 H109 120.0 . . ?
C109 C108 H108 120.0 . . ?
C109 C108 C113 120.0 . . ?
C113 C108 H108 120.0 . . ?
C112 C113 C114 119.2(7) . . ?
C108 C113 C114 120.5(7) . . ?
C108 C113 C112 120.0 . . ?
C120 C115 H115 120.0 . . ?
C120 C115 C116 120.0 . . ?
C116 C115 H115 120.0 . . ?
C115 C120 C121 119.8(7) . . ?
C119 C120 C115 120.0 . . ?
C119 C120 C121 119.9(7) . . ?
C120 C119 H119 120.0 . . ?
C120 C119 C118 120.0 . . ?
C118 C119 H119 120.0 . . ?
C119 C118 H118 120.0 . . ?
C117 C118 C119 120.0 . . ?
C117 C118 H118 120.0 . . ?
C118 C117 H117 120.0 . . ?
C118 C117 C116 120.0 . . ?
C116 C117 H117 120.0 . . ?
C115 C116 H116 120.0 . . ?
C117 C116 C115 120.0 . . ?
C117 C116 H116 120.0 . . ?
C120 C121 H12A 109.5 . . ?
C120 C121 H12B 109.5 . . ?
C120 C121 H12C 109.5 . . ?
H12A C121 H12B 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C27 O10 Dy3 90.3(3) . . ?
C27 O11 Dy3 94.1(3) . . ?
O10 C27 N4A 125.5(7) . . ?
O10 C27 N4B 102.0(9) . . ?
O11 C27 O10 120.5(4) . . ?
O11 C27 N4A 113.9(6) . . ?
O11 C27 N4B 136.8(9) . . ?
C27 N4A C28A 116.5(6) . . ?
C27 N4A C31A 122.0(8) . . ?
C28A N4A C31A 121.2(7) . . ?
N4A C28A H28A 106.8 . . ?
N4A C28A C29A 112.8(9) . . ?
N4A C28A C30A 113.6(9) . . ?
C29A C28A H28A 106.8 . . ?
C29A C28A C30A 109.7(9) . . ?
C30A C28A H28A 106.8 . . ?
N4A C31A H31A 105.1 . . ?
N4A C31A C32A 113.9(9) . . ?
N4A C31A C33A 113.2(8) . . ?
C32A C31A H31A 105.1 . . ?
C33A C31A H31A 105.1 . . ?
C33A C31A C32A 113.3(11) . . ?
C31A C32A H32A 109.5 . . ?
C31A C32A H32B 109.5 . . ?
C31A C32A H32C 109.5 . . ?
H32A C32A H32B 109.5 . . ?
H32A C32A H32C 109.5 . . ?
H32B C32A H32C 109.5 . . ?
C28A C29A H29A 109.5 . . ?
C28A C29A H29B 109.5 . . ?
C28A C29A H29C 109.5 . . ?
H29A C29A H29B 109.5 . . ?
H29A C29A H29C 109.5 . . ?
H29B C29A H29C 109.5 . . ?
C31A C33A H33A 109.5 . . ?
C31A C33A H33B 109.5 . . ?
C31A C33A H33C 109.5 . . ?
H33A C33A H33B 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
C28A C30A H30A 109.5 . . ?
C28A C30A H30B 109.5 . . ?
C28A C30A H30C 109.5 . . ?
H30A C30A H30B 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
C27 N4B C28B 133.1(13) . . ?
C27 N4B C31B 109.6(14) . . ?
C28B N4B C31B 117.1(14) . . ?
N4B C28B H28B 106.2 . . ?
N4B C28B C29B 115.2(18) . . ?
N4B C28B C30B 114.9(19) . . ?
C29B C28B H28B 106.2 . . ?
C29B C28B C30B 107(2) . . ?
C30B C28B H28B 106.2 . . ?
C28B C29B H29D 109.5 . . ?
C28B C29B H29E 109.5 . . ?
C28B C29B H29F 109.5 . . ?
H29D C29B H29E 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
C28B C30B H30D 109.5 . . ?
C28B C30B H30E 109.5 . . ?
C28B C30B H30F 109.5 . . ?
H30D C30B H30E 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?
N4B C31B H31B 107.4 . . ?
C33B C31B N4B 111.4(15) . . ?
C33B C31B H31B 107.4 . . ?
C33B C31B C32B 117(2) . . ?
C32B C31B N4B 106.2(17) . . ?
C32B C31B H31B 107.4 . . ?
C31B C33B H33D 109.5 . . ?
C31B C33B H33E 109.5 . . ?
C31B C33B H33F 109.5 . . ?
H33D C33B H33E 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
C31B C32B H32D 109.5 . . ?
C31B C32B H32E 109.5 . . ?
C31B C32B H32F 109.5 . . ?
H32D C32B H32E 109.5 . . ?
H32D C32B H32F 109.5 . . ?
H32E C32B H32F 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
Dy2 O12 C6 C7 -117.6(3) . . . . ?
Dy2 O2 C1 Dy3 -115.8(2) 7_656 . . 7_656 ?
Dy2 O2 C1 O3 73.2(4) 7_656 . . . ?
Dy2 O2 C1 O1 -108.4(3) 7_656 . . . ?
Dy2 O3 C1 O2 -151.5(2) . . . . ?
Dy2 O3 C1 O1 30.3(5) . . . . ?
Dy2 O16 C44 C49 151.1(3) . . . . ?
Dy2 O16 C44 C45 -27.8(4) . . . . ?
Dy2 O14 C35 C40 -38.2(5) . . . . ?
Dy2 O14 C35 C36 142.1(3) . . . . ?
Dy2 O17 C45 C44 17.9(4) . . . . ?
Dy2 O17 C45 C46 -162.1(4) . . . . ?
Dy2 O8 C4 O9 18.6(7) . . . . ?
Dy2 O8 C4 N3 -162.0(3) . . . . ?
Dy2 N5 C41A C40 8.0(6) . . . . ?
Dy1 O12 C6 C7 50.0(4) . . . . ?
Dy1 O14 C35 C40 157.9(3) . . . . ?
Dy1 O14 C35 C36 -21.8(4) . . . . ?
Dy1 O13 C7 C6 35.5(4) . . . . ?
Dy1 O6 C3 O7 -10.9(7) . . . . ?
Dy1 O6 C3 N2 168.4(3) . . . . ?
Dy1 O1 C1 Dy3 175.3(3) . . . 7_656 ?
Dy1 O1 C1 O2 168.0(2) . . . . ?
Dy1 O1 C1 O3 -13.7(5) . . . . ?
Dy1 O5 C2 O4 4.3(4) . . . . ?
Dy1 O5 C2 N1 -175.8(3) . . . . ?
Dy1 O4 C2 O5 -4.4(4) . . . . ?
Dy1 O4 C2 N1 175.7(3) . . . . ?
Dy1 O15 C36 C35 18.7(4) . . . . ?
Dy1 O15 C36 C37 -161.0(4) . . . . ?
Dy3 O2 C1 O3 -170.9(3) 7_656 . . . ?
Dy3 O2 C1 O1 7.5(3) 7_656 . . . ?
Dy3 O16 C44 C49 -32.6(5) . . . . ?
Dy3 O16 C44 C45 148.5(3) . . . . ?
Dy3 O9 C4 O8 -18.4(6) . . . . ?
Dy3 O9 C4 N3 162.2(3) . . . . ?
Dy3 O1 C1 O2 -7.3(3) 7_656 . . . ?
Dy3 O1 C1 O3 171.0(3) 7_656 . . . ?
Dy3 O7 C3 O6 -39.0(8) 7_656 . . . ?
Dy3 O7 C3 N2 141.8(4) 7_656 . . . ?
Dy3 N6 C50 C49 19.5(6) . . . . ?
Dy3 O10 C27 O11 -0.5(4) . . . . ?
Dy3 O10 C27 N4A -178.1(6) . . . . ?
Dy3 O10 C27 N4B 171.8(9) . . . . ?
Dy3 O11 C27 O10 0.5(4) . . . . ?
Dy3 O11 C27 N4A 178.4(5) . . . . ?
Dy3 O11 C27 N4B -168.4(13) . . . . ?
O12 C6 C7 O13 -54.1(4) . . . . ?
O16 C44 C49 C48 177.8(4) . . . . ?
O16 C44 C49 C50 -7.6(6) . . . . ?
O16 C44 C45 O17 4.0(5) . . . . ?
O16 C44 C45 C46 -176.0(4) . . . . ?
O14 C35 C40 C39 -177.9(4) . . . . ?
O14 C35 C40 C41A -1.3(7) . . . . ?
O14 C35 C36 O15 -0.1(4) . . . . ?
O14 C35 C36 C37 179.5(4) . . . . ?
C44 C49 C48 C47 -0.2(8) . . . . ?
C44 C49 C50 N6 12.2(7) . . . . ?
C49 C44 C45 O17 -175.0(3) . . . . ?
C49 C44 C45 C46 5.0(6) . . . . ?
C49 C48 C47 C46 2.2(10) . . . . ?
C48 C49 C50 N6 -173.1(4) . . . . ?
C48 C47 C46 C45 -0.6(10) . . . . ?
C47 C46 C45 O17 176.9(5) . . . . ?
C47 C46 C45 C44 -3.1(8) . . . . ?
C45 C44 C49 C48 -3.3(6) . . . . ?
C45 C44 C49 C50 171.3(4) . . . . ?
C4 N3 C21 C23 119.1(4) . . . . ?
C4 N3 C21 C22 -114.5(4) . . . . ?
C4 N3 C24 C25 -67.3(6) . . . . ?
C4 N3 C24 C26 61.7(6) . . . . ?
C2 N1 C12 C13 114.2(4) . . . . ?
C2 N1 C12 C14 -120.5(4) . . . . ?
C2 N1 C9 C11 64.6(5) . . . . ?
C2 N1 C9 C10 -63.8(5) . . . . ?
C43 O17 C45 C44 -168.9(3) . . . . ?
C43 O17 C45 C46 11.1(6) . . . . ?
C3 N2 C18 C19 105.5(6) . . . . ?
C3 N2 C18 C20 -126.2(6) . . . . ?
C3 N2 C15 C16 -64.0(7) . . . . ?
C3 N2 C15 C17 64.8(7) . . . . ?
C35 C40 C39 C38 -0.9(7) . . . . ?
C35 C40 C41A N5 15.3(7) . . . . ?
C40 C35 C36 O15 -179.9(3) . . . . ?
C40 C35 C36 C37 -0.2(6) . . . . ?
C40 C39 C38 C37 -1.5(9) . . . . ?
C39 C40 C41A N5 -167.9(4) . . . . ?
C39 C38 C37 C36 3.0(9) . . . . ?
C38 C37 C36 O15 177.5(4) . . . . ?
C38 C37 C36 C35 -2.1(7) . . . . ?
C36 C35 C40 C39 1.7(6) . . . . ?
C36 C35 C40 C41A 178.4(4) . . . . ?
C50 C49 C48 C47 -175.1(5) . . . . ?
C12 N1 C2 O5 4.1(5) . . . . ?
C12 N1 C2 O4 -176.0(3) . . . . ?
C12 N1 C9 C11 -116.5(4) . . . . ?
C12 N1 C9 C10 115.1(4) . . . . ?
C9 N1 C2 O5 -177.0(4) . . . . ?
C9 N1 C2 O4 2.9(6) . . . . ?
C9 N1 C12 C13 -64.7(5) . . . . ?
C9 N1 C12 C14 60.6(5) . . . . ?
C42 N5 C41A C40 -175.7(4) . . . . ?
C41A C40 C39 C38 -177.9(5) . . . . ?
C21 N3 C4 O8 3.1(6) . . . . ?
C21 N3 C4 O9 -177.5(4) . . . . ?
C21 N3 C24 C25 109.8(5) . . . . ?
C21 N3 C24 C26 -121.3(5) . . . . ?
C34 O15 C36 C35 -175.1(4) . . . . ?
C34 O15 C36 C37 5.3(6) . . . . ?
C51 N6 C50 C49 -175.2(4) . . . . ?
C8 O13 C7 C6 -136.4(5) . . . . ?
C24 N3 C4 O8 -179.9(4) . . . . ?
C24 N3 C4 O9 -0.4(6) . . . . ?
C24 N3 C21 C23 -58.0(6) . . . . ?
C24 N3 C21 C22 68.4(6) . . . . ?
C18 N2 C3 O6 179.9(5) . . . . ?
C18 N2 C3 O7 -0.8(7) . . . . ?
C18 N2 C15 C16 114.5(6) . . . . ?
C18 N2 C15 C17 -116.7(6) . . . . ?
C15 N2 C3 O6 -1.6(7) . . . . ?
C15 N2 C3 O7 177.7(5) . . . . ?
C15 N2 C18 C19 -73.0(7) . . . . ?
C15 N2 C18 C20 55.2(8) . . . . ?
C105 C104 C103 C102 0.0 . . . . ?
C104 C105 C106 C107 -179.9(4) . . . . ?
C104 C105 C106 C101 0.0 . . . . ?
C104 C103 C102 C101 0.0 . . . . ?
C103 C102 C101 C106 0.0 . . . . ?
C102 C101 C106 C107 179.9(4) . . . . ?
C102 C101 C106 C105 0.0 . . . . ?
C106 C105 C104 C103 0.0 . . . . ?
C112 C111 C110 C109 0.0 . . . . ?
C111 C112 C113 C114 174(2) . . . . ?
C111 C112 C113 C108 0.0 . . . . ?
C111 C110 C109 C108 0.0 . . . . ?
C110 C109 C108 C113 0.0 . . . . ?
C109 C108 C113 C114 -174(2) . . . . ?
C109 C108 C113 C112 0.0 . . . . ?
C113 C112 C111 C110 0.0 . . . . ?
C115 C120 C119 C118 0.0 . . . . ?
C120 C115 C116 C117 0.0 . . . . ?
C120 C119 C118 C117 0.0 . . . . ?
C119 C118 C117 C116 0.0 . . . . ?
C118 C117 C116 C115 0.0 . . . . ?
C116 C115 C120 C119 0.0 . . . . ?
C116 C115 C120 C121 -174(3) . . . . ?
C121 C120 C119 C118 174(3) . . . . ?
O10 C27 N4A C28A -4.0(10) . . . . ?
O10 C27 N4A C31A -177.1(6) . . . . ?
O10 C27 N4B C28B -5(2) . . . . ?
O10 C27 N4B C31B 170.7(12) . . . . ?
O11 C27 N4A C28A 178.2(6) . . . . ?
O11 C27 N4A C31A 5.1(10) . . . . ?
O11 C27 N4B C28B 165.6(15) . . . . ?
O11 C27 N4B C31B -19(2) . . . . ?
C27 N4A C28A C29A -108.9(9) . . . . ?
C27 N4A C28A C30A 125.5(8) . . . . ?
C27 N4A C31A C32A 64.2(13) . . . . ?
C27 N4A C31A C33A -67.2(12) . . . . ?
C27 N4B C28B C29B -127(2) . . . . ?
C27 N4B C28B C30B 107(3) . . . . ?
C27 N4B C31B C33B -56(2) . . . . ?
C27 N4B C31B C32B 72(2) . . . . ?
C28A N4A C31A C32A -108.6(11) . . . . ?
C28A N4A C31A C33A 120.0(10) . . . . ?
C31A N4A C28A C29A 64.3(11) . . . . ?
C31A N4A C28A C30A -61.3(11) . . . . ?
C28B N4B C31B C33B 120(2) . . . . ?
C28B N4B C31B C32B -112(2) . . . . ?
C31B N4B C28B C29B 58(3) . . . . ?
C31B N4B C28B C30B -68(3) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 208 electrons were 
found in a volume of 1982Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
1[C7H8] per Unit Cell 
which account for 200 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 -0.442 929.3 104.0 '2 C7H8'
2 0.000 0.491 0.750 30.9 0.0 ?
3 0.000 0.509 0.250 30.9 0.0 ?
4 0.500 0.500 0.350 929.3 104.0 '2 C7H8'
5 0.500 0.009 0.250 30.9 0.0 ?
6 0.500 -0.009 0.750 30.9 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.177
_oxdiff_exptl_absorpt_empirical_full_min 0.876
####################################################################### 
# 
# 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_sor-28d
_database_code_depnum_ccdc_archive 'CCDC 2049540'
loop_
_audit_author_name
_audit_author_address
'Soeren Schlittenhardt'
;Karlsruhe Institute of Technology
Germany
;
_audit_update_record             
;
2021-02-10 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_audit_creation_date             2021-02-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C163.947 H165.947 Dy6 N12 O34, 1(C7 H8), 1.5[C7H8]'
_chemical_formula_sum            'C181.45 H185.95 Dy6 N12 O34'
_chemical_formula_weight         4053.76
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Dy6 N12 O34 C164 H166'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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                   15.05782(16)
_cell_length_b                   20.9377(2)
_cell_length_c                   29.0794(3)
_cell_angle_alpha                90
_cell_angle_beta                 97.1774(9)
_cell_angle_gamma                90
_cell_volume                     9096.21(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    40096
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      27.0580
_cell_measurement_theta_min      1.8210
_shelx_estimated_absorpt_T_max   0.703
_shelx_estimated_absorpt_T_min   0.534
_exptl_absorpt_coefficient_mu    2.505
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89084
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4053
_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.179
_exptl_crystal_size_min          0.151
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_unetI/netI     0.0417
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            64483
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.882
_diffrn_ambient_temperature      180.0
_diffrn_detector                 'imaging plate (34 cm diameter)'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_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    -90.00  90.00   0.80  240.60    --    0.00 180.00 242.00  225
;
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS2T'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0061502000
_diffrn_orient_matrix_UB_12      0.0259929000
_diffrn_orient_matrix_UB_13      -0.0157139000
_diffrn_orient_matrix_UB_21      0.0124358000
_diffrn_orient_matrix_UB_22      0.0215825000
_diffrn_orient_matrix_UB_23      0.0184865000
_diffrn_orient_matrix_UB_31      0.0454065000
_diffrn_orient_matrix_UB_32      -0.0023774000
_diffrn_orient_matrix_UB_33      -0.0039885000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15781
_reflns_number_total             18589
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.04
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.334
_refine_diff_density_min         -1.431
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1237
_refine_ls_number_reflns         18589
_refine_ls_number_restraints     551
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0400
_refine_ls_restrained_S_all      1.048
_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)+(0.0701P)²+7.6460P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1110
_refine_ls_wR_factor_ref         0.1164
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C310-C308 \\sim C308-C314
 with sigma of 0.02
 C47A-C46A \\sim C46C-C28 \\sim C46B-C47B
 with sigma of 0.02
 C46A-N4 \\sim C46B-N4 \\sim C46C-N4
 with sigma of 0.02
 C39A-N4 \\sim N4-C39B
 with sigma of 0.02
 C39B-C40B \\sim C39A-C40A
 with sigma of 0.02
 C303-C301 \\sim C301-C307
 with sigma of 0.02
 C24A-N3 \\sim N3-C24B
 with sigma of 0.02
 C31B-N3 \\sim N3-C31A
 with sigma of 0.02
 C77B-C76 \\sim C76-C77A
 with sigma of 0.02
3. Restrained planarity
 C304, C302, C307, C301, C303, C305, C306
 with sigma of 0.1
 C312, C308, C311, C313, C314, C309, C310
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uanis(C304) \\sim Ueq, Uanis(C302) \\sim Ueq, Uanis(C307) \\sim Ueq,
Uanis(C301) \\sim Ueq, Uanis(C303) \\sim Ueq, Uanis(C305) \\sim Ueq,
Uanis(C306) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C308) \\sim Ueq, Uanis(C309) \\sim Ueq, Uanis(C314) \\sim Ueq,
Uanis(C310) \\sim Ueq, Uanis(C313) \\sim Ueq, Uanis(C311) \\sim Ueq,
Uanis(C312) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C50A) = Uanis(C48C) = Uanis(C50B)
Uanis(C49A) = Uanis(C25) = Uanis(C49B)
Uanis(C51A) = Uanis(C27) = Uanis(C51B)
Uanis(C48B) = Uanis(C24) = Uanis(C48A)
Uanis(C52A) = Uanis(C26) = Uanis(C52B)
Uanis(C47A) = Uanis(C28) = Uanis(C47B)
Uanis(C46A) = Uanis(C46C) = Uanis(C46B)
Uanis(C31A) = Uanis(C31B)
5. Rigid body (RIGU) restrains
 C47B, C52B, C51B, C50B, C49B, C48B, C46B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C47A, C48A, C49A, C50A, C51A, C52A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 N4, C39B, C40B, C41B, C42B, C43B, C44B, C45B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 N3, C24B, C25B, C26B, C27B, C28B, C29B, C30B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C32B, C33B, C34B, C35B, C36B, C37B, C31B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C55, C56, C57, C58, C59, C60
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C25A, C26A, C27A, C28A, C29A, C30A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C32A, C33A, C34A, C35A, C36A, C37A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C77A, C82A, C81A, C80A, C79A, C78A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C40A, C45A, C44A, C43A, C42A, C41A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C77B, C82B, C81B, C80B, C79B, C78B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
6. Others
 1*[Sof(C301)+Sof(H30C)+Sof(H30D)+Sof(H30E)+Sof(C306)+Sof(H306)+Sof(C307)+
 Sof(H307)+Sof(C302)+Sof(C303)+Sof(H303)+Sof(C304)+Sof(H304)+Sof(C305)+
 Sof(H305)]+1*[Sof(C308)+Sof(H30F)+Sof(H30G)+Sof(H30H)+Sof(C311)+Sof(H311)+
 Sof(C312)+Sof(H312)+Sof(C313)+Sof(H313)+Sof(C314)+Sof(H314)+Sof(C309)+
 Sof(C310)+Sof(H310)]=0.5 with esd of 0.00001
 1*[Sof(C46A)+Sof(H46A)+Sof(H46B)+Sof(C52A)+Sof(H52A)+Sof(C51A)+Sof(H51A)+
 Sof(C50A)+Sof(H50A)+Sof(C49A)+Sof(H49A)+Sof(C48A)+Sof(H48A)+Sof(C47A)]+1*
 [Sof(C46B)+Sof(H46C)+Sof(H46D)+Sof(C47B)+Sof(C52B)+Sof(H52B)+Sof(C51B)+
 Sof(H51B)+Sof(C50B)+Sof(H50B)+Sof(C49B)+Sof(H49B)]+1*[Sof(C27)+Sof(H27)+
 Sof(C26)+Sof(H26)+Sof(C28)+Sof(C24)+Sof(H24)+Sof(C25)+Sof(H25)+Sof(C48C)+
 Sof(H48C)+Sof(C46C)+Sof(H46E)+Sof(H46F)]=1 with esd of 0.00001
 Sof(C31B)=Sof(H31C)=Sof(H31D)=Sof(C32B)=Sof(C37B)=Sof(H37B)=Sof(C36B)=
 Sof(H36B)=Sof(C35B)=Sof(H35B)=Sof(C34B)=Sof(H34B)=Sof(C33B)=Sof(H33B)=1-FVAR(1)
 Sof(C32A)=Sof(C37A)=Sof(H37A)=Sof(C36A)=Sof(H36A)=Sof(C35A)=Sof(H35A)=
 Sof(C34A)=Sof(H34A)=Sof(C33A)=Sof(H33A)=Sof(C31A)=Sof(H31A)=Sof(H31B)=FVAR(1)
 Sof(C46A)=Sof(H46A)=Sof(H46B)=Sof(C52A)=Sof(H52A)=Sof(C51A)=Sof(H51A)=
 Sof(C50A)=Sof(H50A)=Sof(C49A)=Sof(H49A)=Sof(C48A)=Sof(H48A)=Sof(C47A)=FVAR(2)
 Sof(C39B)=Sof(H39C)=Sof(H39D)=Sof(C40B)=Sof(C45B)=Sof(H45B)=Sof(C44B)=
 Sof(H44B)=Sof(C43B)=Sof(H43B)=Sof(C42B)=Sof(H42B)=Sof(C41B)=Sof(H41B)=1-FVAR(3)
 Sof(C39A)=Sof(H39A)=Sof(H39B)=Sof(C40A)=Sof(C45A)=Sof(H45A)=Sof(C44A)=
 Sof(H44A)=Sof(C43A)=Sof(H43A)=Sof(C42A)=Sof(H42A)=Sof(C41A)=Sof(H41A)=FVAR(3)
 Sof(H76C)=Sof(H76D)=Sof(C77B)=Sof(C82B)=Sof(H82B)=Sof(C81B)=Sof(H81B)=
 Sof(C80B)=Sof(H80B)=Sof(C79B)=Sof(H79B)=Sof(C78B)=Sof(H78B)=1-FVAR(4)
 Sof(H76A)=Sof(H76B)=Sof(C77A)=Sof(C78A)=Sof(H78A)=Sof(C79A)=Sof(H79A)=
 Sof(C80A)=Sof(H80A)=Sof(C81A)=Sof(H81A)=Sof(C82A)=Sof(H82A)=FVAR(4)
 Sof(C24B)=Sof(H24C)=Sof(H24D)=Sof(C26B)=Sof(H26B)=Sof(C25B)=Sof(C30B)=
 Sof(H30B)=Sof(C29B)=Sof(H29B)=Sof(C28B)=Sof(H28B)=Sof(C27B)=Sof(H27B)=1-FVAR(5)
 Sof(C24A)=Sof(H24A)=Sof(H24B)=Sof(C25A)=Sof(C30A)=Sof(H30A)=Sof(C29A)=
 Sof(H29A)=Sof(C28A)=Sof(H28A)=Sof(C27A)=Sof(H27A)=Sof(C26A)=Sof(H26A)=FVAR(5)
 Sof(C301)=Sof(H30C)=Sof(H30D)=Sof(H30E)=Sof(C306)=Sof(H306)=Sof(C307)=
 Sof(H307)=Sof(C302)=Sof(C303)=Sof(H303)=Sof(C304)=Sof(H304)=Sof(C305)=
 Sof(H305)=FVAR(6)
 Sof(C308)=Sof(H30F)=Sof(H30G)=Sof(H30H)=Sof(C311)=Sof(H311)=Sof(C312)=
 Sof(H312)=Sof(C313)=Sof(H313)=Sof(C314)=Sof(H314)=Sof(C309)=Sof(C310)=
 Sof(H310)=FVAR(7)
 Sof(C46B)=Sof(H46C)=Sof(H46D)=Sof(C47B)=Sof(C52B)=Sof(H52B)=Sof(C51B)=
 Sof(H51B)=Sof(C50B)=Sof(H50B)=Sof(C49B)=Sof(H49B)=FVAR(8)
 Sof(C27)=Sof(H27)=Sof(C26)=Sof(H26)=Sof(C28)=Sof(C24)=Sof(H24)=Sof(C25)=
 Sof(H25)=Sof(C48C)=Sof(H48C)=Sof(C46C)=Sof(H46E)=Sof(H46F)=FVAR(9)
 Sof(C48B)=Sof(H48B)=FVAR(10)
7.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C61(H61A,H61B), C3(H3A,H3B), C69(H69A,H69B), C54(H54A,H54B),
 C76(H76A,H76B), C76(H76C,H76D), C31A(H31A,H31B), C24A(H24A,H24B), C39A(H39A,
 H39B), C31B(H31C,H31D), C46A(H46A,H46B), C46B(H46C,H46D), C39B(H39C,H39D),
 C24B(H24C,H24D), C46C(H46E,H46F)
7.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C8(H8), C7(H7), C67(H67), C14(H14), C75(H75), C18(H18), C9(H9),
 C16(H16), C71(H71), C17(H17), C63(H63), C74(H74), C65(H65), C64(H64), C72(H72),
  C73(H73), C66(H66), C56(H56), C58(H58), C60(H60), C57(H57), C59(H59),
 C37A(H37A), C36A(H36A), C35A(H35A), C34A(H34A), C33A(H33A), C78A(H78A),
 C79A(H79A), C80A(H80A), C81A(H81A), C82A(H82A), C30A(H30A), C29A(H29A),
 C28A(H28A), C27A(H27A), C26A(H26A), C45A(H45A), C44A(H44A), C43A(H43A),
 C42A(H42A), C41A(H41A), C37B(H37B), C36B(H36B), C35B(H35B), C34B(H34B),
 C33B(H33B), C52A(H52A), C51A(H51A), C50A(H50A), C49A(H49A), C48A(H48A),
 C52B(H52B), C51B(H51B), C50B(H50B), C49B(H49B), C48B(H48B), C45B(H45B),
 C44B(H44B), C43B(H43B), C42B(H42B), C41B(H41B), C82B(H82B), C81B(H81B),
 C80B(H80B), C79B(H79B), C78B(H78B), C26B(H26B), C30B(H30B), C29B(H29B),
 C28B(H28B), C27B(H27B), C306(H306), C307(H307), C303(H303), C304(H304),
 C305(H305), C311(H311), C312(H312), C313(H313), C314(H314), C310(H310),
 C27(H27), C26(H26), C24(H24), C25(H25), C48C(H48C)
7.c Fitted hexagon refined as free rotating group:
 C32A(C37A,C36A,C35A,C34A,C33A), C77A(C78A,C79A,C80A,C81A,C82A), C25A(C30A,
 C29A,C28A,C27A,C26A), C40A(C45A,C44A,C43A,C42A,C41A), C32B(C37B,C36B,C35B,C34B,
 C33B), C52A(C51A,C50A,C49A,C48A,C47A), C47B(C52B,C51B,C50B,C49B,C48B),
 C40B(C45B,C44B,C43B,C42B,C41B), C77B(C82B,C81B,C80B,C79B,C78B), C26B(C25B,C30B,
 C29B,C28B,C27B), C306(C307,C302,C303,C304,C305), C311(C312,C313,C314,C309,
 C310), C27(C26,C28,C24,C25,C48C)
7.d Idealised Me refined with riding coordinates:
 C301(H30C,H30D,H30E), C308(H30F,H30G,H30H)
7.e Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C12(H12A,H12B,H12C), C4(H4A,H4B,H4C), C22(H22A,H22B,
 H22C), C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Dy3 Dy 0.47956(2) 0.33614(2) 0.58373(2) 0.03166(7) Uani 1 1 d . . . . .
Dy1 Dy 0.31121(2) 0.51124(2) 0.59617(2) 0.03099(6) Uani 1 1 d . . . . .
Dy2 Dy 0.34985(2) 0.58199(2) 0.48345(2) 0.03208(7) Uani 1 1 d . . . . .
O3 O 0.49682(18) 0.39928(13) 0.51718(10) 0.0295(6) Uani 1 1 d . . . . .
O6 O 0.24030(19) 0.53489(16) 0.52223(11) 0.0371(7) Uani 1 1 d . . . . .
O2 O 0.40620(19) 0.48035(13) 0.49292(10) 0.0322(6) Uani 1 1 d . . . . .
O7 O 0.2045(2) 0.42531(15) 0.55793(12) 0.0407(7) Uani 1 1 d . . . . .
O4 O 0.3869(2) 0.58458(14) 0.56107(11) 0.0348(7) Uani 1 1 d . . . . .
O8 O 0.6168(2) 0.39086(15) 0.59276(10) 0.0372(7) Uani 1 1 d . . . . .
O11 O 0.1667(2) 0.52798(15) 0.62221(11) 0.0395(7) Uani 1 1 d . . . . .
O9 O 0.7089(2) 0.49509(15) 0.58570(12) 0.0415(7) Uani 1 1 d . . . . .
O16 O 0.3527(2) 0.31187(15) 0.53058(12) 0.0430(8) Uani 1 1 d . . . . .
O5 O 0.4572(2) 0.54184(16) 0.64469(11) 0.0421(7) Uani 1 1 d . . . . .
O17 O 0.3845(2) 0.24238(15) 0.58806(12) 0.0454(8) Uani 1 1 d . . . . .
O1 O 0.41050(19) 0.44015(14) 0.56534(10) 0.0332(6) Uani 1 1 d . . . . .
O14 O 0.3230(2) 0.44166(15) 0.65773(11) 0.0409(7) Uani 1 1 d . . . . .
O15 O 0.4122(2) 0.35855(17) 0.64758(12) 0.0479(8) Uani 1 1 d . . . . .
O13 O 0.4535(2) 0.74041(15) 0.45655(12) 0.0432(8) Uani 1 1 d . . . . .
O12 O 0.3590(3) 0.68913(16) 0.49684(14) 0.0575(10) Uani 1 1 d . . . . .
O10 O 0.2734(2) 0.59960(17) 0.64190(15) 0.0585(10) Uani 1 1 d . . . . .
N5 N 0.3314(3) 0.35849(19) 0.70739(14) 0.0427(9) Uani 1 1 d . . . . .
C11 C 0.1696(3) 0.5034(2) 0.50093(17) 0.0418(11) Uani 1 1 d . . . . .
N6 N 0.2744(3) 0.21946(19) 0.52860(14) 0.0441(9) Uani 1 1 d . . . . .
N1 N 0.1991(3) 0.6238(2) 0.44758(16) 0.0519(11) Uani 1 1 d . . . . .
C6 C 0.1151(3) 0.5284(3) 0.46260(18) 0.0517(13) Uani 1 1 d . . . . .
C1 C 0.4373(3) 0.4422(2) 0.52438(15) 0.0311(9) Uani 1 1 d . . . . .
N2 N 0.5802(3) 0.2843(2) 0.64837(14) 0.0440(9) Uani 1 1 d . . . . .
C10 C 0.1485(3) 0.4429(3) 0.51867(17) 0.0429(11) Uani 1 1 d . . . . .
C21 C 0.7371(3) 0.5609(2) 0.5847(2) 0.0500(12) Uani 1 1 d . . . . .
H21A H 0.802669 0.562881 0.589005 0.075 Uiso 1 1 calc R U . . .
H21B H 0.713771 0.584478 0.609727 0.075 Uiso 1 1 calc R U . . .
H21C H 0.714142 0.579895 0.554817 0.075 Uiso 1 1 calc R U . . .
C38 C 0.4040(3) 0.7369(2) 0.48828(16) 0.0397(10) Uani 1 1 d . . . . .
C12 C 0.1824(4) 0.3667(2) 0.5799(2) 0.0511(13) Uani 1 1 d . . . . .
H12A H 0.227231 0.358097 0.606661 0.077 Uiso 1 1 calc R U . . .
H12B H 0.181802 0.331385 0.557743 0.077 Uiso 1 1 calc R U . . .
H12C H 0.123232 0.370654 0.590337 0.077 Uiso 1 1 calc R U . . .
C5 C 0.1272(4) 0.5909(3) 0.44369(19) 0.0569(15) Uani 1 1 d . . . . .
H5 H 0.076071 0.609666 0.426433 0.068 Uiso 1 1 calc R U . . .
C68 C 0.3392(3) 0.2586(2) 0.55005(18) 0.0422(11) Uani 1 1 d . . . . .
C20 C 0.6737(3) 0.4072(2) 0.62983(16) 0.0397(10) Uani 1 1 d . . . . .
C19 C 0.7239(3) 0.4641(3) 0.62761(17) 0.0439(11) Uani 1 1 d . . . . .
C53 C 0.3569(3) 0.3877(2) 0.66866(16) 0.0389(10) Uani 1 1 d . . . . .
C2 C 0.4583(3) 0.6183(2) 0.58580(17) 0.0445(11) Uani 1 1 d . . . . .
H2A H 0.434622 0.652102 0.604724 0.053 Uiso 1 1 calc R U . . .
H2B H 0.494671 0.638864 0.563876 0.053 Uiso 1 1 calc R U . . .
C62 C 0.1781(3) 0.3730(2) 0.72881(17) 0.0454(11) Uani 1 1 d . . . . .
C8 C 0.0232(4) 0.4332(4) 0.4594(2) 0.0689(19) Uani 1 1 d . . . . .
H8 H -0.025983 0.409165 0.444885 0.083 Uiso 1 1 calc R U . . .
C7 C 0.0406(3) 0.4929(3) 0.4426(2) 0.0597(16) Uani 1 1 d . . . . .
H7 H 0.002025 0.510188 0.417358 0.072 Uiso 1 1 calc R U . . .
C23 C 0.1957(3) 0.5771(2) 0.6453(2) 0.0472(12) Uani 1 1 d . . . . .
C15 C 0.6867(3) 0.3702(3) 0.67061(17) 0.0485(12) Uani 1 1 d . . . . .
C61 C 0.2751(3) 0.3914(3) 0.73752(17) 0.0453(11) Uani 1 1 d . . . . .
H61A H 0.280360 0.438061 0.732969 0.054 Uiso 1 1 calc R U . . .
H61B H 0.297918 0.381867 0.770220 0.054 Uiso 1 1 calc R U . . .
C67 C 0.1196(4) 0.4038(3) 0.69464(19) 0.0497(12) Uani 1 1 d . . . . .
H67 H 0.141773 0.436531 0.676526 0.060 Uiso 1 1 calc R U . . .
C3 C 0.5152(3) 0.5731(3) 0.61657(18) 0.0459(12) Uani 1 1 d . . . . .
H3A H 0.543711 0.541484 0.597786 0.055 Uiso 1 1 calc R U . . .
H3B H 0.562702 0.596682 0.636205 0.055 Uiso 1 1 calc R U . . .
C14 C 0.6449(3) 0.3090(3) 0.67539(17) 0.0488(12) Uani 1 1 d . . . . .
H14 H 0.667955 0.284152 0.701516 0.059 Uiso 1 1 calc R U . . .
C75 C 0.3436(4) 0.2513(3) 0.4315(2) 0.0658(16) Uani 1 1 d . . . . .
H75 H 0.364376 0.287304 0.449699 0.079 Uiso 1 1 calc R U . . .
C18 C 0.7834(4) 0.4846(3) 0.6650(2) 0.0570(15) Uani 1 1 d . . . . .
H18 H 0.815322 0.523468 0.663096 0.068 Uiso 1 1 calc R U . . .
C70 C 0.2700(4) 0.2167(3) 0.44290(19) 0.0504(12) Uani 1 1 d . . . . .
C69 C 0.2247(3) 0.2373(2) 0.48401(18) 0.0462(11) Uani 1 1 d . . . . .
H69A H 0.217091 0.284273 0.483037 0.055 Uiso 1 1 calc R U . . .
H69B H 0.164402 0.217844 0.481479 0.055 Uiso 1 1 calc R U . . .
C9 C 0.0777(4) 0.4076(3) 0.4978(2) 0.0589(15) Uani 1 1 d . . . . .
H9 H 0.065718 0.366383 0.509225 0.071 Uiso 1 1 calc R U . . .
C16 C 0.7489(4) 0.3930(4) 0.70805(19) 0.0640(16) Uani 1 1 d . . . . .
H16 H 0.757902 0.368964 0.735938 0.077 Uiso 1 1 calc R U . . .
C54 C 0.3566(4) 0.2916(3) 0.7172(2) 0.0563(14) Uani 1 1 d . . . . .
H54A H 0.365347 0.270432 0.687688 0.068 Uiso 1 1 calc R U . . .
H54B H 0.306226 0.269902 0.729617 0.068 Uiso 1 1 calc R U . . .
C4 C 0.5047(5) 0.5076(3) 0.6823(2) 0.0723(19) Uani 1 1 d . . . . .
H4A H 0.462758 0.492893 0.703246 0.108 Uiso 1 1 calc R U . . .
H4B H 0.549563 0.535654 0.699281 0.108 Uiso 1 1 calc R U . . .
H4C H 0.534646 0.470682 0.670362 0.108 Uiso 1 1 calc R U . . .
C71 C 0.2401(5) 0.1643(3) 0.4163(2) 0.0702(18) Uani 1 1 d . . . . .
H71 H 0.189018 0.141292 0.423137 0.084 Uiso 1 1 calc R U . . .
C17 C 0.7959(4) 0.4482(4) 0.7051(2) 0.0704(18) Uani 1 1 d . . . . .
H17 H 0.837274 0.461712 0.730628 0.085 Uiso 1 1 calc R U . . .
C22 C 0.5537(4) 0.2193(3) 0.6590(2) 0.0602(15) Uani 1 1 d . . . . .
H22A H 0.489470 0.218274 0.661570 0.090 Uiso 1 1 calc R U . . .
H22B H 0.587265 0.205545 0.688398 0.090 Uiso 1 1 calc R U . . .
H22C H 0.566755 0.190431 0.634163 0.090 Uiso 1 1 calc R U . . .
C63 C 0.1428(4) 0.3248(3) 0.7543(2) 0.0602(15) Uani 1 1 d . . . . .
H63 H 0.181055 0.303581 0.777919 0.072 Uiso 1 1 calc R U . . .
C13 C 0.1942(5) 0.6877(3) 0.4265(3) 0.077(2) Uani 1 1 d . . . . .
H13A H 0.187476 0.719783 0.450384 0.116 Uiso 1 1 calc R U . . .
H13B H 0.142749 0.689817 0.402378 0.116 Uiso 1 1 calc R U . . .
H13C H 0.249282 0.696139 0.412783 0.116 Uiso 1 1 calc R U . . .
C74 C 0.3866(5) 0.2337(4) 0.3940(2) 0.078(2) Uani 1 1 d . . . . .
H74 H 0.435642 0.258147 0.386092 0.094 Uiso 1 1 calc R U . . .
C65 C -0.0024(4) 0.3382(3) 0.7124(3) 0.0712(18) Uani 1 1 d . . . . .
H65 H -0.063550 0.326169 0.706568 0.085 Uiso 1 1 calc R U . . .
C64 C 0.0545(4) 0.3071(3) 0.7463(3) 0.0738(19) Uani 1 1 d . . . . .
H64 H 0.032508 0.273649 0.763884 0.089 Uiso 1 1 calc R U . . .
C72 C 0.2857(7) 0.1452(4) 0.3789(2) 0.091(3) Uani 1 1 d . . . . .
H72 H 0.266691 0.108338 0.361217 0.109 Uiso 1 1 calc R U . . .
C73 C 0.3580(6) 0.1804(4) 0.3681(3) 0.085(2) Uani 1 1 d . . . . .
H73 H 0.388354 0.167912 0.342830 0.101 Uiso 1 1 calc R U . . .
C66 C 0.0307(4) 0.3876(3) 0.6869(2) 0.0609(15) Uani 1 1 d . . . . .
H66 H -0.008471 0.409810 0.664207 0.073 Uiso 1 1 calc R U . . .
C76 C 0.2527(4) 0.1596(2) 0.5501(2) 0.0582(15) Uani 1 1 d D . . . .
H76A H 0.229905 0.129812 0.524924 0.070 Uiso 0.48(2) 1 calc R U P A 1
H76B H 0.309323 0.141333 0.565574 0.070 Uiso 0.48(2) 1 calc R U P A 1
H76C H 0.305609 0.143938 0.570636 0.070 Uiso 0.52(2) 1 calc R U P A 2
H76D H 0.236280 0.127019 0.525857 0.070 Uiso 0.52(2) 1 calc R U P A 2
C55 C 0.4395(5) 0.2825(3) 0.7508(2) 0.0670(14) Uani 1 1 d . . . . .
C56 C 0.5012(5) 0.3288(4) 0.7619(2) 0.0764(16) Uani 1 1 d . . . . .
H56 H 0.491032 0.370336 0.749183 0.092 Uiso 1 1 calc R U . . .
C58 C 0.5952(6) 0.2553(5) 0.8092(3) 0.106(2) Uani 1 1 d . . . . .
H58 H 0.648617 0.246208 0.829098 0.127 Uiso 1 1 calc R U . . .
C60 C 0.4581(6) 0.2212(4) 0.7693(2) 0.0903(19) Uani 1 1 d . . . . .
H60 H 0.416347 0.187600 0.761769 0.108 Uiso 1 1 calc R U . . .
C57 C 0.5798(6) 0.3166(5) 0.7917(3) 0.102(2) Uani 1 1 d . . . . .
H57 H 0.621891 0.349788 0.799848 0.123 Uiso 1 1 calc R U . . .
C59 C 0.5352(7) 0.2092(6) 0.7980(3) 0.117(3) Uani 1 1 d . . . . .
H59 H 0.546281 0.167486 0.810182 0.141 Uiso 1 1 calc R U . . .
N4 N 0.3990(3) 0.7901(2) 0.51530(16) 0.0527(11) Uani 1 1 d D . . . .
N3 N 0.1425(3) 0.6067(2) 0.67342(19) 0.0598(13) Uani 1 1 d D . . . .
C32A C -0.0136(6) 0.6241(6) 0.6802(4) 0.060(4) Uani 0.531(16) 1 d G . P B 1
C37A C -0.0222(7) 0.6654(6) 0.6425(4) 0.070(4) Uani 0.531(16) 1 d G . P B 1
H37A H 0.024140 0.667969 0.623175 0.084 Uiso 0.531(16) 1 calc R U P B 1
C36A C -0.0985(8) 0.7028(5) 0.6330(3) 0.078(4) Uani 0.531(16) 1 d G . P B 1
H36A H -0.104394 0.730931 0.607152 0.093 Uiso 0.531(16) 1 calc R U P B 1
C35A C -0.1663(5) 0.6989(5) 0.6612(4) 0.067(3) Uani 0.531(16) 1 d G . P B 1
H35A H -0.218490 0.724503 0.654705 0.080 Uiso 0.531(16) 1 calc R U P B 1
C34A C -0.1577(5) 0.6577(5) 0.6990(5) 0.070(3) Uani 0.531(16) 1 d G . P B 1
H34A H -0.204052 0.655113 0.718281 0.084 Uiso 0.531(16) 1 calc R U P B 1
C33A C -0.0814(6) 0.6203(5) 0.7085(4) 0.061(3) Uani 0.531(16) 1 d G . P B 1
H33A H -0.075518 0.592151 0.734305 0.074 Uiso 0.531(16) 1 calc R U P B 1
C31A C 0.0594(13) 0.577(2) 0.683(2) 0.045(3) Uani 0.531(16) 1 d D . P B 1
H31A H 0.067856 0.557209 0.713984 0.054 Uiso 0.531(16) 1 calc R U P B 1
H31B H 0.043036 0.542476 0.659823 0.054 Uiso 0.531(16) 1 calc R U P B 1
C24A C 0.1792(9) 0.6592(4) 0.7053(4) 0.057(4) Uani 0.676(18) 1 d D . P B 1
H24A H 0.234745 0.674752 0.694115 0.068 Uiso 0.676(18) 1 calc R U P B 1
H24B H 0.135698 0.694900 0.701615 0.068 Uiso 0.676(18) 1 calc R U P B 1
C77A C 0.1887(8) 0.1596(8) 0.5838(5) 0.089(6) Uani 0.48(2) 1 d DG . P A 1
C78A C 0.1824(8) 0.2096(7) 0.6147(6) 0.072(5) Uani 0.48(2) 1 d G . P A 1
H78A H 0.223214 0.244294 0.615658 0.086 Uiso 0.48(2) 1 calc R U P A 1
C79A C 0.1165(9) 0.2087(8) 0.6441(5) 0.096(6) Uani 0.48(2) 1 d G . P A 1
H79A H 0.112216 0.242851 0.665241 0.115 Uiso 0.48(2) 1 calc R U P A 1
C80A C 0.0568(7) 0.1579(10) 0.6427(4) 0.107(6) Uani 0.48(2) 1 d G . P A 1
H80A H 0.011735 0.157305 0.662788 0.128 Uiso 0.48(2) 1 calc R U P A 1
C81A C 0.0630(11) 0.1079(10) 0.6117(5) 0.125(7) Uani 0.48(2) 1 d G . P A 1
H81A H 0.022251 0.073201 0.610752 0.150 Uiso 0.48(2) 1 calc R U P A 1
C82A C 0.1290(11) 0.1088(8) 0.5823(4) 0.096(6) Uani 0.48(2) 1 d G . P A 1
H82A H 0.133249 0.074643 0.561169 0.115 Uiso 0.48(2) 1 calc R U P A 1
C39A C 0.3619(8) 0.7908(6) 0.5590(4) 0.050(3) Uani 0.551(11) 1 d D . P C 1
H39A H 0.373262 0.832832 0.574142 0.060 Uiso 0.551(11) 1 calc R U P C 1
H39B H 0.391466 0.757620 0.579792 0.060 Uiso 0.551(11) 1 calc R U P C 1
C25A C 0.2002(6) 0.6465(5) 0.7557(2) 0.066(3) Uani 0.676(18) 1 d G . P B 1
C30A C 0.1674(7) 0.6871(5) 0.7874(3) 0.079(3) Uani 0.676(18) 1 d G . P B 1
H30A H 0.133106 0.723517 0.776885 0.095 Uiso 0.676(18) 1 calc R U P B 1
C29A C 0.1849(7) 0.6745(6) 0.8346(3) 0.100(4) Uani 0.676(18) 1 d G . P B 1
H29A H 0.162540 0.702240 0.856326 0.120 Uiso 0.676(18) 1 calc R U P B 1
C28A C 0.2351(9) 0.6212(6) 0.8501(3) 0.121(5) Uani 0.676(18) 1 d G . P B 1
H28A H 0.247078 0.612583 0.882327 0.145 Uiso 0.676(18) 1 calc R U P B 1
C27A C 0.2679(10) 0.5806(5) 0.8183(4) 0.153(9) Uani 0.676(18) 1 d G . P B 1
H27A H 0.302181 0.544201 0.828887 0.184 Uiso 0.676(18) 1 calc R U P B 1
C26A C 0.2504(8) 0.5932(5) 0.7711(3) 0.104(5) Uani 0.676(18) 1 d G . P B 1
H26A H 0.272748 0.565477 0.749446 0.125 Uiso 0.676(18) 1 calc R U P B 1
C40A C 0.2636(5) 0.7785(4) 0.5509(3) 0.057(3) Uani 0.551(11) 1 d DG . P C 1
C45A C 0.2055(6) 0.8238(4) 0.5290(5) 0.091(5) Uani 0.551(11) 1 d G . P C 1
H45A H 0.228447 0.862512 0.518175 0.110 Uiso 0.551(11) 1 calc R U P C 1
C44A C 0.1138(6) 0.8126(5) 0.5230(6) 0.134(8) Uani 0.551(11) 1 d G . P C 1
H44A H 0.074092 0.843541 0.508082 0.160 Uiso 0.551(11) 1 calc R U P C 1
C43A C 0.0802(5) 0.7559(6) 0.5389(6) 0.125(8) Uani 0.551(11) 1 d G . P C 1
H43A H 0.017551 0.748241 0.534805 0.150 Uiso 0.551(11) 1 calc R U P C 1
C42A C 0.1383(7) 0.7106(5) 0.5608(5) 0.135(7) Uani 0.551(11) 1 d G . P C 1
H42A H 0.115364 0.671911 0.571621 0.162 Uiso 0.551(11) 1 calc R U P C 1
C41A C 0.2300(6) 0.7219(4) 0.5668(4) 0.086(4) Uani 0.551(11) 1 d G . P C 1
H41A H 0.269719 0.690881 0.581713 0.103 Uiso 0.551(11) 1 calc R U P C 1
C31B C 0.0656(16) 0.574(3) 0.688(3) 0.045(3) Uani 0.469(16) 1 d D . P B 2
H31C H 0.081787 0.560168 0.720704 0.054 Uiso 0.469(16) 1 calc R U P B 2
H31D H 0.053416 0.535597 0.669022 0.054 Uiso 0.469(16) 1 calc R U P B 2
C32B C -0.0230(6) 0.6143(7) 0.6856(4) 0.041(3) Uani 0.469(16) 1 d G . P B 2
C37B C -0.0590(7) 0.6518(6) 0.6484(3) 0.055(3) Uani 0.469(16) 1 d G . P B 2
H37B H -0.028501 0.655584 0.621874 0.066 Uiso 0.469(16) 1 calc R U P B 2
C36B C -0.1395(7) 0.6836(5) 0.6501(4) 0.063(4) Uani 0.469(16) 1 d G . P B 2
H36B H -0.164050 0.709220 0.624688 0.076 Uiso 0.469(16) 1 calc R U P B 2
C35B C -0.1841(5) 0.6780(5) 0.6890(4) 0.056(3) Uani 0.469(16) 1 d G . P B 2
H35B H -0.239112 0.699789 0.690131 0.067 Uiso 0.469(16) 1 calc R U P B 2
C34B C -0.1482(6) 0.6406(6) 0.7262(4) 0.062(3) Uani 0.469(16) 1 d G . P B 2
H34B H -0.178626 0.636722 0.752760 0.074 Uiso 0.469(16) 1 calc R U P B 2
C33B C -0.0676(7) 0.6087(7) 0.7245(4) 0.060(3) Uani 0.469(16) 1 d G . P B 2
H33B H -0.043076 0.583086 0.749947 0.072 Uiso 0.469(16) 1 calc R U P B 2
C46A C 0.4630(8) 0.8419(5) 0.5194(7) 0.055(4) Uani 0.554(3) 1 d D . P C 1
H46A H 0.512173 0.831713 0.501023 0.066 Uiso 0.554(3) 1 calc R U P C 1
H46B H 0.489122 0.846193 0.552264 0.066 Uiso 0.554(3) 1 calc R U P C 1
C52A C 0.3957(6) 0.9185(4) 0.4568(2) 0.072(2) Uani 0.554(3) 1 d G . P C 1
H52A H 0.402037 0.887652 0.433504 0.087 Uiso 0.554(3) 1 calc R U P C 1
C51A C 0.3605(7) 0.9784(4) 0.4446(2) 0.088(3) Uani 0.554(3) 1 d G . P C 1
H51A H 0.342771 0.988440 0.412880 0.106 Uiso 0.554(3) 1 calc R U P C 1
C50A C 0.3511(7) 1.0236(3) 0.4787(3) 0.090(2) Uani 0.554(3) 1 d G . P C 1
H50A H 0.327057 1.064471 0.470286 0.108 Uiso 0.554(3) 1 calc R U P C 1
C49A C 0.3770(7) 1.0088(3) 0.5250(3) 0.088(2) Uani 0.554(3) 1 d G . P C 1
H49A H 0.370609 1.039716 0.548316 0.106 Uiso 0.554(3) 1 calc R U P C 1
C48A C 0.4122(6) 0.9490(4) 0.5373(2) 0.076(2) Uani 0.554(3) 1 d G . P C 1
H48A H 0.429875 0.938929 0.568940 0.091 Uiso 0.554(3) 1 calc R U P C 1
C47A C 0.4215(5) 0.9038(3) 0.5032(3) 0.0626(19) Uani 0.554(3) 1 d DG . P C 1
C46B C 0.4383(14) 0.8505(8) 0.5003(10) 0.055(4) Uani 0.245(3) 1 d D . P C 2
H46C H 0.479470 0.839049 0.477590 0.066 Uiso 0.245(3) 1 calc R U P C 2
H46D H 0.475643 0.868505 0.527690 0.066 Uiso 0.245(3) 1 calc R U P C 2
C47B C 0.3798(11) 0.9030(7) 0.4794(7) 0.0626(19) Uani 0.245(3) 1 d DG . P C 2
C52B C 0.3021(12) 0.8857(6) 0.4512(7) 0.072(2) Uani 0.245(3) 1 d G . P C 2
H52B H 0.288743 0.841878 0.445483 0.087 Uiso 0.245(3) 1 calc R U P C 2
C51B C 0.2440(11) 0.9325(9) 0.4315(7) 0.088(3) Uani 0.245(3) 1 d G . P C 2
H51B H 0.190853 0.920701 0.412225 0.106 Uiso 0.245(3) 1 calc R U P C 2
C50B C 0.2635(14) 0.9967(8) 0.4399(8) 0.090(2) Uani 0.245(3) 1 d G . P C 2
H50B H 0.223764 1.028677 0.426401 0.108 Uiso 0.245(3) 1 calc R U P C 2
C49B C 0.3412(15) 1.0140(6) 0.4681(9) 0.088(2) Uani 0.245(3) 1 d G . P C 2
H49B H 0.354564 1.057830 0.473836 0.106 Uiso 0.245(3) 1 calc R U P C 2
C48B C 0.3994(12) 0.9672(8) 0.4878(8) 0.076(2) Uani 0.218(15) 1 d G . P C 2
H48B H 0.452455 0.979008 0.507094 0.091 Uiso 0.218(15) 1 calc R U P C 2
C39B C 0.3302(10) 0.7797(9) 0.5490(5) 0.054(3) Uani 0.449(11) 1 d D . P C 2
H39C H 0.339059 0.813514 0.572959 0.065 Uiso 0.449(11) 1 calc R U P C 2
H39D H 0.343620 0.738374 0.564858 0.065 Uiso 0.449(11) 1 calc R U P C 2
C40B C 0.2308(5) 0.7796(5) 0.5290(4) 0.061(3) Uani 0.449(11) 1 d DG . P C 2
C45B C 0.1991(6) 0.8252(5) 0.4963(4) 0.069(4) Uani 0.449(11) 1 d G . P C 2
H45B H 0.239017 0.855738 0.486091 0.083 Uiso 0.449(11) 1 calc R U P C 2
C44B C 0.1091(7) 0.8261(5) 0.4784(4) 0.088(5) Uani 0.449(11) 1 d G . P C 2
H44B H 0.087435 0.857257 0.456053 0.106 Uiso 0.449(11) 1 calc R U P C 2
C43B C 0.0507(5) 0.7814(6) 0.4933(5) 0.085(4) Uani 0.449(11) 1 d G . P C 2
H43B H -0.010867 0.782004 0.481137 0.102 Uiso 0.449(11) 1 calc R U P C 2
C42B C 0.0823(7) 0.7358(6) 0.5261(5) 0.090(5) Uani 0.449(11) 1 d G . P C 2
H42B H 0.042411 0.705230 0.536260 0.108 Uiso 0.449(11) 1 calc R U P C 2
C41B C 0.1724(8) 0.7349(5) 0.5439(4) 0.080(4) Uani 0.449(11) 1 d G . P C 2
H41B H 0.193994 0.703710 0.566298 0.096 Uiso 0.449(11) 1 calc R U P C 2
C77B C 0.1736(7) 0.1697(6) 0.5787(4) 0.057(3) Uani 0.52(2) 1 d DG . P A 2
C82B C 0.0868(9) 0.1484(11) 0.5652(6) 0.127(10) Uani 0.52(2) 1 d G . P A 2
H82B H 0.073773 0.123504 0.537930 0.152 Uiso 0.52(2) 1 calc R U P A 2
C81B C 0.0190(8) 0.1637(14) 0.5917(7) 0.25(2) Uani 0.52(2) 1 d G . P A 2
H81B H -0.040312 0.149130 0.582505 0.299 Uiso 0.52(2) 1 calc R U P A 2
C80B C 0.0381(8) 0.2001(11) 0.6317(6) 0.127(8) Uani 0.52(2) 1 d G . P A 2
H80B H -0.008262 0.210526 0.649770 0.152 Uiso 0.52(2) 1 calc R U P A 2
C79B C 0.1249(9) 0.2214(6) 0.6452(4) 0.089(5) Uani 0.52(2) 1 d G . P A 2
H79B H 0.137873 0.246297 0.672460 0.107 Uiso 0.52(2) 1 calc R U P A 2
C78B C 0.1926(7) 0.2061(6) 0.6187(4) 0.065(4) Uani 0.52(2) 1 d G . P A 2
H78B H 0.251959 0.220671 0.627885 0.078 Uiso 0.52(2) 1 calc R U P A 2
C24B C 0.167(3) 0.6706(12) 0.6948(16) 0.085(7) Uani 0.324(18) 1 d D . P B 2
H24C H 0.114496 0.698517 0.696076 0.102 Uiso 0.324(18) 1 calc R U P B 2
H24D H 0.212908 0.693051 0.679198 0.102 Uiso 0.324(18) 1 calc R U P B 2
C26B C 0.2767(15) 0.6030(10) 0.7474(8) 0.099(7) Uani 0.324(18) 1 d G . P B 2
H26B H 0.300439 0.587332 0.720830 0.118 Uiso 0.324(18) 1 calc R U P B 2
C25B C 0.2047(17) 0.6451(11) 0.7423(8) 0.088(6) Uani 0.324(18) 1 d G . P B 2
C30B C 0.1699(15) 0.6681(11) 0.7812(9) 0.093(7) Uani 0.324(18) 1 d G . P B 2
H30B H 0.120720 0.696818 0.777658 0.111 Uiso 0.324(18) 1 calc R U P B 2
C29B C 0.2071(16) 0.6489(13) 0.8252(8) 0.125(10) Uani 0.324(18) 1 d G . P B 2
H29B H 0.183279 0.664633 0.851743 0.150 Uiso 0.324(18) 1 calc R U P B 2
C28B C 0.2790(17) 0.6069(11) 0.8303(8) 0.118(10) Uani 0.324(18) 1 d G . P B 2
H28B H 0.304419 0.593798 0.860372 0.142 Uiso 0.324(18) 1 calc R U P B 2
C27B C 0.3138(15) 0.5839(9) 0.7914(10) 0.109(8) Uani 0.324(18) 1 d G . P B 2
H27B H 0.362999 0.555147 0.794916 0.131 Uiso 0.324(18) 1 calc R U P B 2
C301 C -0.0512(16) 0.9729(10) 0.6838(7) 0.079(6) Uani 0.305(2) 1 d D U P D -1
H30C H -0.036604 0.993203 0.714123 0.118 Uiso 0.305(2) 1 calc R U P D -1
H30D H -0.099847 0.942114 0.685136 0.118 Uiso 0.305(2) 1 calc R U P D -1
H30E H -0.069968 1.005502 0.660424 0.118 Uiso 0.305(2) 1 calc R U P D -1
C306 C 0.1876(9) 0.9397(10) 0.6512(6) 0.138(13) Uani 0.305(2) 1 d G U P D -1
H306 H 0.240783 0.963040 0.648490 0.165 Uiso 0.305(2) 1 calc R U P D -1
C307 C 0.1142(10) 0.9702(7) 0.6659(5) 0.070(5) Uani 0.305(2) 1 d DG U P D -1
H307 H 0.117162 1.014432 0.673238 0.085 Uiso 0.305(2) 1 calc R U P D -1
C302 C 0.0364(9) 0.9360(7) 0.6699(4) 0.073(6) Uani 0.305(2) 1 d G U P D -1
C303 C 0.0320(12) 0.8713(7) 0.6592(6) 0.104(8) Uani 0.305(2) 1 d DG U P D -1
H303 H -0.021143 0.847935 0.661945 0.125 Uiso 0.305(2) 1 calc R U P D -1
C304 C 0.1055(14) 0.8408(7) 0.6445(7) 0.109(10) Uani 0.305(2) 1 d G U P D -1
H304 H 0.102477 0.796542 0.637196 0.131 Uiso 0.305(2) 1 calc R U P D -1
C305 C 0.1833(12) 0.8750(10) 0.6405(7) 0.119(10) Uani 0.305(2) 1 d G U P D -1
H305 H 0.233441 0.854094 0.630469 0.143 Uiso 0.305(2) 1 calc R U P D -1
C308 C -0.100(2) 0.9859(12) 0.5525(12) 0.059(8) Uani 0.195(2) 1 d D U P E -1
H30F H -0.147762 0.959665 0.536577 0.088 Uiso 0.195(2) 1 calc R U P E -1
H30G H -0.123921 1.027038 0.561042 0.088 Uiso 0.195(2) 1 calc R U P E -1
H30H H -0.072603 0.963821 0.580538 0.088 Uiso 0.195(2) 1 calc R U P E -1
C311 C 0.1205(12) 0.9863(12) 0.5075(10) 0.091(12) Uani 0.195(2) 1 d G U P E -1
H311 H 0.180164 0.972695 0.517065 0.110 Uiso 0.195(2) 1 calc R U P E -1
C312 C 0.0991(15) 1.0157(11) 0.4647(9) 0.066(10) Uani 0.195(2) 1 d G U P E -1
H312 H 0.144065 1.022215 0.445016 0.079 Uiso 0.195(2) 1 calc R U P E -1
C313 C 0.0118(17) 1.0355(12) 0.4507(7) 0.096(12) Uani 0.195(2) 1 d G U P E -1
H313 H -0.002875 1.055623 0.421453 0.115 Uiso 0.195(2) 1 calc R U P E -1
C314 C -0.0541(13) 1.0259(11) 0.4795(7) 0.073(10) Uani 0.195(2) 1 d DG U P E -1
H314 H -0.113718 1.039513 0.469940 0.087 Uiso 0.195(2) 1 calc R U P E -1
C309 C -0.0326(13) 0.9965(9) 0.5223(6) 0.053(7) Uani 0.195(2) 1 d G U P E -1
C310 C 0.0547(14) 0.9767(11) 0.5363(7) 0.101(15) Uani 0.195(2) 1 d DG U P E -1
H310 H 0.069319 0.956583 0.565552 0.122 Uiso 0.195(2) 1 calc R U P E -1
C27 C 0.4650(17) 0.9440(11) 0.4113(7) 0.088(3) Uani 0.201(3) 1 d G . P C 3
H27 H 0.489561 0.941411 0.382836 0.106 Uiso 0.201(3) 1 calc R U P C 3
C26 C 0.4773(15) 0.8940(9) 0.4430(8) 0.072(2) Uani 0.201(3) 1 d G . P C 3
H26 H 0.510346 0.857317 0.436095 0.087 Uiso 0.201(3) 1 calc R U P C 3
C28 C 0.4414(16) 0.8978(9) 0.4846(7) 0.0626(19) Uani 0.201(3) 1 d DG . P C 3
C24 C 0.3931(16) 0.9515(11) 0.4947(7) 0.076(2) Uani 0.201(3) 1 d G . P C 3
H24 H 0.368513 0.954071 0.523162 0.091 Uiso 0.201(3) 1 calc R U P C 3
C25 C 0.3807(18) 1.0015(9) 0.4630(10) 0.088(2) Uani 0.201(3) 1 d G . P C 3
H25 H 0.347726 1.038165 0.469905 0.106 Uiso 0.201(3) 1 calc R U P C 3
C48C C 0.4167(19) 0.9977(10) 0.4214(9) 0.090(2) Uani 0.201(3) 1 d G . P C 3
H48C H 0.408250 1.031837 0.399742 0.108 Uiso 0.201(3) 1 calc R U P C 3
C46C C 0.4677(19) 0.8378(16) 0.510(2) 0.055(4) Uani 0.201(3) 1 d D . P C 3
H46E H 0.514500 0.817016 0.494160 0.066 Uiso 0.201(3) 1 calc R U P C 3
H46F H 0.495838 0.849754 0.541427 0.066 Uiso 0.201(3) 1 calc R U P C 3


_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
Dy3 O3 2.385(3) . ?
Dy3 O8 2.349(3) . ?
Dy3 O16 2.358(3) . ?
Dy3 O17 2.442(3) . ?
Dy3 O1 2.444(3) . ?
Dy3 O15 2.273(3) . ?
Dy3 O13 2.292(3) 3_666 ?
Dy3 N2 2.509(4) . ?
Dy1 O6 2.331(3) . ?
Dy1 O7 2.571(3) . ?
Dy1 O4 2.234(3) . ?
Dy1 O11 2.417(3) . ?
Dy1 O5 2.541(3) . ?
Dy1 O1 2.364(3) . ?
Dy1 O14 2.297(3) . ?
Dy1 O10 2.388(3) . ?
Dy2 O3 2.344(3) 3_666 ?
Dy2 O6 2.330(3) . ?
Dy2 O2 2.295(3) . ?
Dy2 O4 2.257(3) . ?
Dy2 O8 2.401(3) 3_666 ?
Dy2 O9 2.643(3) 3_666 ?
Dy2 O12 2.278(3) . ?
Dy2 N1 2.533(4) . ?
O3 C1 1.304(5) . ?
O6 C11 1.337(6) . ?
O2 C1 1.260(5) . ?
O7 C10 1.382(6) . ?
O7 C12 1.443(6) . ?
O4 C2 1.406(5) . ?
O8 C20 1.336(5) . ?
O11 C23 1.274(6) . ?
O9 C21 1.442(6) . ?
O9 C19 1.375(6) . ?
O16 C68 1.278(6) . ?
O5 C3 1.428(6) . ?
O5 C4 1.425(6) . ?
O17 C68 1.270(6) . ?
O1 C1 1.305(5) . ?
O14 C53 1.264(6) . ?
O15 C53 1.253(6) . ?
O13 C38 1.258(6) . ?
O12 C38 1.251(6) . ?
O10 C23 1.277(6) . ?
N5 C53 1.378(6) . ?
N5 C61 1.465(6) . ?
N5 C54 1.469(6) . ?
C11 C6 1.400(7) . ?
C11 C10 1.419(7) . ?
N6 C68 1.364(6) . ?
N6 C69 1.463(7) . ?
N6 C76 1.456(6) . ?
N1 C5 1.277(8) . ?
N1 C13 1.469(7) . ?
C6 C5 1.439(9) . ?
C6 C7 1.409(8) . ?
N2 C14 1.282(7) . ?
N2 C22 1.463(7) . ?
C10 C9 1.374(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C38 N4 1.370(6) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C5 H5 0.9500 . ?
C20 C19 1.415(7) . ?
C20 C15 1.410(7) . ?
C19 C18 1.387(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.496(7) . ?
C62 C61 1.502(7) . ?
C62 C67 1.401(7) . ?
C62 C63 1.396(7) . ?
C8 H8 0.9500 . ?
C8 C7 1.377(10) . ?
C8 C9 1.408(9) . ?
C7 H7 0.9500 . ?
C23 N3 1.365(6) . ?
C15 C14 1.441(8) . ?
C15 C16 1.428(7) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C67 H67 0.9500 . ?
C67 C66 1.372(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C14 H14 0.9500 . ?
C75 H75 0.9500 . ?
C75 C70 1.399(8) . ?
C75 C74 1.386(9) . ?
C18 H18 0.9500 . ?
C18 C17 1.388(9) . ?
C70 C69 1.511(7) . ?
C70 C71 1.384(8) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C9 H9 0.9500 . ?
C16 H16 0.9500 . ?
C16 C17 1.362(10) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.498(9) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C71 H71 0.9500 . ?
C71 C72 1.415(10) . ?
C17 H17 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C63 H63 0.9500 . ?
C63 C64 1.371(9) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C74 H74 0.9500 . ?
C74 C73 1.384(10) . ?
C65 H65 0.9500 . ?
C65 C64 1.385(9) . ?
C65 C66 1.399(9) . ?
C64 H64 0.9500 . ?
C72 H72 0.9500 . ?
C72 C73 1.383(11) . ?
C73 H73 0.9500 . ?
C66 H66 0.9500 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 H76C 0.9900 . ?
C76 H76D 0.9900 . ?
C76 C77A 1.456(11) . ?
C76 C77B 1.550(9) . ?
C55 C56 1.353(10) . ?
C55 C60 1.407(9) . ?
C56 H56 0.9500 . ?
C56 C57 1.400(10) . ?
C58 H58 0.9500 . ?
C58 C57 1.389(13) . ?
C58 C59 1.334(14) . ?
C60 H60 0.9500 . ?
C60 C59 1.366(12) . ?
C57 H57 0.9500 . ?
C59 H59 0.9500 . ?
N4 C39A 1.449(10) . ?
N4 C46A 1.446(10) . ?
N4 C46B 1.485(16) . ?
N4 C39B 1.529(13) . ?
N4 C46C 1.460(17) . ?
N3 C31A 1.456(12) . ?
N3 C24A 1.498(10) . ?
N3 C31B 1.453(13) . ?
N3 C24B 1.502(16) . ?
C32A C37A 1.3900 . ?
C32A C33A 1.3900 . ?
C32A C31A 1.47(4) . ?
C37A H37A 0.9500 . ?
C37A C36A 1.3900 . ?
C36A H36A 0.9500 . ?
C36A C35A 1.3900 . ?
C35A H35A 0.9500 . ?
C35A C34A 1.3900 . ?
C34A H34A 0.9500 . ?
C34A C33A 1.3900 . ?
C33A H33A 0.9500 . ?
C31A H31A 0.9900 . ?
C31A H31B 0.9900 . ?
C24A H24A 0.9900 . ?
C24A H24B 0.9900 . ?
C24A C25A 1.484(14) . ?
C77A C78A 1.3900 . ?
C77A C82A 1.3900 . ?
C78A H78A 0.9500 . ?
C78A C79A 1.3900 . ?
C79A H79A 0.9500 . ?
C79A C80A 1.3900 . ?
C80A H80A 0.9500 . ?
C80A C81A 1.3900 . ?
C81A H81A 0.9500 . ?
C81A C82A 1.3900 . ?
C82A H82A 0.9500 . ?
C39A H39A 0.9900 . ?
C39A H39B 0.9900 . ?
C39A C40A 1.492(12) . ?
C25A C30A 1.3900 . ?
C25A C26A 1.3900 . ?
C30A H30A 0.9500 . ?
C30A C29A 1.3900 . ?
C29A H29A 0.9500 . ?
C29A C28A 1.3900 . ?
C28A H28A 0.9500 . ?
C28A C27A 1.3900 . ?
C27A H27A 0.9500 . ?
C27A C26A 1.3900 . ?
C26A H26A 0.9500 . ?
C40A C45A 1.3900 . ?
C40A C41A 1.3900 . ?
C45A H45A 0.9500 . ?
C45A C44A 1.3900 . ?
C44A H44A 0.9500 . ?
C44A C43A 1.3900 . ?
C43A H43A 0.9500 . ?
C43A C42A 1.3900 . ?
C42A H42A 0.9500 . ?
C42A C41A 1.3900 . ?
C41A H41A 0.9500 . ?
C31B H31C 0.9900 . ?
C31B H31D 0.9900 . ?
C31B C32B 1.57(4) . ?
C32B C37B 1.3900 . ?
C32B C33B 1.3900 . ?
C37B H37B 0.9500 . ?
C37B C36B 1.3900 . ?
C36B H36B 0.9500 . ?
C36B C35B 1.3900 . ?
C35B H35B 0.9500 . ?
C35B C34B 1.3900 . ?
C34B H34B 0.9500 . ?
C34B C33B 1.3900 . ?
C33B H33B 0.9500 . ?
C46A H46A 0.9900 . ?
C46A H46B 0.9900 . ?
C46A C47A 1.490(11) . ?
C52A H52A 0.9500 . ?
C52A C51A 1.3900 . ?
C52A C47A 1.3900 . ?
C51A H51A 0.9500 . ?
C51A C50A 1.3900 . ?
C50A H50A 0.9500 . ?
C50A C49A 1.3900 . ?
C49A H49A 0.9500 . ?
C49A C48A 1.3900 . ?
C48A H48A 0.9500 . ?
C48A C47A 1.3900 . ?
C46B H46C 0.9900 . ?
C46B H46D 0.9900 . ?
C46B C47B 1.490(17) . ?
C47B C52B 1.3900 . ?
C47B C48B 1.3900 . ?
C52B H52B 0.9500 . ?
C52B C51B 1.3900 . ?
C51B H51B 0.9500 . ?
C51B C50B 1.3900 . ?
C50B H50B 0.9500 . ?
C50B C49B 1.3900 . ?
C49B H49B 0.9500 . ?
C49B C48B 1.3900 . ?
C48B H48B 0.9500 . ?
C39B H39C 0.9900 . ?
C39B H39D 0.9900 . ?
C39B C40B 1.537(15) . ?
C40B C45B 1.3900 . ?
C40B C41B 1.3900 . ?
C45B H45B 0.9500 . ?
C45B C44B 1.3900 . ?
C44B H44B 0.9500 . ?
C44B C43B 1.3900 . ?
C43B H43B 0.9500 . ?
C43B C42B 1.3900 . ?
C42B H42B 0.9500 . ?
C42B C41B 1.3900 . ?
C41B H41B 0.9500 . ?
C77B C82B 1.3900 . ?
C77B C78B 1.3900 . ?
C82B H82B 0.9500 . ?
C82B C81B 1.3900 . ?
C81B H81B 0.9500 . ?
C81B C80B 1.3900 . ?
C80B H80B 0.9500 . ?
C80B C79B 1.3900 . ?
C79B H79B 0.9500 . ?
C79B C78B 1.3900 . ?
C78B H78B 0.9500 . ?
C24B H24C 0.9900 . ?
C24B H24D 0.9900 . ?
C24B C25B 1.52(5) . ?
C26B H26B 0.9500 . ?
C26B C25B 1.3900 . ?
C26B C27B 1.3900 . ?
C25B C30B 1.3900 . ?
C30B H30B 0.9500 . ?
C30B C29B 1.3900 . ?
C29B H29B 0.9500 . ?
C29B C28B 1.3900 . ?
C28B H28B 0.9500 . ?
C28B C27B 1.3900 . ?
C27B H27B 0.9500 . ?
C301 H30C 0.9800 . ?
C301 H30D 0.9800 . ?
C301 H30E 0.9800 . ?
C301 C302 1.62(3) . ?
C306 H306 0.9500 . ?
C306 C307 1.3900 . ?
C306 C305 1.3900 . ?
C307 H307 0.9500 . ?
C307 C302 1.3900 . ?
C302 C303 1.3900 . ?
C303 H303 0.9500 . ?
C303 C304 1.3900 . ?
C304 H304 0.9500 . ?
C304 C305 1.3900 . ?
C305 H305 0.9500 . ?
C308 H30F 0.9800 . ?
C308 H30G 0.9800 . ?
C308 H30H 0.9800 . ?
C308 C309 1.43(4) . ?
C311 H311 0.9500 . ?
C311 C312 1.3900 . ?
C311 C310 1.3900 . ?
C312 H312 0.9500 . ?
C312 C313 1.3900 . ?
C313 H313 0.9500 . ?
C313 C314 1.3900 . ?
C314 H314 0.9500 . ?
C314 C309 1.3900 . ?
C309 C310 1.3900 . ?
C310 H310 0.9500 . ?
C27 H27 0.9500 . ?
C27 C26 1.3900 . ?
C27 C48C 1.3900 . ?
C26 H26 0.9500 . ?
C26 C28 1.3900 . ?
C28 C24 1.3900 . ?
C28 C46C 1.485(17) . ?
C24 H24 0.9500 . ?
C24 C25 1.3900 . ?
C25 H25 0.9500 . ?
C25 C48C 1.3900 . ?
C48C H48C 0.9500 . ?
C46C H46E 0.9900 . ?
C46C H46F 0.9900 . ?

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
O3 Dy3 O17 127.70(11) . . ?
O3 Dy3 O1 54.19(9) . . ?
O3 Dy3 N2 136.97(12) . . ?
O8 Dy3 O3 68.69(10) . . ?
O8 Dy3 O16 143.89(11) . . ?
O8 Dy3 O17 154.11(11) . . ?
O8 Dy3 O1 86.22(10) . . ?
O8 Dy3 N2 71.74(12) . . ?
O16 Dy3 O3 75.47(10) . . ?
O16 Dy3 O17 55.13(11) . . ?
O16 Dy3 O1 76.16(10) . . ?
O16 Dy3 N2 139.64(13) . . ?
O17 Dy3 O1 119.44(11) . . ?
O17 Dy3 N2 85.23(13) . . ?
O1 Dy3 N2 138.59(12) . . ?
O15 Dy3 O3 130.80(11) . . ?
O15 Dy3 O8 106.50(12) . . ?
O15 Dy3 O16 99.93(13) . . ?
O15 Dy3 O17 78.45(13) . . ?
O15 Dy3 O1 76.92(11) . . ?
O15 Dy3 O13 146.26(12) . 3_666 ?
O15 Dy3 N2 76.49(12) . . ?
O13 Dy3 O3 82.73(11) 3_666 . ?
O13 Dy3 O8 87.79(12) 3_666 . ?
O13 Dy3 O16 83.46(12) 3_666 . ?
O13 Dy3 O17 76.24(12) 3_666 . ?
O13 Dy3 O1 135.54(11) 3_666 . ?
O13 Dy3 N2 79.50(13) 3_666 . ?
O6 Dy1 O7 63.91(11) . . ?
O6 Dy1 O11 86.08(11) . . ?
O6 Dy1 O5 136.32(11) . . ?
O6 Dy1 O1 91.29(10) . . ?
O6 Dy1 O10 103.62(14) . . ?
O4 Dy1 O6 68.51(11) . . ?
O4 Dy1 O7 127.62(11) . . ?
O4 Dy1 O11 125.04(11) . . ?
O4 Dy1 O5 67.98(11) . . ?
O4 Dy1 O1 82.91(11) . . ?
O4 Dy1 O14 142.91(11) . . ?
O4 Dy1 O10 83.83(12) . . ?
O11 Dy1 O7 72.46(10) . . ?
O11 Dy1 O5 122.65(11) . . ?
O5 Dy1 O7 150.13(10) . . ?
O1 Dy1 O7 77.64(10) . . ?
O1 Dy1 O11 147.87(10) . . ?
O1 Dy1 O5 79.94(10) . . ?
O1 Dy1 O10 154.79(12) . . ?
O14 Dy1 O6 146.64(12) . . ?
O14 Dy1 O7 82.91(11) . . ?
O14 Dy1 O11 80.39(11) . . ?
O14 Dy1 O5 75.52(11) . . ?
O14 Dy1 O1 84.56(11) . . ?
O14 Dy1 O10 93.33(13) . . ?
O10 Dy1 O7 127.12(11) . . ?
O10 Dy1 O11 55.03(11) . . ?
O10 Dy1 O5 75.24(12) . . ?
O3 Dy2 Dy3 36.44(7) 3_666 3_666 ?
O3 Dy2 O8 68.49(10) 3_666 3_666 ?
O3 Dy2 O9 109.43(10) 3_666 3_666 ?
O3 Dy2 N1 140.51(13) 3_666 . ?
O6 Dy2 Dy3 177.18(7) . 3_666 ?
O6 Dy2 O3 146.30(10) . 3_666 ?
O6 Dy2 O8 142.12(10) . 3_666 ?
O6 Dy2 O9 85.41(11) . 3_666 ?
O6 Dy2 N1 72.15(13) . . ?
O2 Dy2 Dy3 102.43(7) . 3_666 ?
O2 Dy2 O3 78.83(10) . 3_666 ?
O2 Dy2 O6 79.80(11) . . ?
O2 Dy2 O8 102.33(11) . 3_666 ?
O2 Dy2 O9 66.97(10) . 3_666 ?
O2 Dy2 N1 131.98(14) . . ?
O4 Dy2 Dy3 113.73(7) . 3_666 ?
O4 Dy2 O3 83.29(10) . 3_666 ?
O4 Dy2 O6 68.14(10) . . ?
O4 Dy2 O2 82.00(11) . . ?
O4 Dy2 O8 149.68(10) . 3_666 ?
O4 Dy2 O9 142.46(10) . 3_666 ?
O4 Dy2 O12 78.65(13) . . ?
O4 Dy2 N1 120.03(13) . . ?
O8 Dy2 Dy3 35.96(7) 3_666 3_666 ?
O8 Dy2 O9 62.04(11) 3_666 3_666 ?
O8 Dy2 N1 79.52(12) 3_666 . ?
O9 Dy2 Dy3 93.86(7) 3_666 3_666 ?
O12 Dy2 Dy3 67.38(9) . 3_666 ?
O12 Dy2 O3 78.33(12) . 3_666 ?
O12 Dy2 O6 111.44(12) . . ?
O12 Dy2 O2 151.53(13) . . ?
O12 Dy2 O8 84.80(12) . 3_666 ?
O12 Dy2 O9 137.62(13) . 3_666 ?
O12 Dy2 N1 76.24(16) . . ?
N1 Dy2 Dy3 105.03(10) . 3_666 ?
N1 Dy2 O9 72.55(13) . 3_666 ?
Dy2 O3 Dy3 107.84(11) 3_666 . ?
C1 O3 Dy3 96.0(2) . . ?
C1 O3 Dy2 125.7(2) . 3_666 ?
Dy2 O6 Dy1 105.42(11) . . ?
C11 O6 Dy1 124.7(3) . . ?
C11 O6 Dy2 123.7(3) . . ?
C1 O2 Dy2 140.7(3) . . ?
C10 O7 Dy1 117.1(3) . . ?
C10 O7 C12 116.3(4) . . ?
C12 O7 Dy1 124.8(3) . . ?
Dy1 O4 Dy2 111.34(12) . . ?
C2 O4 Dy1 120.8(3) . . ?
C2 O4 Dy2 127.0(3) . . ?
Dy3 O8 Dy2 107.16(11) . 3_666 ?
C20 O8 Dy3 133.0(3) . . ?
C20 O8 Dy2 119.8(3) . 3_666 ?
C23 O11 Dy1 91.1(3) . . ?
C21 O9 Dy2 129.8(3) . 3_666 ?
C19 O9 Dy2 112.8(3) . 3_666 ?
C19 O9 C21 116.9(4) . . ?
C68 O16 Dy3 93.3(3) . . ?
C3 O5 Dy1 110.3(3) . . ?
C4 O5 Dy1 128.1(3) . . ?
C4 O5 C3 112.7(4) . . ?
C68 O17 Dy3 89.7(3) . . ?
Dy1 O1 Dy3 138.60(13) . . ?
C1 O1 Dy3 93.3(2) . . ?
C1 O1 Dy1 127.4(3) . . ?
C53 O14 Dy1 138.8(3) . . ?
C53 O15 Dy3 153.1(3) . . ?
C38 O13 Dy3 132.3(3) . 3_666 ?
C38 O12 Dy2 141.0(3) . . ?
C23 O10 Dy1 92.3(3) . . ?
C53 N5 C61 121.4(4) . . ?
C53 N5 C54 119.4(4) . . ?
C61 N5 C54 119.1(4) . . ?
O6 C11 C6 122.5(5) . . ?
O6 C11 C10 118.2(4) . . ?
C6 C11 C10 119.2(5) . . ?
C68 N6 C69 120.6(4) . . ?
C68 N6 C76 120.5(5) . . ?
C76 N6 C69 118.9(4) . . ?
C5 N1 Dy2 123.8(4) . . ?
C5 N1 C13 117.2(5) . . ?
C13 N1 Dy2 118.8(4) . . ?
C11 C6 C5 123.7(5) . . ?
C11 C6 C7 119.2(6) . . ?
C7 C6 C5 117.0(5) . . ?
O3 C1 O1 114.9(4) . . ?
O2 C1 O3 121.4(4) . . ?
O2 C1 O1 123.6(4) . . ?
C14 N2 Dy3 128.8(4) . . ?
C14 N2 C22 116.9(4) . . ?
C22 N2 Dy3 114.0(3) . . ?
O7 C10 C11 113.4(4) . . ?
C9 C10 O7 125.5(5) . . ?
C9 C10 C11 121.0(5) . . ?
O9 C21 H21A 109.5 . . ?
O9 C21 H21B 109.5 . . ?
O9 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O13 C38 N4 117.0(5) . . ?
O12 C38 O13 125.2(4) . . ?
O12 C38 N4 117.8(4) . . ?
O7 C12 H12A 109.5 . . ?
O7 C12 H12B 109.5 . . ?
O7 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C5 C6 127.1(5) . . ?
N1 C5 H5 116.4 . . ?
C6 C5 H5 116.4 . . ?
O16 C68 N6 117.8(5) . . ?
O17 C68 O16 121.4(4) . . ?
O17 C68 N6 120.8(4) . . ?
O8 C20 C19 118.1(4) . . ?
O8 C20 C15 123.0(5) . . ?
C15 C20 C19 118.9(4) . . ?
O9 C19 C20 114.1(4) . . ?
O9 C19 C18 124.5(5) . . ?
C18 C19 C20 121.4(5) . . ?
O14 C53 N5 117.2(4) . . ?
O15 C53 O14 125.8(4) . . ?
O15 C53 N5 117.0(4) . . ?
O4 C2 H2A 109.8 . . ?
O4 C2 H2B 109.8 . . ?
O4 C2 C3 109.4(4) . . ?
H2A C2 H2B 108.2 . . ?
C3 C2 H2A 109.8 . . ?
C3 C2 H2B 109.8 . . ?
C67 C62 C61 120.9(5) . . ?
C63 C62 C61 121.6(5) . . ?
C63 C62 C67 117.5(5) . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.6(5) . . ?
C9 C8 H8 119.7 . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.6(6) . . ?
C8 C7 H7 119.7 . . ?
O11 C23 O10 121.0(4) . . ?
O11 C23 N3 119.6(4) . . ?
O10 C23 N3 119.3(5) . . ?
C20 C15 C14 123.7(5) . . ?
C20 C15 C16 117.7(5) . . ?
C16 C15 C14 118.5(5) . . ?
N5 C61 C62 113.6(4) . . ?
N5 C61 H61A 108.8 . . ?
N5 C61 H61B 108.8 . . ?
C62 C61 H61A 108.8 . . ?
C62 C61 H61B 108.8 . . ?
H61A C61 H61B 107.7 . . ?
C62 C67 H67 119.4 . . ?
C66 C67 C62 121.1(5) . . ?
C66 C67 H67 119.4 . . ?
O5 C3 C2 106.7(4) . . ?
O5 C3 H3A 110.4 . . ?
O5 C3 H3B 110.4 . . ?
C2 C3 H3A 110.4 . . ?
C2 C3 H3B 110.4 . . ?
H3A C3 H3B 108.6 . . ?
N2 C14 C15 127.3(5) . . ?
N2 C14 H14 116.3 . . ?
C15 C14 H14 116.3 . . ?
C70 C75 H75 119.7 . . ?
C74 C75 H75 119.7 . . ?
C74 C75 C70 120.6(6) . . ?
C19 C18 H18 120.2 . . ?
C19 C18 C17 119.7(6) . . ?
C17 C18 H18 120.2 . . ?
C75 C70 C69 119.2(5) . . ?
C71 C70 C75 119.4(6) . . ?
C71 C70 C69 121.4(5) . . ?
N6 C69 C70 113.4(4) . . ?
N6 C69 H69A 108.9 . . ?
N6 C69 H69B 108.9 . . ?
C70 C69 H69A 108.9 . . ?
C70 C69 H69B 108.9 . . ?
H69A C69 H69B 107.7 . . ?
C10 C9 C8 119.3(6) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C15 C16 H16 118.9 . . ?
C17 C16 C15 122.2(6) . . ?
C17 C16 H16 118.9 . . ?
N5 C54 H54A 108.5 . . ?
N5 C54 H54B 108.5 . . ?
N5 C54 C55 115.0(5) . . ?
H54A C54 H54B 107.5 . . ?
C55 C54 H54A 108.5 . . ?
C55 C54 H54B 108.5 . . ?
O5 C4 H4A 109.5 . . ?
O5 C4 H4B 109.5 . . ?
O5 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C70 C71 H71 120.0 . . ?
C70 C71 C72 120.0(7) . . ?
C72 C71 H71 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 120.1(5) . . ?
C16 C17 H17 120.0 . . ?
N2 C22 H22A 109.5 . . ?
N2 C22 H22B 109.5 . . ?
N2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C62 C63 H63 118.9 . . ?
C64 C63 C62 122.1(6) . . ?
C64 C63 H63 118.9 . . ?
N1 C13 H13A 109.5 . . ?
N1 C13 H13B 109.5 . . ?
N1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C75 C74 H74 120.1 . . ?
C73 C74 C75 119.9(7) . . ?
C73 C74 H74 120.1 . . ?
C64 C65 H65 120.1 . . ?
C64 C65 C66 119.7(6) . . ?
C66 C65 H65 120.1 . . ?
C63 C64 C65 119.5(6) . . ?
C63 C64 H64 120.2 . . ?
C65 C64 H64 120.2 . . ?
C71 C72 H72 120.2 . . ?
C73 C72 C71 119.5(7) . . ?
C73 C72 H72 120.2 . . ?
C74 C73 H73 119.7 . . ?
C72 C73 C74 120.5(7) . . ?
C72 C73 H73 119.7 . . ?
C67 C66 C65 120.0(6) . . ?
C67 C66 H66 120.0 . . ?
C65 C66 H66 120.0 . . ?
N6 C76 H76A 107.5 . . ?
N6 C76 H76B 107.5 . . ?
N6 C76 H76C 109.7 . . ?
N6 C76 H76D 109.7 . . ?
N6 C76 C77B 110.0(6) . . ?
H76A C76 H76B 107.0 . . ?
H76C C76 H76D 108.2 . . ?
C77A C76 N6 119.4(8) . . ?
C77A C76 H76A 107.5 . . ?
C77A C76 H76B 107.5 . . ?
C77B C76 H76C 109.7 . . ?
C77B C76 H76D 109.7 . . ?
C56 C55 C54 123.8(6) . . ?
C56 C55 C60 117.7(7) . . ?
C60 C55 C54 118.4(7) . . ?
C55 C56 H56 119.4 . . ?
C55 C56 C57 121.3(8) . . ?
C57 C56 H56 119.4 . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
C59 C58 C57 120.1(9) . . ?
C55 C60 H60 119.5 . . ?
C59 C60 C55 120.9(10) . . ?
C59 C60 H60 119.5 . . ?
C56 C57 H57 120.5 . . ?
C58 C57 C56 119.0(10) . . ?
C58 C57 H57 120.5 . . ?
C58 C59 C60 121.0(9) . . ?
C58 C59 H59 119.5 . . ?
C60 C59 H59 119.5 . . ?
C38 N4 C39A 124.4(7) . . ?
C38 N4 C46A 125.0(9) . . ?
C38 N4 C46B 118.1(12) . . ?
C38 N4 C39B 110.1(7) . . ?
C38 N4 C46C 114(3) . . ?
C46A N4 C39A 104.2(11) . . ?
C46B N4 C39B 129.5(13) . . ?
C23 N3 C31A 120(3) . . ?
C23 N3 C24A 120.4(6) . . ?
C23 N3 C31B 121(3) . . ?
C23 N3 C24B 121(2) . . ?
C31A N3 C24A 117(3) . . ?
C31B N3 C24B 117(4) . . ?
C37A C32A C33A 120.0 . . ?
C37A C32A C31A 116.8(18) . . ?
C33A C32A C31A 122.0(14) . . ?
C32A C37A H37A 120.0 . . ?
C36A C37A C32A 120.0 . . ?
C36A C37A H37A 120.0 . . ?
C37A C36A H36A 120.0 . . ?
C37A C36A C35A 120.0 . . ?
C35A C36A H36A 120.0 . . ?
C36A C35A H35A 120.0 . . ?
C36A C35A C34A 120.0 . . ?
C34A C35A H35A 120.0 . . ?
C35A C34A H34A 120.0 . . ?
C33A C34A C35A 120.0 . . ?
C33A C34A H34A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C34A C33A C32A 120.0 . . ?
C34A C33A H33A 120.0 . . ?
N3 C31A C32A 111(2) . . ?
N3 C31A H31A 109.5 . . ?
N3 C31A H31B 109.5 . . ?
C32A C31A H31A 109.5 . . ?
C32A C31A H31B 109.5 . . ?
H31A C31A H31B 108.1 . . ?
N3 C24A H24A 107.4 . . ?
N3 C24A H24B 107.4 . . ?
H24A C24A H24B 106.9 . . ?
C25A C24A N3 119.7(8) . . ?
C25A C24A H24A 107.4 . . ?
C25A C24A H24B 107.4 . . ?
C78A C77A C76 122.6(9) . . ?
C78A C77A C82A 120.0 . . ?
C82A C77A C76 117.3(9) . . ?
C77A C78A H78A 120.0 . . ?
C77A C78A C79A 120.0 . . ?
C79A C78A H78A 120.0 . . ?
C78A C79A H79A 120.0 . . ?
C78A C79A C80A 120.0 . . ?
C80A C79A H79A 120.0 . . ?
C79A C80A H80A 120.0 . . ?
C79A C80A C81A 120.0 . . ?
C81A C80A H80A 120.0 . . ?
C80A C81A H81A 120.0 . . ?
C82A C81A C80A 120.0 . . ?
C82A C81A H81A 120.0 . . ?
C77A C82A H82A 120.0 . . ?
C81A C82A C77A 120.0 . . ?
C81A C82A H82A 120.0 . . ?
N4 C39A H39A 109.6 . . ?
N4 C39A H39B 109.6 . . ?
N4 C39A C40A 110.1(8) . . ?
H39A C39A H39B 108.1 . . ?
C40A C39A H39A 109.6 . . ?
C40A C39A H39B 109.6 . . ?
C30A C25A C24A 119.8(7) . . ?
C30A C25A C26A 120.0 . . ?
C26A C25A C24A 120.2(7) . . ?
C25A C30A H30A 120.0 . . ?
C25A C30A C29A 120.0 . . ?
C29A C30A H30A 120.0 . . ?
C30A C29A H29A 120.0 . . ?
C28A C29A C30A 120.0 . . ?
C28A C29A H29A 120.0 . . ?
C29A C28A H28A 120.0 . . ?
C29A C28A C27A 120.0 . . ?
C27A C28A H28A 120.0 . . ?
C28A C27A H27A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
C26A C27A H27A 120.0 . . ?
C25A C26A H26A 120.0 . . ?
C27A C26A C25A 120.0 . . ?
C27A C26A H26A 120.0 . . ?
C45A C40A C39A 120.6(7) . . ?
C45A C40A C41A 120.0 . . ?
C41A C40A C39A 119.4(7) . . ?
C40A C45A H45A 120.0 . . ?
C40A C45A C44A 120.0 . . ?
C44A C45A H45A 120.0 . . ?
C45A C44A H44A 120.0 . . ?
C43A C44A C45A 120.0 . . ?
C43A C44A H44A 120.0 . . ?
C44A C43A H43A 120.0 . . ?
C44A C43A C42A 120.0 . . ?
C42A C43A H43A 120.0 . . ?
C43A C42A H42A 120.0 . . ?
C43A C42A C41A 120.0 . . ?
C41A C42A H42A 120.0 . . ?
C40A C41A H41A 120.0 . . ?
C42A C41A C40A 120.0 . . ?
C42A C41A H41A 120.0 . . ?
N3 C31B H31C 108.2 . . ?
N3 C31B H31D 108.2 . . ?
N3 C31B C32B 116(3) . . ?
H31C C31B H31D 107.4 . . ?
C32B C31B H31C 108.2 . . ?
C32B C31B H31D 108.2 . . ?
C37B C32B C31B 126(2) . . ?
C37B C32B C33B 120.0 . . ?
C33B C32B C31B 114(2) . . ?
C32B C37B H37B 120.0 . . ?
C36B C37B C32B 120.0 . . ?
C36B C37B H37B 120.0 . . ?
C37B C36B H36B 120.0 . . ?
C35B C36B C37B 120.0 . . ?
C35B C36B H36B 120.0 . . ?
C36B C35B H35B 120.0 . . ?
C36B C35B C34B 120.0 . . ?
C34B C35B H35B 120.0 . . ?
C35B C34B H34B 120.0 . . ?
C33B C34B C35B 120.0 . . ?
C33B C34B H34B 120.0 . . ?
C32B C33B H33B 120.0 . . ?
C34B C33B C32B 120.0 . . ?
C34B C33B H33B 120.0 . . ?
N4 C46A H46A 109.2 . . ?
N4 C46A H46B 109.2 . . ?
N4 C46A C47A 112.2(8) . . ?
H46A C46A H46B 107.9 . . ?
C47A C46A H46A 109.2 . . ?
C47A C46A H46B 109.2 . . ?
C51A C52A H52A 120.0 . . ?
C51A C52A C47A 120.0 . . ?
C47A C52A H52A 120.0 . . ?
C52A C51A H51A 120.0 . . ?
C50A C51A C52A 120.0 . . ?
C50A C51A H51A 120.0 . . ?
C51A C50A H50A 120.0 . . ?
C49A C50A C51A 120.0 . . ?
C49A C50A H50A 120.0 . . ?
C50A C49A H49A 120.0 . . ?
C50A C49A C48A 120.0 . . ?
C48A C49A H49A 120.0 . . ?
C49A C48A H48A 120.0 . . ?
C49A C48A C47A 120.0 . . ?
C47A C48A H48A 120.0 . . ?
C52A C47A C46A 123.8(10) . . ?
C48A C47A C46A 116.2(10) . . ?
C48A C47A C52A 120.0 . . ?
N4 C46B H46C 107.1 . . ?
N4 C46B H46D 107.1 . . ?
N4 C46B C47B 120.8(16) . . ?
H46C C46B H46D 106.8 . . ?
C47B C46B H46C 107.1 . . ?
C47B C46B H46D 107.1 . . ?
C52B C47B C46B 117.3(14) . . ?
C52B C47B C48B 120.0 . . ?
C48B C47B C46B 122.7(14) . . ?
C47B C52B H52B 120.0 . . ?
C47B C52B C51B 120.0 . . ?
C51B C52B H52B 120.0 . . ?
C52B C51B H51B 120.0 . . ?
C52B C51B C50B 120.0 . . ?
C50B C51B H51B 120.0 . . ?
C51B C50B H50B 120.0 . . ?
C49B C50B C51B 120.0 . . ?
C49B C50B H50B 120.0 . . ?
C50B C49B H49B 120.0 . . ?
C48B C49B C50B 120.0 . . ?
C48B C49B H49B 120.0 . . ?
C47B C48B H48B 120.0 . . ?
C49B C48B C47B 120.0 . . ?
C49B C48B H48B 120.0 . . ?
N4 C39B H39C 107.9 . . ?
N4 C39B H39D 107.9 . . ?
N4 C39B C40B 117.7(11) . . ?
H39C C39B H39D 107.2 . . ?
C40B C39B H39C 107.9 . . ?
C40B C39B H39D 107.9 . . ?
C45B C40B C39B 119.5(9) . . ?
C45B C40B C41B 120.0 . . ?
C41B C40B C39B 120.5(9) . . ?
C40B C45B H45B 120.0 . . ?
C44B C45B C40B 120.0 . . ?
C44B C45B H45B 120.0 . . ?
C45B C44B H44B 120.0 . . ?
C45B C44B C43B 120.0 . . ?
C43B C44B H44B 120.0 . . ?
C44B C43B H43B 120.0 . . ?
C42B C43B C44B 120.0 . . ?
C42B C43B H43B 120.0 . . ?
C43B C42B H42B 120.0 . . ?
C41B C42B C43B 120.0 . . ?
C41B C42B H42B 120.0 . . ?
C40B C41B H41B 120.0 . . ?
C42B C41B C40B 120.0 . . ?
C42B C41B H41B 120.0 . . ?
C82B C77B C76 124.3(7) . . ?
C82B C77B C78B 120.0 . . ?
C78B C77B C76 115.6(7) . . ?
C77B C82B H82B 120.0 . . ?
C77B C82B C81B 120.0 . . ?
C81B C82B H82B 120.0 . . ?
C82B C81B H81B 120.0 . . ?
C80B C81B C82B 120.0 . . ?
C80B C81B H81B 120.0 . . ?
C81B C80B H80B 120.0 . . ?
C81B C80B C79B 120.0 . . ?
C79B C80B H80B 120.0 . . ?
C80B C79B H79B 120.0 . . ?
C80B C79B C78B 120.0 . . ?
C78B C79B H79B 120.0 . . ?
C77B C78B H78B 120.0 . . ?
C79B C78B C77B 120.0 . . ?
C79B C78B H78B 120.0 . . ?
N3 C24B H24C 112.5 . . ?
N3 C24B H24D 112.5 . . ?
N3 C24B C25B 96(2) . . ?
H24C C24B H24D 110.0 . . ?
C25B C24B H24C 112.5 . . ?
C25B C24B H24D 112.5 . . ?
C25B C26B H26B 120.0 . . ?
C25B C26B C27B 120.0 . . ?
C27B C26B H26B 120.0 . . ?
C26B C25B C24B 121(2) . . ?
C26B C25B C30B 120.0 . . ?
C30B C25B C24B 119(2) . . ?
C25B C30B H30B 120.0 . . ?
C29B C30B C25B 120.0 . . ?
C29B C30B H30B 120.0 . . ?
C30B C29B H29B 120.0 . . ?
C30B C29B C28B 120.0 . . ?
C28B C29B H29B 120.0 . . ?
C29B C28B H28B 120.0 . . ?
C29B C28B C27B 120.0 . . ?
C27B C28B H28B 120.0 . . ?
C26B C27B H27B 120.0 . . ?
C28B C27B C26B 120.0 . . ?
C28B C27B H27B 120.0 . . ?
H30C C301 H30D 109.5 . . ?
H30C C301 H30E 109.5 . . ?
H30D C301 H30E 109.5 . . ?
C302 C301 H30C 109.5 . . ?
C302 C301 H30D 109.5 . . ?
C302 C301 H30E 109.5 . . ?
C307 C306 H306 120.0 . . ?
C307 C306 C305 120.0 . . ?
C305 C306 H306 120.0 . . ?
C306 C307 H307 120.0 . . ?
C306 C307 C302 120.0 . . ?
C302 C307 H307 120.0 . . ?
C307 C302 C301 119.7(7) . . ?
C307 C302 C303 120.0 . . ?
C303 C302 C301 120.2(7) . . ?
C302 C303 H303 120.0 . . ?
C304 C303 C302 120.0 . . ?
C304 C303 H303 120.0 . . ?
C303 C304 H304 120.0 . . ?
C303 C304 C305 120.0 . . ?
C305 C304 H304 120.0 . . ?
C306 C305 H305 120.0 . . ?
C304 C305 C306 120.0 . . ?
C304 C305 H305 120.0 . . ?
H30F C308 H30G 109.5 . . ?
H30F C308 H30H 109.5 . . ?
H30G C308 H30H 109.5 . . ?
C309 C308 H30F 109.5 . . ?
C309 C308 H30G 109.5 . . ?
C309 C308 H30H 109.5 . . ?
C312 C311 H311 120.0 . . ?
C312 C311 C310 120.0 . . ?
C310 C311 H311 120.0 . . ?
C311 C312 H312 120.0 . . ?
C311 C312 C313 120.0 . . ?
C313 C312 H312 120.0 . . ?
C312 C313 H313 120.0 . . ?
C314 C313 C312 120.0 . . ?
C314 C313 H313 120.0 . . ?
C313 C314 H314 120.0 . . ?
C313 C314 C309 120.0 . . ?
C309 C314 H314 120.0 . . ?
C314 C309 C308 121.0(8) . . ?
C310 C309 C308 119.0(8) . . ?
C310 C309 C314 120.0 . . ?
C311 C310 H310 120.0 . . ?
C309 C310 C311 120.0 . . ?
C309 C310 H310 120.0 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C48C 120.0 . . ?
C48C C27 H27 120.0 . . ?
C27 C26 H26 120.0 . . ?
C27 C26 C28 120.0 . . ?
C28 C26 H26 120.0 . . ?
C26 C28 C46C 106(3) . . ?
C24 C28 C26 120.0 . . ?
C24 C28 C46C 134(3) . . ?
C28 C24 H24 120.0 . . ?
C25 C24 C28 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C48C C25 C24 120.0 . . ?
C48C C25 H25 120.0 . . ?
C27 C48C H48C 120.0 . . ?
C25 C48C C27 120.0 . . ?
C25 C48C H48C 120.0 . . ?
N4 C46C C28 119(2) . . ?
N4 C46C H46E 107.6 . . ?
N4 C46C H46F 107.6 . . ?
C28 C46C H46E 107.6 . . ?
C28 C46C H46F 107.6 . . ?
H46E C46C H46F 107.0 . . ?

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
Dy3 O3 C1 O2 -164.5(3) . . . . ?
Dy3 O3 C1 O1 12.6(4) . . . . ?
Dy3 O8 C20 C19 -148.7(3) . . . . ?
Dy3 O8 C20 C15 32.1(7) . . . . ?
Dy3 O16 C68 O17 6.9(5) . . . . ?
Dy3 O16 C68 N6 -173.0(4) . . . . ?
Dy3 O17 C68 O16 -6.6(5) . . . . ?
Dy3 O17 C68 N6 173.2(4) . . . . ?
Dy3 O1 C1 O3 -12.3(3) . . . . ?
Dy3 O1 C1 O2 164.8(4) . . . . ?
Dy3 O15 C53 O14 -24.0(11) . . . . ?
Dy3 O15 C53 N5 156.5(6) . . . . ?
Dy3 O13 C38 O12 -21.4(8) 3_666 . . . ?
Dy3 O13 C38 N4 159.0(3) 3_666 . . . ?
Dy3 N2 C14 C15 -11.6(8) . . . . ?
Dy1 O6 C11 C6 162.9(3) . . . . ?
Dy1 O6 C11 C10 -15.9(6) . . . . ?
Dy1 O7 C10 C11 10.1(5) . . . . ?
Dy1 O7 C10 C9 -168.9(4) . . . . ?
Dy1 O4 C2 C3 43.1(5) . . . . ?
Dy1 O11 C23 O10 7.5(5) . . . . ?
Dy1 O11 C23 N3 -173.6(5) . . . . ?
Dy1 O5 C3 C2 42.5(4) . . . . ?
Dy1 O1 C1 O3 175.9(2) . . . . ?
Dy1 O1 C1 O2 -7.1(6) . . . . ?
Dy1 O14 C53 O15 13.1(8) . . . . ?
Dy1 O14 C53 N5 -167.5(3) . . . . ?
Dy1 O10 C23 O11 -7.6(5) . . . . ?
Dy1 O10 C23 N3 173.5(5) . . . . ?
Dy2 O3 C1 O2 78.5(4) 3_666 . . . ?
Dy2 O3 C1 O1 -104.4(4) 3_666 . . . ?
Dy2 O6 C11 C6 -48.7(6) . . . . ?
Dy2 O6 C11 C10 132.5(4) . . . . ?
Dy2 O2 C1 O3 -149.8(3) . . . . ?
Dy2 O2 C1 O1 33.3(6) . . . . ?
Dy2 O4 C2 C3 -125.2(3) . . . . ?
Dy2 O8 C20 C19 31.8(5) 3_666 . . . ?
Dy2 O8 C20 C15 -147.4(4) 3_666 . . . ?
Dy2 O9 C19 C20 -24.3(5) 3_666 . . . ?
Dy2 O9 C19 C18 154.9(4) 3_666 . . . ?
Dy2 O12 C38 O13 18.5(9) . . . . ?
Dy2 O12 C38 N4 -161.9(4) . . . . ?
Dy2 N1 C5 C6 7.2(8) . . . . ?
O6 C11 C6 C5 -2.7(8) . . . . ?
O6 C11 C6 C7 -178.7(5) . . . . ?
O6 C11 C10 O7 2.2(6) . . . . ?
O6 C11 C10 C9 -178.8(4) . . . . ?
O7 C10 C9 C8 176.4(5) . . . . ?
O4 C2 C3 O5 -55.2(5) . . . . ?
O8 C20 C19 O9 -1.8(6) . . . . ?
O8 C20 C19 C18 179.0(5) . . . . ?
O8 C20 C15 C14 4.5(8) . . . . ?
O8 C20 C15 C16 -179.5(5) . . . . ?
O11 C23 N3 C31A 10(2) . . . . ?
O11 C23 N3 C24A 172.2(7) . . . . ?
O11 C23 N3 C31B 18(2) . . . . ?
O11 C23 N3 C24B -170(2) . . . . ?
O9 C19 C18 C17 -177.5(5) . . . . ?
O13 C38 N4 C39A -166.0(7) . . . . ?
O13 C38 N4 C46A -18.5(10) . . . . ?
O13 C38 N4 C46B 10.7(12) . . . . ?
O13 C38 N4 C39B 175.0(8) . . . . ?
O13 C38 N4 C46C -13.3(15) . . . . ?
O12 C38 N4 C39A 14.3(9) . . . . ?
O12 C38 N4 C46A 161.8(8) . . . . ?
O12 C38 N4 C46B -169.0(10) . . . . ?
O12 C38 N4 C39B -4.7(9) . . . . ?
O12 C38 N4 C46C 167.0(15) . . . . ?
O10 C23 N3 C31A -171.3(19) . . . . ?
O10 C23 N3 C24A -8.9(10) . . . . ?
O10 C23 N3 C31B -163(2) . . . . ?
O10 C23 N3 C24B 9(2) . . . . ?
N5 C54 C55 C56 -17.9(8) . . . . ?
N5 C54 C55 C60 167.2(5) . . . . ?
C11 C6 C5 N1 23.4(9) . . . . ?
C11 C6 C7 C8 -2.4(8) . . . . ?
C11 C10 C9 C8 -2.6(8) . . . . ?
N6 C76 C77A C78A -35.5(13) . . . . ?
N6 C76 C77A C82A 140.8(8) . . . . ?
N6 C76 C77B C82B 106.1(11) . . . . ?
N6 C76 C77B C78B -69.6(10) . . . . ?
C6 C11 C10 O7 -176.7(4) . . . . ?
C6 C11 C10 C9 2.4(7) . . . . ?
C10 C11 C6 C5 176.1(5) . . . . ?
C10 C11 C6 C7 0.1(7) . . . . ?
C21 O9 C19 C20 163.1(4) . . . . ?
C21 O9 C19 C18 -17.7(7) . . . . ?
C38 N4 C39A C40A -67.1(11) . . . . ?
C38 N4 C46A C47A 118.2(12) . . . . ?
C38 N4 C46B C47B 105(2) . . . . ?
C38 N4 C39B C40B -72.0(13) . . . . ?
C38 N4 C46C C28 107(5) . . . . ?
C12 O7 C10 C11 175.2(4) . . . . ?
C12 O7 C10 C9 -3.9(7) . . . . ?
C5 C6 C7 C8 -178.6(5) . . . . ?
C68 N6 C69 C70 87.4(6) . . . . ?
C68 N6 C76 C77A 85.3(9) . . . . ?
C68 N6 C76 C77B 93.7(8) . . . . ?
C20 C19 C18 C17 1.6(8) . . . . ?
C20 C15 C14 N2 -13.2(8) . . . . ?
C20 C15 C16 C17 -0.8(9) . . . . ?
C19 C20 C15 C14 -174.7(5) . . . . ?
C19 C20 C15 C16 1.3(7) . . . . ?
C19 C18 C17 C16 -1.1(10) . . . . ?
C53 N5 C61 C62 99.8(5) . . . . ?
C53 N5 C54 C55 96.3(6) . . . . ?
C62 C67 C66 C65 -1.8(9) . . . . ?
C62 C63 C64 C65 -1.0(11) . . . . ?
C7 C6 C5 N1 -160.5(6) . . . . ?
C7 C8 C9 C10 0.3(9) . . . . ?
C23 N3 C31A C32A -137(3) . . . . ?
C23 N3 C24A C25A -104.7(11) . . . . ?
C23 N3 C31B C32B -135(4) . . . . ?
C23 N3 C24B C25B -100(3) . . . . ?
C15 C20 C19 O9 177.4(4) . . . . ?
C15 C20 C19 C18 -1.7(7) . . . . ?
C15 C16 C17 C18 0.7(10) . . . . ?
C61 N5 C53 O14 -6.6(7) . . . . ?
C61 N5 C53 O15 173.0(4) . . . . ?
C61 N5 C54 C55 -87.2(6) . . . . ?
C61 C62 C67 C66 -179.3(5) . . . . ?
C61 C62 C63 C64 -179.3(6) . . . . ?
C67 C62 C61 N5 -86.1(6) . . . . ?
C67 C62 C63 C64 0.8(9) . . . . ?
C14 C15 C16 C17 175.4(6) . . . . ?
C75 C70 C69 N6 -76.7(6) . . . . ?
C75 C70 C71 C72 1.9(10) . . . . ?
C75 C74 C73 C72 1.2(12) . . . . ?
C70 C75 C74 C73 -1.6(11) . . . . ?
C70 C71 C72 C73 -2.3(11) . . . . ?
C69 N6 C68 O16 2.1(7) . . . . ?
C69 N6 C68 O17 -177.7(4) . . . . ?
C69 N6 C76 C77A -93.7(9) . . . . ?
C69 N6 C76 C77B -85.4(7) . . . . ?
C69 C70 C71 C72 -178.1(6) . . . . ?
C9 C8 C7 C6 2.2(9) . . . . ?
C16 C15 C14 N2 170.8(5) . . . . ?
C54 N5 C53 O14 169.8(5) . . . . ?
C54 N5 C53 O15 -10.7(7) . . . . ?
C54 N5 C61 C62 -76.6(6) . . . . ?
C54 C55 C56 C57 -176.7(6) . . . . ?
C54 C55 C60 C59 176.2(7) . . . . ?
C4 O5 C3 C2 -167.4(4) . . . . ?
C71 C70 C69 N6 103.4(6) . . . . ?
C71 C72 C73 C74 0.7(12) . . . . ?
C22 N2 C14 C15 175.7(5) . . . . ?
C63 C62 C61 N5 94.0(6) . . . . ?
C63 C62 C67 C66 0.6(8) . . . . ?
C13 N1 C5 C6 -177.8(6) . . . . ?
C74 C75 C70 C69 -180.0(6) . . . . ?
C74 C75 C70 C71 0.0(10) . . . . ?
C64 C65 C66 C67 1.7(10) . . . . ?
C66 C65 C64 C63 -0.3(11) . . . . ?
C76 N6 C68 O16 -176.9(5) . . . . ?
C76 N6 C68 O17 3.2(7) . . . . ?
C76 N6 C69 C70 -93.5(6) . . . . ?
C76 C77A C78A C79A 176.2(13) . . . . ?
C76 C77A C82A C81A -176.4(12) . . . . ?
C76 C77B C82B C81B -175.5(11) . . . . ?
C76 C77B C78B C79B 175.9(10) . . . . ?
C55 C56 C57 C58 1.6(11) . . . . ?
C55 C60 C59 C58 -0.2(13) . . . . ?
C56 C55 C60 C59 0.9(10) . . . . ?
C60 C55 C56 C57 -1.6(10) . . . . ?
C57 C58 C59 C60 0.2(14) . . . . ?
C59 C58 C57 C56 -0.9(12) . . . . ?
N4 C39A C40A C45A -69.8(11) . . . . ?
N4 C39A C40A C41A 112.2(10) . . . . ?
N4 C46A C47A C52A -72.8(16) . . . . ?
N4 C46A C47A C48A 109.5(13) . . . . ?
N4 C46B C47B C52B -36(3) . . . . ?
N4 C46B C47B C48B 143.1(18) . . . . ?
N4 C39B C40B C45B -43.1(15) . . . . ?
N4 C39B C40B C41B 137.9(11) . . . . ?
N3 C24A C25A C30A -129.5(9) . . . . ?
N3 C24A C25A C26A 48.8(13) . . . . ?
N3 C31B C32B C37B 46(7) . . . . ?
N3 C31B C32B C33B -136(4) . . . . ?
N3 C24B C25B C26B 60(3) . . . . ?
N3 C24B C25B C30B -125(2) . . . . ?
C32A C37A C36A C35A 0.0 . . . . ?
C37A C32A C33A C34A 0.0 . . . . ?
C37A C32A C31A N3 46(5) . . . . ?
C37A C36A C35A C34A 0.0 . . . . ?
C36A C35A C34A C33A 0.0 . . . . ?
C35A C34A C33A C32A 0.0 . . . . ?
C33A C32A C37A C36A 0.0 . . . . ?
C33A C32A C31A N3 -146(2) . . . . ?
C31A N3 C24A C25A 58.1(19) . . . . ?
C31A C32A C37A C36A 168(3) . . . . ?
C31A C32A C33A C34A -167(3) . . . . ?
C24A N3 C31A C32A 60(4) . . . . ?
C24A C25A C30A C29A 178.3(10) . . . . ?
C24A C25A C26A C27A -178.3(10) . . . . ?
C77A C78A C79A C80A 0.0 . . . . ?
C78A C77A C82A C81A 0.0 . . . . ?
C78A C79A C80A C81A 0.0 . . . . ?
C79A C80A C81A C82A 0.0 . . . . ?
C80A C81A C82A C77A 0.0 . . . . ?
C82A C77A C78A C79A 0.0 . . . . ?
C39A N4 C46A C47A -89.0(15) . . . . ?
C39A C40A C45A C44A -178.0(9) . . . . ?
C39A C40A C41A C42A 178.0(9) . . . . ?
C25A C30A C29A C28A 0.0 . . . . ?
C30A C25A C26A C27A 0.0 . . . . ?
C30A C29A C28A C27A 0.0 . . . . ?
C29A C28A C27A C26A 0.0 . . . . ?
C28A C27A C26A C25A 0.0 . . . . ?
C26A C25A C30A C29A 0.0 . . . . ?
C40A C45A C44A C43A 0.0 . . . . ?
C45A C40A C41A C42A 0.0 . . . . ?
C45A C44A C43A C42A 0.0 . . . . ?
C44A C43A C42A C41A 0.0 . . . . ?
C43A C42A C41A C40A 0.0 . . . . ?
C41A C40A C45A C44A 0.0 . . . . ?
C31B N3 C24B C25B 73(3) . . . . ?
C31B C32B C37B C36B 178(3) . . . . ?
C31B C32B C33B C34B -179(3) . . . . ?
C32B C37B C36B C35B 0.0 . . . . ?
C37B C32B C33B C34B 0.0 . . . . ?
C37B C36B C35B C34B 0.0 . . . . ?
C36B C35B C34B C33B 0.0 . . . . ?
C35B C34B C33B C32B 0.0 . . . . ?
C33B C32B C37B C36B 0.0 . . . . ?
C46A N4 C39A C40A 139.8(9) . . . . ?
C52A C51A C50A C49A 0.0 . . . . ?
C51A C52A C47A C46A -177.6(9) . . . . ?
C51A C52A C47A C48A 0.0 . . . . ?
C51A C50A C49A C48A 0.0 . . . . ?
C50A C49A C48A C47A 0.0 . . . . ?
C49A C48A C47A C46A 177.8(8) . . . . ?
C49A C48A C47A C52A 0.0 . . . . ?
C47A C52A C51A C50A 0.0 . . . . ?
C46B N4 C39B C40B 90.0(18) . . . . ?
C46B C47B C52B C51B 179(2) . . . . ?
C46B C47B C48B C49B -179(2) . . . . ?
C47B C52B C51B C50B 0.0 . . . . ?
C52B C47B C48B C49B 0.0 . . . . ?
C52B C51B C50B C49B 0.0 . . . . ?
C51B C50B C49B C48B 0.0 . . . . ?
C50B C49B C48B C47B 0.0 . . . . ?
C48B C47B C52B C51B 0.0 . . . . ?
C39B N4 C46B C47B -56(3) . . . . ?
C39B C40B C45B C44B -179.1(10) . . . . ?
C39B C40B C41B C42B 179.1(10) . . . . ?
C40B C45B C44B C43B 0.0 . . . . ?
C45B C40B C41B C42B 0.0 . . . . ?
C45B C44B C43B C42B 0.0 . . . . ?
C44B C43B C42B C41B 0.0 . . . . ?
C43B C42B C41B C40B 0.0 . . . . ?
C41B C40B C45B C44B 0.0 . . . . ?
C77B C82B C81B C80B 0.0 . . . . ?
C82B C77B C78B C79B 0.0 . . . . ?
C82B C81B C80B C79B 0.0 . . . . ?
C81B C80B C79B C78B 0.0 . . . . ?
C80B C79B C78B C77B 0.0 . . . . ?
C78B C77B C82B C81B 0.0 . . . . ?
C24B N3 C31B C32B 52(6) . . . . ?
C24B C25B C30B C29B -176(3) . . . . ?
C26B C25B C30B C29B 0.0 . . . . ?
C25B C26B C27B C28B 0.0 . . . . ?
C25B C30B C29B C28B 0.0 . . . . ?
C30B C29B C28B C27B 0.0 . . . . ?
C29B C28B C27B C26B 0.0 . . . . ?
C27B C26B C25B C24B 175(2) . . . . ?
C27B C26B C25B C30B 0.0 . . . . ?
C301 C302 C303 C304 175.9(10) . . . . ?
C306 C307 C302 C301 -175.9(10) . . . . ?
C306 C307 C302 C303 0.0 . . . . ?
C307 C306 C305 C304 0.0 . . . . ?
C307 C302 C303 C304 0.0 . . . . ?
C302 C303 C304 C305 0.0 . . . . ?
C303 C304 C305 C306 0.0 . . . . ?
C305 C306 C307 C302 0.0 . . . . ?
C308 C309 C310 C311 179.7(9) . . . . ?
C311 C312 C313 C314 0.0 . . . . ?
C312 C311 C310 C309 0.0 . . . . ?
C312 C313 C314 C309 0.0 . . . . ?
C313 C314 C309 C308 -179.7(9) . . . . ?
C313 C314 C309 C310 0.0 . . . . ?
C314 C309 C310 C311 0.0 . . . . ?
C310 C311 C312 C313 0.0 . . . . ?
C27 C26 C28 C24 0.0 . . . . ?
C27 C26 C28 C46C -179(2) . . . . ?
C26 C27 C48C C25 0.0 . . . . ?
C26 C28 C24 C25 0.0 . . . . ?
C26 C28 C46C N4 -109(5) . . . . ?
C28 C24 C25 C48C 0.0 . . . . ?
C24 C28 C46C N4 72(6) . . . . ?
C24 C25 C48C C27 0.0 . . . . ?
C48C C27 C26 C28 0.0 . . . . ?
C46C C28 C24 C25 179(3) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 144 electrons were 
found in a volume of 568Å³ in 1 void per unit cell. 
This is consistent with the presence of 
1.5[C7H8] per Unit Cell 
which account for 150 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.398 0.035 0.690 141.9 36.2 '0.75 C7H8'
2 0.398 0.465 0.190 141.9 36.1 '0.75 C7H8'
3 0.602 -0.035 0.310 141.9 38.5 '0.75 C7H8'
4 0.602 0.535 0.810 141.9 38.6 '0.75 C7H8'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.173
_oxdiff_exptl_absorpt_empirical_full_min 0.888
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_chemical_properties_physical    Moisture-sensitive
