# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_em-dy
_database_code_depnum_ccdc_archive 'CCDC 2354974'
loop_
_audit_author_name
_audit_author_address
'Olaf Fuhr'
;Karlsruher Institut fuer Technologie (KIT)
Germany
;
_audit_update_record             
;
2024-06-26 deposited with the CCDC.	2024-07-10 downloaded from the CCDC.
;
_audit_creation_date             2024-06-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
olaf.fuhr@kit.edu
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H44 Dy3 N9 O14, 2.5(C2 H3 N)'
_chemical_formula_sum            'C68 H51.50 Dy3 N11.50 O14'
_chemical_formula_weight         1741.20
_chemical_melting_point          ?
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6383(4)
_cell_length_b                   16.6621(6)
_cell_length_c                   18.2109(6)
_cell_angle_alpha                76.207(3)
_cell_angle_beta                 72.362(2)
_cell_angle_gamma                88.591(3)
_cell_volume                     3264.0(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    30254
_cell_measurement_temperature    180
_cell_measurement_theta_max      31.84
_cell_measurement_theta_min      1.21
_shelx_estimated_absorpt_T_max   0.845
_shelx_estimated_absorpt_T_min   0.624
_exptl_absorpt_coefficient_mu    3.474
_exptl_absorpt_correction_T_max  0.8403
_exptl_absorpt_correction_T_min  0.5933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1700
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_unetI/netI     0.0725
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            44608
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         1.209
_diffrn_ambient_temperature      180
_diffrn_detector                 'EIGER2 1M CDTE'
_diffrn_detector_area_resol_mean 13.33
_diffrn_detector_type            DECTRIS
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
 854 frames, detector distance = 60 mm
;
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'Stoe StadiVari'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   Axo_Mo
_diffrn_source_current           0.830
_diffrn_source_power             0.050
_diffrn_source_target            Mo
_diffrn_source_type              'microfocus sealed X-ray tube'
_diffrn_source_voltage           60
_reflns_d_resolution_high        0.659
_reflns_d_resolution_low         16.837
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_limit_h_max              17
_reflns_limit_h_min              -9
_reflns_limit_k_max              24
_reflns_limit_k_min              -24
_reflns_limit_l_max              27
_reflns_limit_l_min              -27
_reflns_number_gt                11004
_reflns_number_total             15673
_reflns_special_details          'reflections have not been merged'
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
X-Area Recipe 1.37.0.0 (STOE, 2021)
;
_computing_data_collection       
;
X-Area Pilatus3_SV 1.31.186.0 (STOE, 2022)
;
_computing_data_reduction        
;
X-Area Integrate 2.5.3.0 (STOE, 2021)
X-Area LANA 2.7.5.0 (STOE, 2022)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 2.1, Darmstadt 2022
;
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.633
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.854
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     872
_refine_ls_number_reflns         15673
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0275
_refine_ls_restrained_S_all      0.854
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0168P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0477
_refine_ls_wR_factor_ref         0.0487
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Others
 Fixed Sof: N12(0.5) C68(0.5) C69(0.5) H69A(0.5) H69B(0.5) H69C(0.5)
3.a Rotating group:
 O14(H14A,H14B)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24),
  C25(H25), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33), C34(H34),
 C37(H37), C38(H38), C39(H39), C41(H41), C42(H42), C43(H43), C46(H46), C47(H47),
  C48(H48), C50(H50), C51(H51), C52(H52), C55(H55), C56(H56), C57(H57),
 C59(H59), C60(H60), C61(H61)
3.c Idealised Me refined as rotating group:
 C67(H67A,H67B,H67C), C69(H69A,H69B,H69C), C65(H65A,H65B,H65C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.66655(2) 0.83367(2) 0.82384(2) 0.01831(4) Uani 1 1 d . . . . .
Dy2 Dy 0.54015(2) 0.71775(2) 0.72707(2) 0.01625(4) Uani 1 1 d . . . . .
Dy3 Dy 0.55521(2) 0.64840(2) 0.55419(2) 0.01684(4) Uani 1 1 d . . . . .
O1 O 0.73125(18) 0.75225(14) 0.73190(13) 0.0201(5) Uani 1 1 d . . . . .
O2 O 0.54630(19) 0.85299(14) 0.73780(13) 0.0205(5) Uani 1 1 d . . . . .
O3 O 0.53389(18) 0.72020(14) 0.86021(13) 0.0208(6) Uani 1 1 d . . . . .
O4 O 0.40935(17) 0.67685(14) 0.66513(12) 0.0180(5) Uani 1 1 d . . . . .
O5 O 0.63072(18) 0.61530(14) 0.66275(13) 0.0200(5) Uani 1 1 d . . . . .
O6 O 0.60712(18) 0.77185(14) 0.58738(13) 0.0182(5) Uani 1 1 d . . . . .
O7 O 0.52795(19) 0.61383(14) 0.44398(13) 0.0228(6) Uani 1 1 d . . . . .
O8 O 0.7524(2) 0.95474(16) 0.84893(15) 0.0298(6) Uani 1 1 d . . . . .
O9 O 0.7456(2) 0.96712(16) 0.72924(14) 0.0302(6) Uani 1 1 d . . . . .
O10 O 0.8180(2) 1.07018(17) 0.75881(18) 0.0494(9) Uani 1 1 d . . . . .
O11 O 0.6045(2) 0.82660(16) 0.96727(14) 0.0316(6) Uani 1 1 d . . . . .
O12 O 0.7494(2) 0.74935(16) 0.92699(15) 0.0333(7) Uani 1 1 d . . . . .
O13 O 0.6921(3) 0.75694(18) 1.05070(16) 0.0565(9) Uani 1 1 d . . . . .
O14 O 0.43542(19) 0.52191(14) 0.60758(14) 0.0244(6) Uani 1 1 d . . . . .
H14A H 0.420763 0.507178 0.658414 0.037 Uiso 1 1 d R U . . .
H14B H 0.476978 0.482594 0.590949 0.037 Uiso 1 1 d R U . . .
N1 N 0.8941(2) 0.83408(18) 0.76766(16) 0.0216(7) Uani 1 1 d . . . . .
N2 N 0.5035(2) 0.94005(18) 0.84742(17) 0.0253(7) Uani 1 1 d . . . . .
N3 N 0.4660(2) 0.58277(18) 0.82780(15) 0.0193(7) Uani 1 1 d . . . . .
N4 N 0.3184(2) 0.73194(17) 0.79698(16) 0.0190(7) Uani 1 1 d . . . . .
N5 N 0.7193(2) 0.54092(19) 0.54425(17) 0.0239(7) Uani 1 1 d . . . . .
N6 N 0.7266(2) 0.73357(18) 0.45005(16) 0.0229(7) Uani 1 1 d . . . . .
N7 N 0.4510(2) 0.75535(18) 0.48243(16) 0.0210(7) Uani 1 1 d . . . . .
N8 N 0.7727(3) 0.9996(2) 0.7781(2) 0.0336(8) Uani 1 1 d . . . . .
N9 N 0.6829(3) 0.7768(2) 0.98396(19) 0.0328(8) Uani 1 1 d . . . . .
C1 C 0.9764(3) 0.8708(2) 0.7872(2) 0.0295(9) Uani 1 1 d . . . . .
H1 H 0.951631 0.888168 0.835445 0.035 Uiso 1 1 calc R U . . .
C2 C 1.0973(3) 0.8854(2) 0.7410(2) 0.0303(10) Uani 1 1 d . . . . .
H2 H 1.152625 0.912130 0.757634 0.036 Uiso 1 1 calc R U . . .
C3 C 1.1348(3) 0.8607(2) 0.6718(2) 0.0290(9) Uani 1 1 d . . . . .
H3 H 1.216492 0.871252 0.639287 0.035 Uiso 1 1 calc R U . . .
C4 C 1.0527(3) 0.8196(2) 0.6485(2) 0.0258(9) Uani 1 1 d . . . . .
C5 C 1.0845(3) 0.7899(2) 0.5788(2) 0.0297(9) Uani 1 1 d . . . . .
H5 H 1.164533 0.799007 0.543385 0.036 Uiso 1 1 calc R U . . .
C6 C 0.9998(3) 0.7484(2) 0.5628(2) 0.0271(9) Uani 1 1 d . . . . .
H6 H 1.021265 0.729530 0.515321 0.033 Uiso 1 1 calc R U . . .
C7 C 0.8814(3) 0.7324(2) 0.61446(19) 0.0206(8) Uani 1 1 d . . . . .
H7 H 0.825563 0.700678 0.602723 0.025 Uiso 1 1 calc R U . . .
C8 C 0.8449(3) 0.7620(2) 0.6819(2) 0.0193(8) Uani 1 1 d . . . . .
C9 C 0.9324(3) 0.8065(2) 0.6992(2) 0.0197(8) Uani 1 1 d . . . . .
C10 C 0.4832(3) 0.9852(3) 0.9005(2) 0.0363(10) Uani 1 1 d . . . . .
H10 H 0.515575 0.967727 0.943483 0.044 Uiso 1 1 calc R U . . .
C11 C 0.4181(4) 1.0560(3) 0.8979(3) 0.0486(13) Uani 1 1 d . . . . .
H11 H 0.406118 1.085393 0.938115 0.058 Uiso 1 1 calc R U . . .
C12 C 0.3715(3) 1.0829(3) 0.8365(3) 0.0459(12) Uani 1 1 d . . . . .
H12 H 0.327811 1.131880 0.833360 0.055 Uiso 1 1 calc R U . . .
C13 C 0.3880(3) 1.0379(2) 0.7776(2) 0.0291(9) Uani 1 1 d . . . . .
C14 C 0.3437(3) 1.0606(2) 0.7118(2) 0.0318(10) Uani 1 1 d . . . . .
H14 H 0.298255 1.108474 0.705390 0.038 Uiso 1 1 calc R U . . .
C15 C 0.3656(3) 1.0144(2) 0.6581(2) 0.0278(9) Uani 1 1 d . . . . .
H15 H 0.334829 1.029972 0.614304 0.033 Uiso 1 1 calc R U . . .
C16 C 0.4335(3) 0.9434(2) 0.6658(2) 0.0244(9) Uani 1 1 d . . . . .
H16 H 0.448118 0.912162 0.626792 0.029 Uiso 1 1 calc R U . . .
C17 C 0.4790(3) 0.9185(2) 0.7283(2) 0.0220(8) Uani 1 1 d . . . . .
C18 C 0.4552(3) 0.9663(2) 0.7860(2) 0.0224(8) Uani 1 1 d . . . . .
C19 C 0.4385(3) 0.5146(2) 0.8122(2) 0.0253(9) Uani 1 1 d . . . . .
H19 H 0.461886 0.511793 0.758169 0.030 Uiso 1 1 calc R U . . .
C20 C 0.3767(3) 0.4456(2) 0.8698(2) 0.0273(9) Uani 1 1 d . . . . .
H20 H 0.360567 0.397016 0.855176 0.033 Uiso 1 1 calc R U . . .
C21 C 0.3400(3) 0.4493(2) 0.9472(2) 0.0305(9) Uani 1 1 d . . . . .
H21 H 0.296975 0.403193 0.987232 0.037 Uiso 1 1 calc R U . . .
C22 C 0.3659(3) 0.5215(2) 0.9680(2) 0.0225(8) Uani 1 1 d . . . . .
C23 C 0.3303(3) 0.5311(2) 1.0468(2) 0.0313(10) Uani 1 1 d . . . . .
H23 H 0.284280 0.488216 1.089436 0.038 Uiso 1 1 calc R U . . .
C24 C 0.3625(3) 0.6021(2) 1.0607(2) 0.0333(10) Uani 1 1 d . . . . .
H24 H 0.337714 0.608647 1.113547 0.040 Uiso 1 1 calc R U . . .
C25 C 0.4319(3) 0.6667(2) 0.9991(2) 0.0269(9) Uani 1 1 d . . . . .
H25 H 0.453473 0.715317 1.011582 0.032 Uiso 1 1 calc R U . . .
C26 C 0.4691(3) 0.6609(2) 0.9214(2) 0.0197(8) Uani 1 1 d . . . . .
C27 C 0.4340(3) 0.5871(2) 0.90501(19) 0.0186(8) Uani 1 1 d . . . . .
C28 C 0.2739(3) 0.7601(2) 0.8614(2) 0.0274(9) Uani 1 1 d . . . . .
H28 H 0.326737 0.791028 0.876454 0.033 Uiso 1 1 calc R U . . .
C29 C 0.1529(3) 0.7467(2) 0.9087(2) 0.0337(10) Uani 1 1 d . . . . .
H29 H 0.125279 0.766754 0.955401 0.040 Uiso 1 1 calc R U . . .
C30 C 0.0757(3) 0.7045(2) 0.8866(2) 0.0322(10) Uani 1 1 d . . . . .
H30 H -0.006454 0.694500 0.918230 0.039 Uiso 1 1 calc R U . . .
C31 C 0.1170(3) 0.6758(2) 0.8172(2) 0.0238(9) Uani 1 1 d . . . . .
C32 C 0.0414(3) 0.6352(2) 0.7881(2) 0.0294(9) Uani 1 1 d . . . . .
H32 H -0.041619 0.623342 0.817214 0.035 Uiso 1 1 calc R U . . .
C33 C 0.0886(3) 0.6131(2) 0.7178(2) 0.0312(10) Uani 1 1 d . . . . .
H33 H 0.036924 0.587295 0.697729 0.037 Uiso 1 1 calc R U . . .
C34 C 0.2126(3) 0.6278(2) 0.6741(2) 0.0248(9) Uani 1 1 d . . . . .
H34 H 0.242478 0.612616 0.624947 0.030 Uiso 1 1 calc R U . . .
C35 C 0.2902(3) 0.6638(2) 0.7024(2) 0.0186(8) Uani 1 1 d . . . . .
C36 C 0.2413(3) 0.6909(2) 0.7735(2) 0.0202(8) Uani 1 1 d . . . . .
C37 C 0.7661(3) 0.5034(3) 0.4867(2) 0.0370(11) Uani 1 1 d . . . . .
H37 H 0.740428 0.518796 0.440664 0.044 Uiso 1 1 calc R U . . .
C38 C 0.8511(4) 0.4423(3) 0.4884(3) 0.0521(14) Uani 1 1 d . . . . .
H38 H 0.881494 0.417860 0.444643 0.062 Uiso 1 1 calc R U . . .
C39 C 0.8892(4) 0.4187(3) 0.5535(3) 0.0491(13) Uani 1 1 d . . . . .
H39 H 0.946266 0.377101 0.555775 0.059 Uiso 1 1 calc R U . . .
C40 C 0.8441(3) 0.4558(2) 0.6172(2) 0.0304(9) Uani 1 1 d . . . . .
C41 C 0.8810(3) 0.4367(2) 0.6859(2) 0.0327(10) Uani 1 1 d . . . . .
H41 H 0.938129 0.395836 0.691536 0.039 Uiso 1 1 calc R U . . .
C42 C 0.8342(3) 0.4771(2) 0.7439(2) 0.0273(9) Uani 1 1 d . . . . .
H42 H 0.859228 0.463528 0.790264 0.033 Uiso 1 1 calc R U . . .
C43 C 0.7502(3) 0.5382(2) 0.7378(2) 0.0234(8) Uani 1 1 d . . . . .
H43 H 0.720642 0.565740 0.779374 0.028 Uiso 1 1 calc R U . . .
C44 C 0.7100(3) 0.5587(2) 0.6721(2) 0.0184(8) Uani 1 1 d . . . . .
C45 C 0.7583(3) 0.5173(2) 0.6102(2) 0.0213(8) Uani 1 1 d . . . . .
C46 C 0.7865(3) 0.7146(2) 0.3821(2) 0.0326(10) Uani 1 1 d . . . . .
H46 H 0.759167 0.666711 0.371303 0.039 Uiso 1 1 calc R U . . .
C47 C 0.8866(3) 0.7604(3) 0.3257(2) 0.0365(10) Uani 1 1 d . . . . .
H47 H 0.926038 0.744172 0.278014 0.044 Uiso 1 1 calc R U . . .
C48 C 0.9264(3) 0.8290(3) 0.3409(2) 0.0348(10) Uani 1 1 d . . . . .
H48 H 0.995323 0.860748 0.303728 0.042 Uiso 1 1 calc R U . . .
C49 C 0.8663(3) 0.8535(2) 0.4113(2) 0.0253(9) Uani 1 1 d . . . . .
C50 C 0.9019(3) 0.9246(2) 0.4309(2) 0.0287(9) Uani 1 1 d . . . . .
H50 H 0.970164 0.958741 0.396115 0.034 Uiso 1 1 calc R U . . .
C51 C 0.8375(3) 0.9429(2) 0.4994(2) 0.0282(9) Uani 1 1 d . . . . .
H51 H 0.861685 0.990568 0.512070 0.034 Uiso 1 1 calc R U . . .
C52 C 0.7354(3) 0.8940(2) 0.5531(2) 0.0226(8) Uani 1 1 d . . . . .
H52 H 0.691642 0.909551 0.600353 0.027 Uiso 1 1 calc R U . . .
C53 C 0.6992(3) 0.8239(2) 0.5369(2) 0.0189(8) Uani 1 1 d . . . . .
C54 C 0.7641(3) 0.8038(2) 0.4642(2) 0.0195(8) Uani 1 1 d . . . . .
C55 C 0.4185(3) 0.8265(2) 0.5001(2) 0.0266(9) Uani 1 1 d . . . . .
H55 H 0.430634 0.836785 0.546359 0.032 Uiso 1 1 calc R U . . .
C56 C 0.3671(3) 0.8876(2) 0.4544(2) 0.0268(9) Uani 1 1 d . . . . .
H56 H 0.347046 0.938399 0.469113 0.032 Uiso 1 1 calc R U . . .
C57 C 0.3463(3) 0.8740(2) 0.3896(2) 0.0326(10) Uani 1 1 d . . . . .
H57 H 0.309412 0.914718 0.359103 0.039 Uiso 1 1 calc R U . . .
C58 C 0.3793(3) 0.7994(2) 0.3667(2) 0.0297(9) Uani 1 1 d . . . . .
C59 C 0.3629(4) 0.7795(3) 0.2994(3) 0.0533(13) Uani 1 1 d . . . . .
H59 H 0.323627 0.816056 0.267156 0.064 Uiso 1 1 calc R U . . .
C60 C 0.4038(5) 0.7076(3) 0.2811(3) 0.0617(15) Uani 1 1 d . . . . .
H60 H 0.393254 0.695108 0.235242 0.074 Uiso 1 1 calc R U . . .
C61 C 0.4612(4) 0.6507(3) 0.3274(2) 0.0448(12) Uani 1 1 d . . . . .
H61 H 0.490034 0.601595 0.311823 0.054 Uiso 1 1 calc R U . . .
C62 C 0.4760(3) 0.6662(2) 0.3961(2) 0.0269(9) Uani 1 1 d . . . . .
C63 C 0.4348(3) 0.7416(2) 0.4148(2) 0.0217(8) Uani 1 1 d . . . . .
N11 N 0.1116(5) 0.7488(4) 1.1453(3) 0.121(2) Uani 1 1 d . . . . .
C66 C 0.1880(5) 0.7956(4) 1.1165(4) 0.084(2) Uani 1 1 d . . . . .
C67 C 0.2920(5) 0.8544(4) 1.0800(3) 0.105(2) Uani 1 1 d . . . . .
H67A H 0.334621 0.847569 1.026681 0.157 Uiso 1 1 calc R U . . .
H67B H 0.346737 0.844320 1.112551 0.157 Uiso 1 1 calc R U . . .
H67C H 0.264659 0.910938 1.076298 0.157 Uiso 1 1 calc R U . . .
N12 N 0.1255(9) 0.9316(7) 0.9502(6) 0.112(4) Uiso 0.5 1 d . . P . .
C68 C 0.0870(10) 0.9854(8) 0.9146(7) 0.083(4) Uiso 0.5 1 d . . P . .
C69 C 0.0381(9) 1.0555(7) 0.8698(7) 0.096(4) Uiso 0.5 1 d . . P . .
H69A H 0.097281 1.077179 0.817566 0.144 Uiso 0.5 1 calc R U P . .
H69B H 0.020733 1.099090 0.898859 0.144 Uiso 0.5 1 calc R U P . .
H69C H -0.036522 1.037122 0.862864 0.144 Uiso 0.5 1 calc R U P . .
N10 N 0.2200(3) 0.4245(2) 0.7332(2) 0.0544(11) Uani 1 1 d . . . . .
C64 C 0.1557(4) 0.4081(3) 0.7953(3) 0.0552(14) Uani 1 1 d . . . . .
C65 C 0.0732(4) 0.3889(4) 0.8786(3) 0.105(3) Uani 1 1 d . . . . .
H65A H -0.007238 0.371688 0.879456 0.157 Uiso 1 1 calc R U . . .
H65B H 0.067621 0.438295 0.899612 0.157 Uiso 1 1 calc R U . . .
H65C H 0.104923 0.344080 0.911527 0.157 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.5121(2) . ?
Dy1 O1 2.341(2) . ?
Dy1 O2 2.363(2) . ?
Dy1 O3 2.307(2) . ?
Dy1 O8 2.468(2) . ?
Dy1 O9 2.464(2) . ?
Dy1 O11 2.464(2) . ?
Dy1 O12 2.491(2) . ?
Dy1 N1 2.533(3) . ?
Dy1 N2 2.575(3) . ?
Dy1 N8 2.883(3) . ?
Dy1 N9 2.906(3) . ?
Dy2 Dy3 3.5591(2) . ?
Dy2 O1 2.3431(19) . ?
Dy2 O2 2.313(2) . ?
Dy2 O3 2.414(2) . ?
Dy2 O4 2.3478(19) . ?
Dy2 O5 2.348(2) . ?
Dy2 O6 2.373(2) . ?
Dy2 N3 2.517(3) . ?
Dy2 N4 2.541(3) . ?
Dy3 O4 2.351(2) . ?
Dy3 O5 2.344(2) . ?
Dy3 O6 2.416(2) . ?
Dy3 O7 2.325(2) . ?
Dy3 O14 2.383(2) . ?
Dy3 N5 2.581(3) . ?
Dy3 N6 2.481(3) . ?
Dy3 N7 2.469(3) . ?
O1 C8 1.347(4) . ?
O2 C17 1.336(4) . ?
O3 C26 1.337(4) . ?
O4 C35 1.344(3) . ?
O5 C44 1.321(4) . ?
O6 C53 1.347(4) . ?
O7 C62 1.347(4) . ?
O8 N8 1.282(4) . ?
O9 N8 1.262(4) . ?
O10 N8 1.227(4) . ?
O11 N9 1.274(4) . ?
O12 N9 1.268(4) . ?
O13 N9 1.218(3) . ?
O14 H14A 0.8628 . ?
O14 H14B 0.8632 . ?
N1 C1 1.325(4) . ?
N1 C9 1.375(4) . ?
N2 C10 1.325(4) . ?
N2 C18 1.377(4) . ?
N3 C19 1.304(4) . ?
N3 C27 1.360(4) . ?
N4 C28 1.322(4) . ?
N4 C36 1.364(4) . ?
N5 C37 1.318(4) . ?
N5 C45 1.378(4) . ?
N6 C46 1.330(4) . ?
N6 C54 1.366(4) . ?
N7 C55 1.318(4) . ?
N7 C63 1.371(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.396(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.360(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.408(4) . ?
C4 C5 1.414(5) . ?
C4 C9 1.412(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.356(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.403(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.377(4) . ?
C8 C9 1.424(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.386(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.363(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.415(5) . ?
C13 C14 1.413(5) . ?
C13 C18 1.412(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.344(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.410(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.371(4) . ?
C17 C18 1.423(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.396(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.359(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.409(5) . ?
C22 C23 1.416(5) . ?
C22 C27 1.425(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.351(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.409(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.376(4) . ?
C26 C27 1.429(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.402(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.360(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.402(5) . ?
C31 C32 1.413(4) . ?
C31 C36 1.419(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.365(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.415(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.377(4) . ?
C35 C36 1.422(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.403(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.358(5) . ?
C39 H39 0.9500 . ?
C39 C40 1.401(5) . ?
C40 C41 1.406(5) . ?
C40 C45 1.424(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.356(5) . ?
C42 H42 0.9500 . ?
C42 C43 1.403(5) . ?
C43 H43 0.9500 . ?
C43 C44 1.380(4) . ?
C44 C45 1.425(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.392(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.361(5) . ?
C48 H48 0.9500 . ?
C48 C49 1.411(5) . ?
C49 C50 1.419(5) . ?
C49 C54 1.415(4) . ?
C50 H50 0.9500 . ?
C50 C51 1.347(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.413(4) . ?
C52 H52 0.9500 . ?
C52 C53 1.375(4) . ?
C53 C54 1.424(4) . ?
C55 H55 0.9500 . ?
C55 C56 1.397(5) . ?
C56 H56 0.9500 . ?
C56 C57 1.344(5) . ?
C57 H57 0.9500 . ?
C57 C58 1.413(5) . ?
C58 C59 1.410(5) . ?
C58 C63 1.422(5) . ?
C59 H59 0.9500 . ?
C59 C60 1.355(6) . ?
C60 H60 0.9500 . ?
C60 C61 1.410(5) . ?
C61 H61 0.9500 . ?
C61 C62 1.395(5) . ?
C62 C63 1.415(5) . ?
N11 C66 1.109(6) . ?
C66 C67 1.459(7) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
N12 C68 1.142(14) . ?
C68 C69 1.467(14) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
N10 C64 1.124(5) . ?
C64 C65 1.493(6) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 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
O1 Dy1 Dy2 41.45(5) . . ?
O1 Dy1 O2 69.73(7) . . ?
O1 Dy1 O8 135.22(8) . . ?
O1 Dy1 O9 96.16(8) . . ?
O1 Dy1 O11 142.41(8) . . ?
O1 Dy1 O12 96.68(8) . . ?
O1 Dy1 N1 66.54(8) . . ?
O1 Dy1 N2 134.74(8) . . ?
O1 Dy1 N8 117.03(9) . . ?
O1 Dy1 N9 120.70(9) . . ?
O2 Dy1 Dy2 40.77(6) . . ?
O2 Dy1 O8 119.97(8) . . ?
O2 Dy1 O9 76.19(8) . . ?
O2 Dy1 O11 128.73(8) . . ?
O2 Dy1 O12 153.65(8) . . ?
O2 Dy1 N1 119.92(8) . . ?
O2 Dy1 N2 65.05(8) . . ?
O2 Dy1 N8 98.00(8) . . ?
O2 Dy1 N9 148.50(8) . . ?
O3 Dy1 Dy2 43.11(5) . . ?
O3 Dy1 O1 70.70(7) . . ?
O3 Dy1 O2 70.98(8) . . ?
O3 Dy1 O8 153.08(8) . . ?
O3 Dy1 O9 147.10(8) . . ?
O3 Dy1 O11 84.52(8) . . ?
O3 Dy1 O12 83.34(8) . . ?
O3 Dy1 N1 125.94(9) . . ?
O3 Dy1 N2 95.91(8) . . ?
O3 Dy1 N8 164.17(8) . . ?
O3 Dy1 N9 84.30(8) . . ?
O8 Dy1 Dy2 158.90(6) . . ?
O8 Dy1 O12 85.77(8) . . ?
O8 Dy1 N1 72.40(8) . . ?
O8 Dy1 N2 70.78(8) . . ?
O8 Dy1 N8 26.29(8) . . ?
O8 Dy1 N9 75.42(8) . . ?
O9 Dy1 Dy2 107.48(6) . . ?
O9 Dy1 O8 52.09(8) . . ?
O9 Dy1 O11 118.85(8) . . ?
O9 Dy1 O12 128.97(8) . . ?
O9 Dy1 N1 69.90(9) . . ?
O9 Dy1 N2 71.60(9) . . ?
O9 Dy1 N8 25.80(8) . . ?
O9 Dy1 N9 127.08(8) . . ?
O11 Dy1 Dy2 126.99(5) . . ?
O11 Dy1 O8 69.50(8) . . ?
O11 Dy1 O12 51.47(8) . . ?
O11 Dy1 N1 111.02(8) . . ?
O11 Dy1 N2 73.97(9) . . ?
O11 Dy1 N8 94.38(9) . . ?
O11 Dy1 N9 25.80(8) . . ?
O12 Dy1 Dy2 114.56(6) . . ?
O12 Dy1 N1 70.71(8) . . ?
O12 Dy1 N2 125.33(9) . . ?
O12 Dy1 N8 108.34(9) . . ?
O12 Dy1 N9 25.72(9) . . ?
N1 Dy1 Dy2 107.82(6) . . ?
N1 Dy1 N2 137.85(9) . . ?
N1 Dy1 N8 69.17(9) . . ?
N1 Dy1 N9 90.23(9) . . ?
N2 Dy1 Dy2 99.45(6) . . ?
N2 Dy1 N8 68.72(9) . . ?
N2 Dy1 N9 99.63(10) . . ?
N8 Dy1 Dy2 133.07(7) . . ?
N8 Dy1 N9 101.54(9) . . ?
N9 Dy1 Dy2 125.38(6) . . ?
Dy1 Dy2 Dy3 149.774(6) . . ?
O1 Dy2 Dy1 41.40(5) . . ?
O1 Dy2 Dy3 112.45(5) . . ?
O1 Dy2 O3 68.84(7) . . ?
O1 Dy2 O4 153.08(7) . . ?
O1 Dy2 O5 87.66(7) . . ?
O1 Dy2 O6 89.33(7) . . ?
O1 Dy2 N3 107.45(8) . . ?
O1 Dy2 N4 139.77(8) . . ?
O2 Dy2 Dy1 41.85(5) . . ?
O2 Dy2 Dy3 127.43(5) . . ?
O2 Dy2 O1 70.56(8) . . ?
O2 Dy2 O3 69.99(8) . . ?
O2 Dy2 O4 119.86(7) . . ?
O2 Dy2 O5 148.23(7) . . ?
O2 Dy2 O6 86.85(8) . . ?
O2 Dy2 N3 132.78(8) . . ?
O2 Dy2 N4 79.96(8) . . ?
O3 Dy2 Dy1 40.79(5) . . ?
O3 Dy2 Dy3 162.47(6) . . ?
O3 Dy2 N3 66.06(8) . . ?
O3 Dy2 N4 75.78(8) . . ?
O4 Dy2 Dy1 160.28(6) . . ?
O4 Dy2 Dy3 40.79(5) . . ?
O4 Dy2 O3 137.09(7) . . ?
O4 Dy2 O5 71.44(7) . . ?
O4 Dy2 O6 67.86(7) . . ?
O4 Dy2 N3 83.87(8) . . ?
O4 Dy2 N4 66.39(8) . . ?
O5 Dy2 Dy1 127.65(5) . . ?
O5 Dy2 Dy3 40.62(5) . . ?
O5 Dy2 O3 124.13(8) . . ?
O5 Dy2 O6 69.55(7) . . ?
O5 Dy2 N3 74.98(8) . . ?
O5 Dy2 N4 129.09(8) . . ?
O6 Dy2 Dy1 111.36(5) . . ?
O6 Dy2 Dy3 42.46(5) . . ?
O6 Dy2 O3 152.14(7) . . ?
O6 Dy2 N3 139.95(8) . . ?
O6 Dy2 N4 116.28(8) . . ?
N3 Dy2 Dy1 104.72(6) . . ?
N3 Dy2 Dy3 97.76(6) . . ?
N3 Dy2 N4 73.45(9) . . ?
N4 Dy2 Dy1 98.60(6) . . ?
N4 Dy2 Dy3 107.10(6) . . ?
O4 Dy3 Dy2 40.73(5) . . ?
O4 Dy3 O6 67.10(7) . . ?
O4 Dy3 O14 78.21(8) . . ?
O4 Dy3 N5 130.99(8) . . ?
O4 Dy3 N6 132.18(9) . . ?
O4 Dy3 N7 81.93(8) . . ?
O5 Dy3 Dy2 40.71(6) . . ?
O5 Dy3 O4 71.45(7) . . ?
O5 Dy3 O6 68.88(7) . . ?
O5 Dy3 O14 88.62(7) . . ?
O5 Dy3 N5 65.40(8) . . ?
O5 Dy3 N6 101.57(8) . . ?
O5 Dy3 N7 143.29(9) . . ?
O6 Dy3 Dy2 41.53(5) . . ?
O6 Dy3 N5 114.64(8) . . ?
O6 Dy3 N6 66.47(8) . . ?
O6 Dy3 N7 77.78(8) . . ?
O7 Dy3 Dy2 168.73(6) . . ?
O7 Dy3 O4 128.93(7) . . ?
O7 Dy3 O5 148.95(8) . . ?
O7 Dy3 O6 136.98(8) . . ?
O7 Dy3 O14 75.68(8) . . ?
O7 Dy3 N5 85.09(8) . . ?
O7 Dy3 N6 81.35(8) . . ?
O7 Dy3 N7 67.75(9) . . ?
O14 Dy3 Dy2 102.65(6) . . ?
O14 Dy3 O6 142.98(8) . . ?
O14 Dy3 N5 78.62(8) . . ?
O14 Dy3 N6 149.59(9) . . ?
O14 Dy3 N7 110.59(8) . . ?
N5 Dy3 Dy2 105.63(6) . . ?
N6 Dy3 Dy2 103.65(7) . . ?
N6 Dy3 N5 79.81(9) . . ?
N7 Dy3 Dy2 103.12(7) . . ?
N7 Dy3 N5 146.93(9) . . ?
N7 Dy3 N6 77.83(9) . . ?
Dy1 O1 Dy2 97.15(8) . . ?
C8 O1 Dy1 120.66(19) . . ?
C8 O1 Dy2 136.33(19) . . ?
Dy2 O2 Dy1 97.38(8) . . ?
C17 O2 Dy1 122.5(2) . . ?
C17 O2 Dy2 136.37(19) . . ?
Dy1 O3 Dy2 96.11(8) . . ?
C26 O3 Dy1 144.52(19) . . ?
C26 O3 Dy2 119.24(18) . . ?
Dy2 O4 Dy3 98.48(7) . . ?
C35 O4 Dy2 121.22(19) . . ?
C35 O4 Dy3 139.13(19) . . ?
Dy3 O5 Dy2 98.67(8) . . ?
C44 O5 Dy2 136.3(2) . . ?
C44 O5 Dy3 124.8(2) . . ?
Dy2 O6 Dy3 96.01(8) . . ?
C53 O6 Dy2 134.22(18) . . ?
C53 O6 Dy3 120.4(2) . . ?
C62 O7 Dy3 120.6(2) . . ?
N8 O8 Dy1 95.2(2) . . ?
N8 O9 Dy1 96.0(2) . . ?
N9 O11 Dy1 96.9(2) . . ?
N9 O12 Dy1 95.8(2) . . ?
Dy3 O14 H14A 110.2 . . ?
Dy3 O14 H14B 109.3 . . ?
H14A O14 H14B 103.8 . . ?
C1 N1 Dy1 127.8(2) . . ?
C1 N1 C9 117.3(3) . . ?
C9 N1 Dy1 113.59(19) . . ?
C10 N2 Dy1 126.9(2) . . ?
C10 N2 C18 116.6(3) . . ?
C18 N2 Dy1 114.3(2) . . ?
C19 N3 Dy2 125.4(2) . . ?
C19 N3 C27 118.4(3) . . ?
C27 N3 Dy2 115.3(2) . . ?
C28 N4 Dy2 126.5(2) . . ?
C28 N4 C36 118.2(3) . . ?
C36 N4 Dy2 113.9(2) . . ?
C37 N5 Dy3 128.9(2) . . ?
C37 N5 C45 116.3(3) . . ?
C45 N5 Dy3 114.8(2) . . ?
C46 N6 Dy3 124.6(3) . . ?
C46 N6 C54 117.6(3) . . ?
C54 N6 Dy3 117.8(2) . . ?
C55 N7 Dy3 125.7(2) . . ?
C55 N7 C63 117.7(3) . . ?
C63 N7 Dy3 116.4(2) . . ?
O8 N8 Dy1 58.50(17) . . ?
O9 N8 Dy1 58.22(17) . . ?
O9 N8 O8 116.7(3) . . ?
O10 N8 Dy1 179.8(3) . . ?
O10 N8 O8 121.3(3) . . ?
O10 N8 O9 122.0(3) . . ?
O11 N9 Dy1 57.33(17) . . ?
O12 N9 Dy1 58.50(18) . . ?
O12 N9 O11 115.7(3) . . ?
O13 N9 Dy1 176.7(2) . . ?
O13 N9 O11 121.6(4) . . ?
O13 N9 O12 122.7(4) . . ?
N1 C1 H1 118.1 . . ?
N1 C1 C2 123.8(3) . . ?
C2 C1 H1 118.1 . . ?
C1 C2 H2 120.4 . . ?
C3 C2 C1 119.1(3) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0(3) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 123.8(3) . . ?
C3 C4 C9 117.2(3) . . ?
C9 C4 C5 119.0(3) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 C4 119.5(3) . . ?
C6 C5 H5 120.3 . . ?
C5 C6 H6 119.1 . . ?
C5 C6 C7 121.8(3) . . ?
C7 C6 H6 119.1 . . ?
C6 C7 H7 119.5 . . ?
C8 C7 C6 121.0(3) . . ?
C8 C7 H7 119.5 . . ?
O1 C8 C7 123.9(3) . . ?
O1 C8 C9 118.2(3) . . ?
C7 C8 C9 117.9(3) . . ?
N1 C9 C4 122.5(3) . . ?
N1 C9 C8 116.7(3) . . ?
C4 C9 C8 120.8(3) . . ?
N2 C10 H10 117.7 . . ?
N2 C10 C11 124.6(4) . . ?
C11 C10 H10 117.7 . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 119.0(4) . . ?
C12 C11 H11 120.5 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0(4) . . ?
C13 C12 H12 120.0 . . ?
C14 C13 C12 124.4(4) . . ?
C18 C13 C12 116.6(3) . . ?
C18 C13 C14 119.0(3) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.1(4) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.1(3) . . ?
C16 C15 H15 119.4 . . ?
C15 C16 H16 119.3 . . ?
C17 C16 C15 121.3(4) . . ?
C17 C16 H16 119.3 . . ?
O2 C17 C16 124.1(3) . . ?
O2 C17 C18 117.9(3) . . ?
C16 C17 C18 118.0(3) . . ?
N2 C18 C13 123.2(3) . . ?
N2 C18 C17 116.4(3) . . ?
C13 C18 C17 120.4(3) . . ?
N3 C19 H19 118.0 . . ?
N3 C19 C20 124.1(3) . . ?
C20 C19 H19 118.0 . . ?
C19 C20 H20 120.6 . . ?
C21 C20 C19 118.8(3) . . ?
C21 C20 H20 120.6 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 119.9(3) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C23 123.8(3) . . ?
C21 C22 C27 116.9(3) . . ?
C23 C22 C27 119.3(3) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 C22 119.2(3) . . ?
C24 C23 H23 120.4 . . ?
C23 C24 H24 119.0 . . ?
C23 C24 C25 122.0(3) . . ?
C25 C24 H24 119.0 . . ?
C24 C25 H25 119.3 . . ?
C26 C25 C24 121.4(3) . . ?
C26 C25 H25 119.3 . . ?
O3 C26 C25 124.4(3) . . ?
O3 C26 C27 118.1(3) . . ?
C25 C26 C27 117.6(3) . . ?
N3 C27 C22 121.9(3) . . ?
N3 C27 C26 117.7(3) . . ?
C22 C27 C26 120.5(3) . . ?
N4 C28 H28 118.3 . . ?
N4 C28 C29 123.4(3) . . ?
C29 C28 H28 118.3 . . ?
C28 C29 H29 120.6 . . ?
C30 C29 C28 118.9(3) . . ?
C30 C29 H29 120.6 . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.2(3) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 C32 123.6(3) . . ?
C30 C31 C36 117.3(3) . . ?
C32 C31 C36 119.0(3) . . ?
C31 C32 H32 120.3 . . ?
C33 C32 C31 119.5(3) . . ?
C33 C32 H32 120.3 . . ?
C32 C33 H33 119.2 . . ?
C32 C33 C34 121.7(3) . . ?
C34 C33 H33 119.2 . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.5(3) . . ?
C35 C34 H34 119.7 . . ?
O4 C35 C34 123.4(3) . . ?
O4 C35 C36 118.2(3) . . ?
C34 C35 C36 118.4(3) . . ?
N4 C36 C31 122.0(3) . . ?
N4 C36 C35 117.2(3) . . ?
C31 C36 C35 120.7(3) . . ?
N5 C37 H37 117.6 . . ?
N5 C37 C38 124.8(4) . . ?
C38 C37 H37 117.6 . . ?
C37 C38 H38 120.5 . . ?
C39 C38 C37 119.0(4) . . ?
C39 C38 H38 120.5 . . ?
C38 C39 H39 120.1 . . ?
C38 C39 C40 119.7(4) . . ?
C40 C39 H39 120.1 . . ?
C39 C40 C41 123.5(4) . . ?
C39 C40 C45 117.3(3) . . ?
C41 C40 C45 119.2(3) . . ?
C40 C41 H41 120.3 . . ?
C42 C41 C40 119.5(4) . . ?
C42 C41 H41 120.3 . . ?
C41 C42 H42 118.9 . . ?
C41 C42 C43 122.2(3) . . ?
C43 C42 H42 118.9 . . ?
C42 C43 H43 119.6 . . ?
C44 C43 C42 120.7(3) . . ?
C44 C43 H43 119.6 . . ?
O5 C44 C43 123.8(3) . . ?
O5 C44 C45 118.1(3) . . ?
C43 C44 C45 118.1(3) . . ?
N5 C45 C40 122.9(3) . . ?
N5 C45 C44 116.7(3) . . ?
C40 C45 C44 120.4(3) . . ?
N6 C46 H46 117.8 . . ?
N6 C46 C47 124.3(4) . . ?
C47 C46 H46 117.8 . . ?
C46 C47 H47 120.9 . . ?
C48 C47 C46 118.1(4) . . ?
C48 C47 H47 120.9 . . ?
C47 C48 H48 119.6 . . ?
C47 C48 C49 120.7(3) . . ?
C49 C48 H48 119.6 . . ?
C48 C49 C50 123.9(3) . . ?
C48 C49 C54 117.0(3) . . ?
C54 C49 C50 119.1(3) . . ?
C49 C50 H50 120.4 . . ?
C51 C50 C49 119.1(3) . . ?
C51 C50 H50 120.4 . . ?
C50 C51 H51 118.7 . . ?
C50 C51 C52 122.6(3) . . ?
C52 C51 H51 118.7 . . ?
C51 C52 H52 120.0 . . ?
C53 C52 C51 120.1(3) . . ?
C53 C52 H52 120.0 . . ?
O6 C53 C52 123.3(3) . . ?
O6 C53 C54 118.1(3) . . ?
C52 C53 C54 118.6(3) . . ?
N6 C54 C49 122.2(3) . . ?
N6 C54 C53 117.3(3) . . ?
C49 C54 C53 120.4(3) . . ?
N7 C55 H55 118.2 . . ?
N7 C55 C56 123.6(3) . . ?
C56 C55 H55 118.2 . . ?
C55 C56 H56 120.2 . . ?
C57 C56 C55 119.5(4) . . ?
C57 C56 H56 120.2 . . ?
C56 C57 H57 120.0 . . ?
C56 C57 C58 120.1(4) . . ?
C58 C57 H57 120.0 . . ?
C57 C58 C63 116.9(3) . . ?
C59 C58 C57 124.6(4) . . ?
C59 C58 C63 118.5(4) . . ?
C58 C59 H59 120.4 . . ?
C60 C59 C58 119.3(4) . . ?
C60 C59 H59 120.4 . . ?
C59 C60 H60 118.7 . . ?
C59 C60 C61 122.7(4) . . ?
C61 C60 H60 118.7 . . ?
C60 C61 H61 119.8 . . ?
C62 C61 C60 120.3(4) . . ?
C62 C61 H61 119.8 . . ?
O7 C62 C61 123.5(4) . . ?
O7 C62 C63 119.3(3) . . ?
C61 C62 C63 117.2(3) . . ?
N7 C63 C58 122.1(3) . . ?
N7 C63 C62 115.9(3) . . ?
C62 C63 C58 122.0(3) . . ?
N11 C66 C67 177.4(8) . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
N12 C68 C69 178.9(14) . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N10 C64 C65 177.6(5) . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C8 C7 -163.4(3) . . . . ?
Dy1 O1 C8 C9 15.9(4) . . . . ?
Dy1 O2 C17 C16 162.4(2) . . . . ?
Dy1 O2 C17 C18 -16.2(4) . . . . ?
Dy1 O3 C26 C25 23.8(6) . . . . ?
Dy1 O3 C26 C27 -157.4(2) . . . . ?
Dy1 O8 N8 O9 -1.0(3) . . . . ?
Dy1 O8 N8 O10 -180.0(3) . . . . ?
Dy1 O9 N8 O8 1.0(3) . . . . ?
Dy1 O9 N8 O10 179.9(3) . . . . ?
Dy1 O11 N9 O12 -4.1(3) . . . . ?
Dy1 O11 N9 O13 176.3(3) . . . . ?
Dy1 O12 N9 O11 4.0(3) . . . . ?
Dy1 O12 N9 O13 -176.4(3) . . . . ?
Dy1 N1 C1 C2 -163.6(3) . . . . ?
Dy1 N1 C9 C4 164.8(3) . . . . ?
Dy1 N1 C9 C8 -16.4(4) . . . . ?
Dy1 N2 C10 C11 162.0(3) . . . . ?
Dy1 N2 C18 C13 -163.9(3) . . . . ?
Dy1 N2 C18 C17 14.4(4) . . . . ?
Dy2 O1 C8 C7 -17.2(5) . . . . ?
Dy2 O1 C8 C9 162.0(2) . . . . ?
Dy2 O2 C17 C16 -44.7(5) . . . . ?
Dy2 O2 C17 C18 136.7(3) . . . . ?
Dy2 O3 C26 C25 -161.8(3) . . . . ?
Dy2 O3 C26 C27 17.0(4) . . . . ?
Dy2 O4 C35 C34 -169.6(3) . . . . ?
Dy2 O4 C35 C36 12.3(4) . . . . ?
Dy2 O5 C44 C43 10.2(5) . . . . ?
Dy2 O5 C44 C45 -168.7(2) . . . . ?
Dy2 O6 C53 C52 -40.6(4) . . . . ?
Dy2 O6 C53 C54 137.7(2) . . . . ?
Dy2 N3 C19 C20 -167.4(2) . . . . ?
Dy2 N3 C27 C22 165.8(2) . . . . ?
Dy2 N3 C27 C26 -13.1(4) . . . . ?
Dy2 N4 C28 C29 -162.7(3) . . . . ?
Dy2 N4 C36 C31 165.6(3) . . . . ?
Dy2 N4 C36 C35 -14.8(4) . . . . ?
Dy3 O4 C35 C34 -5.0(5) . . . . ?
Dy3 O4 C35 C36 176.9(2) . . . . ?
Dy3 O5 C44 C43 -177.7(2) . . . . ?
Dy3 O5 C44 C45 3.4(4) . . . . ?
Dy3 O6 C53 C52 -178.3(2) . . . . ?
Dy3 O6 C53 C54 -0.1(4) . . . . ?
Dy3 O7 C62 C61 177.4(3) . . . . ?
Dy3 O7 C62 C63 -1.9(4) . . . . ?
Dy3 N5 C37 C38 -176.5(3) . . . . ?
Dy3 N5 C45 C40 177.0(3) . . . . ?
Dy3 N5 C45 C44 -4.1(4) . . . . ?
Dy3 N6 C46 C47 -176.5(3) . . . . ?
Dy3 N6 C54 C49 175.4(2) . . . . ?
Dy3 N6 C54 C53 -1.8(4) . . . . ?
Dy3 N7 C55 C56 175.4(2) . . . . ?
Dy3 N7 C63 C58 -178.1(3) . . . . ?
Dy3 N7 C63 C62 2.2(4) . . . . ?
O1 C8 C9 N1 1.9(5) . . . . ?
O1 C8 C9 C4 -179.3(3) . . . . ?
O2 C17 C18 N2 -0.5(5) . . . . ?
O2 C17 C18 C13 177.8(3) . . . . ?
O3 C26 C27 N3 -1.8(4) . . . . ?
O3 C26 C27 C22 179.3(3) . . . . ?
O4 C35 C36 N4 3.0(5) . . . . ?
O4 C35 C36 C31 -177.4(3) . . . . ?
O5 C44 C45 N5 1.0(5) . . . . ?
O5 C44 C45 C40 179.9(3) . . . . ?
O6 C53 C54 N6 1.3(4) . . . . ?
O6 C53 C54 C49 -176.0(3) . . . . ?
O7 C62 C63 N7 -0.3(5) . . . . ?
O7 C62 C63 C58 180.0(3) . . . . ?
N1 C1 C2 C3 -0.2(6) . . . . ?
N2 C10 C11 C12 -0.5(7) . . . . ?
N3 C19 C20 C21 1.5(5) . . . . ?
N4 C28 C29 C30 -1.8(6) . . . . ?
N5 C37 C38 C39 0.3(7) . . . . ?
N6 C46 C47 C48 0.1(6) . . . . ?
N7 C55 C56 C57 1.5(5) . . . . ?
C1 N1 C9 C4 -3.1(5) . . . . ?
C1 N1 C9 C8 175.7(3) . . . . ?
C1 C2 C3 C4 -1.3(6) . . . . ?
C2 C3 C4 C5 -178.3(4) . . . . ?
C2 C3 C4 C9 0.6(6) . . . . ?
C3 C4 C5 C6 177.6(4) . . . . ?
C3 C4 C9 N1 1.7(5) . . . . ?
C3 C4 C9 C8 -177.1(3) . . . . ?
C4 C5 C6 C7 -1.3(6) . . . . ?
C5 C4 C9 N1 -179.4(3) . . . . ?
C5 C4 C9 C8 1.8(5) . . . . ?
C5 C6 C7 C8 3.2(6) . . . . ?
C6 C7 C8 O1 176.8(3) . . . . ?
C6 C7 C8 C9 -2.5(5) . . . . ?
C7 C8 C9 N1 -178.8(3) . . . . ?
C7 C8 C9 C4 0.0(5) . . . . ?
C9 N1 C1 C2 2.4(6) . . . . ?
C9 C4 C5 C6 -1.2(6) . . . . ?
C10 N2 C18 C13 0.7(5) . . . . ?
C10 N2 C18 C17 179.0(3) . . . . ?
C10 C11 C12 C13 1.1(6) . . . . ?
C11 C12 C13 C14 -179.8(4) . . . . ?
C11 C12 C13 C18 -0.8(6) . . . . ?
C12 C13 C14 C15 179.0(4) . . . . ?
C12 C13 C18 N2 -0.2(5) . . . . ?
C12 C13 C18 C17 -178.3(3) . . . . ?
C13 C14 C15 C16 -0.5(6) . . . . ?
C14 C13 C18 N2 179.0(3) . . . . ?
C14 C13 C18 C17 0.8(5) . . . . ?
C14 C15 C16 C17 0.4(5) . . . . ?
C15 C16 C17 O2 -178.3(3) . . . . ?
C15 C16 C17 C18 0.3(5) . . . . ?
C16 C17 C18 N2 -179.2(3) . . . . ?
C16 C17 C18 C13 -0.9(5) . . . . ?
C18 N2 C10 C11 -0.4(6) . . . . ?
C18 C13 C14 C15 -0.1(6) . . . . ?
C19 N3 C27 C22 -3.6(5) . . . . ?
C19 N3 C27 C26 177.5(3) . . . . ?
C19 C20 C21 C22 -0.8(5) . . . . ?
C20 C21 C22 C23 179.3(4) . . . . ?
C20 C21 C22 C27 -1.9(5) . . . . ?
C21 C22 C23 C24 178.2(3) . . . . ?
C21 C22 C27 N3 4.1(5) . . . . ?
C21 C22 C27 C26 -177.0(3) . . . . ?
C22 C23 C24 C25 -0.7(6) . . . . ?
C23 C22 C27 N3 -177.0(3) . . . . ?
C23 C22 C27 C26 1.8(5) . . . . ?
C23 C24 C25 C26 0.8(6) . . . . ?
C24 C25 C26 O3 179.3(3) . . . . ?
C24 C25 C26 C27 0.5(5) . . . . ?
C25 C26 C27 N3 177.1(3) . . . . ?
C25 C26 C27 C22 -1.8(5) . . . . ?
C27 N3 C19 C20 0.7(5) . . . . ?
C27 C22 C23 C24 -0.6(5) . . . . ?
C28 N4 C36 C31 -1.8(5) . . . . ?
C28 N4 C36 C35 177.7(3) . . . . ?
C28 C29 C30 C31 -0.6(6) . . . . ?
C29 C30 C31 C32 -176.8(4) . . . . ?
C29 C30 C31 C36 1.6(6) . . . . ?
C30 C31 C32 C33 176.7(4) . . . . ?
C30 C31 C36 N4 -0.4(5) . . . . ?
C30 C31 C36 C35 -179.9(3) . . . . ?
C31 C32 C33 C34 1.8(6) . . . . ?
C32 C31 C36 N4 178.0(3) . . . . ?
C32 C31 C36 C35 -1.5(5) . . . . ?
C32 C33 C34 C35 1.1(6) . . . . ?
C33 C34 C35 O4 177.7(3) . . . . ?
C33 C34 C35 C36 -4.2(5) . . . . ?
C34 C35 C36 N4 -175.2(3) . . . . ?
C34 C35 C36 C31 4.4(5) . . . . ?
C36 N4 C28 C29 3.0(6) . . . . ?
C36 C31 C32 C33 -1.6(6) . . . . ?
C37 N5 C45 C40 -0.1(5) . . . . ?
C37 N5 C45 C44 178.8(3) . . . . ?
C37 C38 C39 C40 -0.5(7) . . . . ?
C38 C39 C40 C41 -178.3(4) . . . . ?
C38 C39 C40 C45 0.4(6) . . . . ?
C39 C40 C41 C42 178.6(4) . . . . ?
C39 C40 C45 N5 -0.1(5) . . . . ?
C39 C40 C45 C44 -179.0(4) . . . . ?
C40 C41 C42 C43 -0.4(6) . . . . ?
C41 C40 C45 N5 178.6(3) . . . . ?
C41 C40 C45 C44 -0.3(5) . . . . ?
C41 C42 C43 C44 1.1(5) . . . . ?
C42 C43 C44 O5 179.7(3) . . . . ?
C42 C43 C44 C45 -1.3(5) . . . . ?
C43 C44 C45 N5 -178.0(3) . . . . ?
C43 C44 C45 C40 0.9(5) . . . . ?
C45 N5 C37 C38 0.0(6) . . . . ?
C45 C40 C41 C42 0.0(6) . . . . ?
C46 N6 C54 C49 -3.1(5) . . . . ?
C46 N6 C54 C53 179.7(3) . . . . ?
C46 C47 C48 C49 -1.0(6) . . . . ?
C47 C48 C49 C50 -179.5(4) . . . . ?
C47 C48 C49 C54 -0.1(5) . . . . ?
C48 C49 C50 C51 179.4(4) . . . . ?
C48 C49 C54 N6 2.2(5) . . . . ?
C48 C49 C54 C53 179.4(3) . . . . ?
C49 C50 C51 C52 0.1(6) . . . . ?
C50 C49 C54 N6 -178.4(3) . . . . ?
C50 C49 C54 C53 -1.2(5) . . . . ?
C50 C51 C52 C53 1.0(5) . . . . ?
C51 C52 C53 O6 176.1(3) . . . . ?
C51 C52 C53 C54 -2.1(5) . . . . ?
C52 C53 C54 N6 179.6(3) . . . . ?
C52 C53 C54 C49 2.3(5) . . . . ?
C54 N6 C46 C47 1.9(5) . . . . ?
C54 C49 C50 C51 0.0(5) . . . . ?
C55 N7 C63 C58 -3.2(5) . . . . ?
C55 N7 C63 C62 177.2(3) . . . . ?
C55 C56 C57 C58 -1.7(5) . . . . ?
C56 C57 C58 C59 -179.2(4) . . . . ?
C56 C57 C58 C63 -0.4(5) . . . . ?
C57 C58 C59 C60 176.6(4) . . . . ?
C57 C58 C63 N7 2.9(5) . . . . ?
C57 C58 C63 C62 -177.4(3) . . . . ?
C58 C59 C60 C61 0.8(8) . . . . ?
C59 C58 C63 N7 -178.2(3) . . . . ?
C59 C58 C63 C62 1.4(5) . . . . ?
C59 C60 C61 C62 1.3(8) . . . . ?
C60 C61 C62 O7 178.7(4) . . . . ?
C60 C61 C62 C63 -2.0(6) . . . . ?
C61 C62 C63 N7 -179.7(3) . . . . ?
C61 C62 C63 C58 0.6(5) . . . . ?
C63 N7 C55 C56 1.0(5) . . . . ?
C63 C58 C59 C60 -2.1(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_STOE_detector_distance          '60.0 mm'
_STOE_detector_pixelsize_x       '0.075 mm'
_STOE_detector_pixelsize_y       '0.075 mm'
_STOE_detector_size_x            '8.0 cm'
_STOE_detector_size_y            '7.7 cm'
_STOE_evaluation_integration_A   8.0
_STOE_evaluation_integration_B   0.1
_STOE_evaluation_integration_EMS 0.011
_STOE_evaluation_LANA_BIS_l_even_max -
_STOE_evaluation_LANA_BIS_l_odd_max -
_STOE_evaluation_LANA_BOS_l_even_max 4
_STOE_evaluation_LANA_BOS_l_odd_max 1
_STOE_evaluation_LANA_completeness 91.1
_STOE_evaluation_LANA_DXS_max_order -
_STOE_evaluation_LANA_DYS_max_order -
_STOE_evaluation_LANA_FS_max_order 3
_STOE_evaluation_LANA_max_2theta_available 65.3
_STOE_evaluation_LANA_max_2theta_desired 65.3
_STOE_evaluation_LANA_mean_redundancy 2.6
_STOE_evaluation_LANA_number_refls_after_OR 57075
_STOE_evaluation_LANA_number_refls_outliers 3737
_STOE_evaluation_LANA_number_refls_total 60812
_STOE_evaluation_LANA_number_refls_unique 21792
_STOE_evaluation_LANA_number_refls_written 57075
_STOE_evaluation_LANA_OR_c1      0.035
_STOE_evaluation_LANA_OR_c2      0
_STOE_evaluation_LANA_OR_c3      0
_STOE_evaluation_LANA_OR_c4      0.7
_STOE_evaluation_LANA_point_group -1
_STOE_evaluation_LANA_table      
;
#----------------------------------------------------------------------------
2Theta           5.1   12.3   19.5   26.7   33.9   41.1   48.3   55.5   62.7
#----------------------------------------------------------------------------
<Resolution>    6.07   3.13   2.04   1.54   1.21   1.01   0.87   0.76   0.70
N(total)         348   1497   3557   4945   7186  10502  12587  13319   6871
<Redundancy>     3.8    3.6    3.7    3.0    2.8    3.0    2.7    2.4    1.9
Complet. [%%]   100.0  100.0   99.9   96.9   98.8   99.9   99.9   99.5   64.2
<I/sigma>       63.6   39.9   26.8   18.5    9.8    6.1    3.5    1.9    1.0
R(int)         0.014  0.013  0.016  0.019  0.030  0.042  0.067  0.113  0.199
#----------------------------------------------------------------------------
;
_STOE_measurement_identifier     EM-Dy
_STOE_measurement_max_exposure_per_frame '2.0 s'
_STOE_measurement_mean_exposure_per_frame '2.0 s'
_STOE_measurement_min_exposure_per_frame '2.0 s'
_STOE_measurement_total_exposure_time '28 min'
_STOE_measurement_total_frame_number 854
_STOE_measurement_total_run_number 14
_STOE_measurement_tube_power     '49.8 W'
