# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_Compound8
_database_code_depnum_ccdc_archive 'CCDC 1844133'
_audit_update_record             
;
2018-05-18 deposited with the CCDC.
2018-08-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014


_chemical_name_systematic        
{[(N,N'-dimethylformamide)-tris(3-(9,10-dioxoanthracenyl}aminopropanoate)dysprosium(III)]}
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H43 Dy N4 O13'
_chemical_formula_sum            'C54 H43 Dy N4 O13'
_chemical_formula_weight         1118.42

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'
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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.1575(4)
_cell_length_b                   17.4805(8)
_cell_length_c                   17.9640(6)
_cell_angle_alpha                62.669(2)
_cell_angle_beta                 80.922(3)
_cell_angle_gamma                88.786(2)
_cell_volume                     2243.32(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    35957
_cell_measurement_theta_min      2.230
_cell_measurement_theta_max      28.729


_exptl_crystal_description       'rectangular plate'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_F_000             1130
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    1.743
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5542
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   
;
SADABS 2014/5, Program for Empirical Adsorption Correction, 
Institute for Inorganic Chemistry, University of Gottingen: Germany, 
1996Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
;
_exptl_special_details           
;
 The following wavelength and cell were deduced by SADABS from the
 direction cosines etc. They are given here for emergency use only:
 CELL 0.71117    8.153   17.471   17.969   62.639   81.020   88.827
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Venture'
_diffrn_measurement_method       ω
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            35957
_diffrn_reflns_av_unetI/netI     0.1132
_diffrn_reflns_av_R_equivalents  0.1010
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.230
_diffrn_reflns_theta_max         28.729
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             11422
_reflns_number_gt                8751
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Crystal structure contains disordered lattice actenotrile molecules that could not be correctly
refined. Therefore, they were removed from the structure and SQUEEZE routine was applied to 
subtract the corresponding electron density and the refinement converged correctly.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0550P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11421
_refine_ls_number_parameters     651
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0513
_refine_ls_wR_factor_ref         0.1230
_refine_ls_wR_factor_gt          0.1119
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_restrained_S_all      0.987
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.74718(2) 0.47250(2) 0.02046(2) 0.01363(7) Uani 1 1 d . . . . .
C1A C 0.3825(6) 0.0654(3) 0.0469(4) 0.0287(11) Uani 1 1 d . . . . .
C1B C 0.7799(6) 0.4516(4) -0.4206(4) 0.0295(12) Uani 1 1 d . . . . .
C1C C 0.6179(6) 0.9092(3) -0.5265(3) 0.0228(10) Uani 1 1 d . . . . .
C2A C 0.2888(6) -0.0188(3) 0.1093(4) 0.0319(12) Uani 1 1 d . . . . .
C2B C 0.6992(7) 0.4205(4) -0.4717(4) 0.0328(13) Uani 1 1 d . . . . .
C2C C 0.6516(6) 0.9744(3) -0.6184(3) 0.0252(11) Uani 1 1 d . . . . .
C2D C 0.9466(5) 0.2922(3) 0.1124(3) 0.0228(10) Uani 1 1 d . . . . .
H2D H 0.9616 0.2886 0.1641 0.027 Uiso 1 1 calc R U . . .
C3A C 0.2933(8) -0.0492(4) 0.1955(4) 0.0442(15) Uani 1 1 d . . . . .
H3A H 0.3506 -0.0171 0.2137 0.053 Uiso 1 1 calc R U . . .
C3B C 0.6437(7) 0.3337(5) -0.4341(5) 0.0453(16) Uani 1 1 d . . . . .
H3B H 0.6577 0.2968 -0.3786 0.054 Uiso 1 1 calc R U . . .
C3C C 0.8158(7) 0.9903(3) -0.6612(3) 0.0314(12) Uani 1 1 d . . . . .
H3C H 0.9016 0.9619 -0.6326 0.038 Uiso 1 1 calc R U . . .
C4A C 0.2116(9) -0.1273(5) 0.2538(4) 0.0565(19) Uani 1 1 d . . . . .
H4A H 0.2120 -0.1472 0.3115 0.068 Uiso 1 1 calc R U . . .
C4B C 0.5679(8) 0.3027(6) -0.4795(5) 0.057(2) Uani 1 1 d . . . . .
H4B H 0.5320 0.2448 -0.4548 0.068 Uiso 1 1 calc R U . . .
C4C C 0.8494(7) 1.0493(4) -0.7475(4) 0.0379(14) Uani 1 1 d . . . . .
H4C H 0.9582 1.0592 -0.7764 0.045 Uiso 1 1 calc R U . . .
C4D C 1.0482(9) 0.2613(4) -0.0034(4) 0.0521(18) Uani 1 1 d . . . . .
H4D1 H 0.9522 0.2908 -0.0251 0.078 Uiso 1 1 d R U . . .
H4D2 H 1.0413 0.2037 0.0028 0.078 Uiso 1 1 d R U . . .
H4D3 H 1.1470 0.2920 -0.0423 0.078 Uiso 1 1 d R U . . .
C5A C 0.1288(8) -0.1767(4) 0.2271(5) 0.055(2) Uani 1 1 d . . . . .
H5A H 0.0789 -0.2305 0.2664 0.066 Uiso 1 1 calc R U . . .
C5B C 0.5458(8) 0.3581(6) -0.5617(6) 0.063(2) Uani 1 1 d . . . . .
H5B H 0.4929 0.3373 -0.5916 0.075 Uiso 1 1 calc R U . . .
C5C C 0.7261(8) 1.0924(4) -0.7899(4) 0.0379(14) Uani 1 1 d . . . . .
H5C H 0.7513 1.1315 -0.8474 0.045 Uiso 1 1 calc R U . . .
C5D C 1.1950(7) 0.2136(4) 0.1190(5) 0.063(2) Uani 1 1 d . . . . .
H5D1 H 1.1842 0.2113 0.1741 0.094 Uiso 1 1 d R U . . .
H5D2 H 1.2974 0.2450 0.0849 0.094 Uiso 1 1 d R U . . .
H5D3 H 1.1957 0.1559 0.1252 0.094 Uiso 1 1 d R U . . .
C6A C 0.1212(7) -0.1460(4) 0.1435(5) 0.0459(16) Uani 1 1 d . . . . .
H6A H 0.0633 -0.1787 0.1262 0.055 Uiso 1 1 calc R U . . .
C6B C 0.6004(8) 0.4427(6) -0.5996(5) 0.057(2) Uani 1 1 d . . . . .
H6B H 0.5858 0.4789 -0.6551 0.068 Uiso 1 1 calc R U . . .
C6C C 0.5642(8) 1.0787(3) -0.7487(3) 0.0342(13) Uani 1 1 d . . . . .
H6C H 0.4808 1.1090 -0.7781 0.041 Uiso 1 1 calc R U . . .
C7A C 0.1996(6) -0.0653(3) 0.0816(4) 0.0327(13) Uani 1 1 d . . . . .
C7B C 0.6791(7) 0.4753(5) -0.5548(4) 0.0396(15) Uani 1 1 d . . . . .
C7C C 0.5247(7) 1.0191(3) -0.6625(3) 0.0268(11) Uani 1 1 d . . . . .
C8A C 0.1877(6) -0.0321(4) -0.0079(4) 0.0335(13) Uani 1 1 d . . . . .
C8B C 0.7382(8) 0.5672(5) -0.5949(4) 0.0461(17) Uani 1 1 d . . . . .
C8C C 0.3507(7) 1.0021(4) -0.6190(3) 0.0311(12) Uani 1 1 d . . . . .
C9A C 0.2749(6) 0.0536(3) -0.0697(4) 0.0286(12) Uani 1 1 d . . . . .
C9B C 0.8091(7) 0.5994(4) -0.5425(3) 0.0340(13) Uani 1 1 d . . . . .
C9C C 0.3138(6) 0.9327(3) -0.5283(3) 0.0225(10) Uani 1 1 d . . . . .
C10A C 0.2619(7) 0.0846(4) -0.1536(4) 0.0354(13) Uani 1 1 d . . . . .
H10A H 0.2049 0.0520 -0.1713 0.042 Uiso 1 1 calc R U . . .
C10B C 0.8528(8) 0.6873(4) -0.5785(4) 0.0444(16) Uani 1 1 d . . . . .
H10B H 0.8376 0.7240 -0.6338 0.053 Uiso 1 1 calc R U . . .
C10C C 0.1502(6) 0.9129(4) -0.4900(4) 0.0310(12) Uani 1 1 d . . . . .
H10C H 0.0661 0.9415 -0.5200 0.037 Uiso 1 1 calc R U . . .
C11A C 0.3353(7) 0.1656(4) -0.2120(4) 0.0366(13) Uani 1 1 d . . . . .
H11A H 0.3242 0.1875 -0.2688 0.044 Uiso 1 1 calc R U . . .
C11B C 0.9190(8) 0.7200(4) -0.5314(4) 0.0447(15) Uani 1 1 d . . . . .
H11B H 0.9457 0.7788 -0.5555 0.054 Uiso 1 1 calc R U . . .
C11C C 0.1117(6) 0.8502(4) -0.4063(4) 0.0332(13) Uani 1 1 d . . . . .
H11C H 0.0010 0.8375 -0.3802 0.040 Uiso 1 1 calc R U . . .
C12A C 0.4228(7) 0.2134(4) -0.1880(3) 0.0316(12) Uani 1 1 d . . . . .
H12A H 0.4673 0.2680 -0.2283 0.038 Uiso 1 1 calc R U . . .
C12B C 0.9456(7) 0.6678(4) -0.4514(4) 0.0351(13) Uani 1 1 d . . . . .
H12B H 0.9922 0.6912 -0.4218 0.042 Uiso 1 1 calc R U . . .
C12C C 0.2328(6) 0.8063(3) -0.3610(3) 0.0295(12) Uani 1 1 d . . . . .
H12C H 0.2027 0.7634 -0.3053 0.035 Uiso 1 1 calc R U . . .
C13A C 0.4472(6) 0.1816(3) -0.1031(3) 0.0265(11) Uani 1 1 d . . . . .
C13B C 0.9029(6) 0.5770(3) -0.4115(3) 0.0251(11) Uani 1 1 d . . . . .
C13C C 0.4033(6) 0.8252(3) -0.3977(3) 0.0205(10) Uani 1 1 d . . . . .
C14A C 0.3680(6) 0.0991(3) -0.0414(3) 0.0249(11) Uani 1 1 d . . . . .
C14B C 0.8318(6) 0.5430(4) -0.4589(3) 0.0269(11) Uani 1 1 d . . . . .
C14C C 0.4444(6) 0.8899(3) -0.4842(3) 0.0209(10) Uani 1 1 d . . . . .
C15A C 0.6310(6) 0.3099(3) -0.1404(3) 0.0265(11) Uani 1 1 d . . . . .
H15A H 0.6674 0.3099 -0.1945 0.032 Uiso 1 1 calc R U . . .
H15B H 0.7292 0.3163 -0.1191 0.032 Uiso 1 1 calc R U . . .
C15B C 1.0107(6) 0.5552(3) -0.2820(3) 0.0252(11) Uani 1 1 d . . . . .
H15C H 0.9539 0.6031 -0.2786 0.030 Uiso 1 1 calc R U . . .
H15D H 1.1251 0.5747 -0.3090 0.030 Uiso 1 1 calc R U . . .
C15C C 0.4913(5) 0.7185(3) -0.2632(3) 0.0222(10) Uani 1 1 d . . . . .
H15E H 0.4121 0.6736 -0.2551 0.027 Uiso 1 1 calc R U . . .
H15F H 0.4449 0.7450 -0.2281 0.027 Uiso 1 1 calc R U . . .
C16A C 0.5254(6) 0.3867(3) -0.1546(3) 0.0224(10) Uani 1 1 d . . . . .
H16A H 0.5750 0.4362 -0.2067 0.027 Uiso 1 1 calc R U . . .
H16B H 0.4156 0.3737 -0.1616 0.027 Uiso 1 1 calc R U . . .
C16B C 1.0061(6) 0.4813(3) -0.1937(3) 0.0248(11) Uani 1 1 d . . . . .
H16C H 0.8917 0.4598 -0.1688 0.030 Uiso 1 1 calc R U . . .
H16D H 1.0671 0.4348 -0.1977 0.030 Uiso 1 1 calc R U . . .
C16C C 0.6539(6) 0.6803(4) -0.2382(3) 0.0317(12) Uani 1 1 d . . . . .
H16E H 0.6950 0.6516 -0.2720 0.038 Uiso 1 1 calc R U . . .
H16F H 0.7344 0.7269 -0.2521 0.038 Uiso 1 1 calc R U . . .
C17A C 0.5085(5) 0.4095(3) -0.0821(3) 0.0149(9) Uani 1 1 d . . . . .
C17B C 1.0797(5) 0.5073(3) -0.1361(3) 0.0197(10) Uani 1 1 d . . . . .
C17C C 0.6436(5) 0.6169(3) -0.1457(3) 0.0179(9) Uani 1 1 d . . . . .
N1A N 0.5434(5) 0.2281(3) -0.0812(3) 0.0268(9) Uani 1 1 d . . . . .
H1A H 0.5528 0.2074 -0.0285 0.032 Uiso 1 1 calc R U . . .
N1B N 0.9300(5) 0.5264(3) -0.3320(3) 0.0298(10) Uani 1 1 d . . . . .
H1B H 0.8969 0.4729 -0.3088 0.036 Uiso 1 1 calc R U . . .
N1C N 0.5229(5) 0.7829(3) -0.3521(2) 0.0231(9) Uani 1 1 d . . . . .
H1C H 0.6245 0.7950 -0.3775 0.028 Uiso 1 1 calc R U . . .
N3D N 1.0548(5) 0.2569(3) 0.0778(3) 0.0324(11) Uani 1 1 d . . . . .
O1A O 0.4706(5) 0.1016(2) 0.0735(2) 0.0349(9) Uani 1 1 d . . . . .
O1B O 0.7973(5) 0.3998(3) -0.3478(2) 0.0360(9) Uani 1 1 d . . . . .
O1C O 0.7360(4) 0.8760(2) -0.4907(2) 0.0317(9) Uani 1 1 d . . . . .
O1D O 0.8252(4) 0.3300(2) 0.0815(2) 0.0288(8) Uani 1 1 d . . . . .
O2A O 0.1058(5) -0.0720(3) -0.0321(3) 0.0483(11) Uani 1 1 d . . . . .
O2B O 0.7306(8) 0.6153(4) -0.6694(3) 0.0745(17) Uani 1 1 d . . . . .
O2C O 0.2381(5) 1.0424(3) -0.6558(3) 0.0522(12) Uani 1 1 d . . . . .
O3A O 0.6429(4) 0.4175(2) -0.0595(2) 0.0196(7) Uani 1 1 d . . . . .
O3B O 1.0183(3) 0.4712(2) -0.0572(2) 0.0174(7) Uani 1 1 d . . . . .
O3C O 0.7806(4) 0.5937(2) -0.1185(2) 0.0205(7) Uani 1 1 d . . . . .
O4A O 0.3665(4) 0.4194(2) -0.0506(2) 0.0209(7) Uani 1 1 d . . . . .
O4B O 1.2003(4) 0.5604(2) -0.1648(2) 0.0277(8) Uani 1 1 d . . . . .
O4C O 0.5046(3) 0.5872(2) -0.1006(2) 0.0187(7) Uani 1 1 d . . . . .


_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 O4C 2.272(3) 2_665 ?
Dy1 O3A 2.324(3) . ?
Dy1 O4A 2.330(3) 2_665 ?
Dy1 O1D 2.336(3) . ?
Dy1 O3C 2.397(3) . ?
Dy1 O3B 2.426(3) . ?
Dy1 O3B 2.477(3) 2_765 ?
Dy1 O4B 2.492(3) 2_765 ?
Dy1 C17B 2.838(5) 2_765 ?
C1A O1A 1.244(6) . ?
C1A C14A 1.441(7) . ?
C1A C2A 1.507(8) . ?
C1B O1B 1.231(7) . ?
C1B C14B 1.459(8) . ?
C1B C2B 1.497(7) . ?
C1C O1C 1.228(6) . ?
C1C C14C 1.463(6) . ?
C1C C2C 1.497(7) . ?
C2A C3A 1.395(9) . ?
C2A C7A 1.396(8) . ?
C2B C7B 1.390(8) . ?
C2B C3B 1.398(9) . ?
C2C C3C 1.399(7) . ?
C2C C7C 1.402(7) . ?
C2D O1D 1.239(5) . ?
C2D N3D 1.305(6) . ?
C3A C4A 1.383(9) . ?
C3B C4B 1.385(9) . ?
C3C C4C 1.397(8) . ?
C4A C5A 1.393(10) . ?
C4B C5B 1.385(12) . ?
C4C C5C 1.358(8) . ?
C4D N3D 1.434(8) . ?
C5A C6A 1.354(10) . ?
C5B C6B 1.361(12) . ?
C5C C6C 1.376(8) . ?
C5D N3D 1.464(7) . ?
C6A C7A 1.417(8) . ?
C6B C7B 1.408(9) . ?
C6C C7C 1.401(7) . ?
C7A C8A 1.456(9) . ?
C7B C8B 1.481(10) . ?
C7C C8C 1.472(8) . ?
C8A O2A 1.231(7) . ?
C8A C9A 1.500(8) . ?
C8B O2B 1.222(8) . ?
C8B C9B 1.486(9) . ?
C8C O2C 1.230(6) . ?
C8C C9C 1.505(7) . ?
C9A C10A 1.370(8) . ?
C9A C14A 1.409(7) . ?
C9B C10B 1.395(9) . ?
C9B C14B 1.407(7) . ?
C9C C10C 1.373(7) . ?
C9C C14C 1.418(6) . ?
C10A C11A 1.393(8) . ?
C10B C11B 1.390(9) . ?
C10C C11C 1.383(8) . ?
C11A C12A 1.358(7) . ?
C11B C12B 1.354(9) . ?
C11C C12C 1.369(7) . ?
C12A C13A 1.409(8) . ?
C12B C13B 1.433(8) . ?
C12C C13C 1.417(7) . ?
C13A N1A 1.360(6) . ?
C13A C14A 1.439(7) . ?
C13B N1B 1.343(7) . ?
C13B C14B 1.432(7) . ?
C13C N1C 1.354(6) . ?
C13C C14C 1.429(7) . ?
C15A N1A 1.448(6) . ?
C15A C16A 1.520(7) . ?
C15B N1B 1.451(6) . ?
C15B C16B 1.513(7) . ?
C15C N1C 1.455(6) . ?
C15C C16C 1.511(6) . ?
C16A C17A 1.513(6) . ?
C16B C17B 1.508(6) . ?
C16C C17C 1.505(7) . ?
C17A O4A 1.252(5) . ?
C17A O3A 1.259(5) . ?
C17B O4B 1.239(5) . ?
C17B O3B 1.276(6) . ?
C17B Dy1 2.838(5) 2_765 ?
C17C O4C 1.249(5) . ?
C17C O3C 1.274(5) . ?
O3B Dy1 2.477(3) 2_765 ?
O4A Dy1 2.330(3) 2_665 ?
O4B Dy1 2.492(3) 2_765 ?
O4C Dy1 2.272(3) 2_665 ?

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
O4C Dy1 O3A 78.33(11) 2_665 . ?
O4C Dy1 O4A 76.30(11) 2_665 2_665 ?
O3A Dy1 O4A 125.81(11) . 2_665 ?
O4C Dy1 O1D 83.69(11) 2_665 . ?
O3A Dy1 O1D 77.47(12) . . ?
O4A Dy1 O1D 143.99(13) 2_665 . ?
O4C Dy1 O3C 123.40(10) 2_665 . ?
O3A Dy1 O3C 77.04(11) . . ?
O4A Dy1 O3C 78.44(11) 2_665 . ?
O1D Dy1 O3C 137.20(12) . . ?
O4C Dy1 O3B 154.30(11) 2_665 . ?
O3A Dy1 O3B 85.79(10) . . ?
O4A Dy1 O3B 129.29(10) 2_665 . ?
O1D Dy1 O3B 73.14(11) . . ?
O3C Dy1 O3B 71.22(10) . . ?
O4C Dy1 O3B 128.94(11) 2_665 2_765 ?
O3A Dy1 O3B 151.10(10) . 2_765 ?
O4A Dy1 O3B 76.14(10) 2_665 2_765 ?
O1D Dy1 O3B 94.55(11) . 2_765 ?
O3C Dy1 O3B 91.53(10) . 2_765 ?
O3B Dy1 O3B 65.34(12) . 2_765 ?
O4C Dy1 O4B 78.74(11) 2_665 2_765 ?
O3A Dy1 O4B 145.03(11) . 2_765 ?
O4A Dy1 O4B 72.84(12) 2_665 2_765 ?
O1D Dy1 O4B 74.08(13) . 2_765 ?
O3C Dy1 O4B 137.91(11) . 2_765 ?
O3B Dy1 O4B 104.66(11) . 2_765 ?
O3B Dy1 O4B 52.31(10) 2_765 2_765 ?
O4C Dy1 C17B 102.89(12) 2_665 2_765 ?
O3A Dy1 C17B 163.05(12) . 2_765 ?
O4A Dy1 C17B 70.22(12) 2_665 2_765 ?
O1D Dy1 C17B 85.83(13) . 2_765 ?
O3C Dy1 C17B 114.64(12) . 2_765 ?
O3B Dy1 C17B 86.66(12) . 2_765 ?
O3B Dy1 C17B 26.68(12) 2_765 2_765 ?
O4B Dy1 C17B 25.84(12) 2_765 2_765 ?
O1A C1A C14A 123.2(5) . . ?
O1A C1A C2A 118.9(5) . . ?
C14A C1A C2A 117.9(5) . . ?
O1B C1B C14B 122.8(5) . . ?
O1B C1B C2B 118.9(5) . . ?
C14B C1B C2B 118.2(5) . . ?
O1C C1C C14C 123.8(4) . . ?
O1C C1C C2C 118.8(4) . . ?
C14C C1C C2C 117.4(4) . . ?
C3A C2A C7A 120.8(5) . . ?
C3A C2A C1A 118.3(5) . . ?
C7A C2A C1A 120.9(5) . . ?
C7B C2B C3B 119.8(6) . . ?
C7B C2B C1B 121.7(6) . . ?
C3B C2B C1B 118.4(5) . . ?
C3C C2C C7C 119.4(5) . . ?
C3C C2C C1C 118.3(5) . . ?
C7C C2C C1C 122.3(5) . . ?
O1D C2D N3D 124.8(5) . . ?
C4A C3A C2A 119.3(7) . . ?
C4B C3B C2B 120.0(7) . . ?
C2C C3C C4C 119.2(5) . . ?
C3A C4A C5A 120.7(7) . . ?
C5B C4B C3B 119.7(8) . . ?
C5C C4C C3C 121.2(5) . . ?
C6A C5A C4A 119.7(6) . . ?
C6B C5B C4B 121.0(7) . . ?
C4C C5C C6C 120.5(5) . . ?
C5A C6A C7A 121.6(7) . . ?
C5B C6B C7B 120.2(7) . . ?
C5C C6C C7C 120.1(5) . . ?
C2A C7A C6A 117.8(6) . . ?
C2A C7A C8A 121.1(5) . . ?
C6A C7A C8A 121.1(6) . . ?
C2B C7B C6B 119.3(7) . . ?
C2B C7B C8B 119.9(5) . . ?
C6B C7B C8B 120.8(6) . . ?
C2C C7C C6C 119.5(5) . . ?
C2C C7C C8C 120.3(4) . . ?
C6C C7C C8C 120.2(5) . . ?
O2A C8A C7A 121.2(5) . . ?
O2A C8A C9A 120.8(6) . . ?
C7A C8A C9A 118.0(5) . . ?
O2B C8B C7B 120.9(6) . . ?
O2B C8B C9B 120.7(7) . . ?
C7B C8B C9B 118.4(5) . . ?
O2C C8C C7C 121.3(5) . . ?
O2C C8C C9C 120.7(5) . . ?
C7C C8C C9C 118.0(4) . . ?
C10A C9A C14A 122.0(5) . . ?
C10A C9A C8A 117.5(5) . . ?
C14A C9A C8A 120.4(5) . . ?
C10B C9B C14B 120.7(6) . . ?
C10B C9B C8B 118.1(5) . . ?
C14B C9B C8B 121.2(6) . . ?
C10C C9C C14C 121.6(5) . . ?
C10C C9C C8C 117.7(4) . . ?
C14C C9C C8C 120.7(4) . . ?
C9A C10A C11A 118.9(5) . . ?
C11B C10B C9B 119.8(6) . . ?
C9C C10C C11C 119.3(5) . . ?
C12A C11A C10A 121.6(6) . . ?
C12B C11B C10B 121.3(6) . . ?
C12C C11C C10C 121.6(5) . . ?
C11A C12A C13A 121.1(5) . . ?
C11B C12B C13B 121.0(6) . . ?
C11C C12C C13C 121.0(5) . . ?
N1A C13A C12A 120.3(5) . . ?
N1A C13A C14A 121.7(5) . . ?
C12A C13A C14A 118.0(5) . . ?
N1B C13B C14B 121.9(5) . . ?
N1B C13B C12B 120.0(5) . . ?
C14B C13B C12B 118.1(5) . . ?
N1C C13C C12C 120.8(4) . . ?
N1C C13C C14C 121.3(4) . . ?
C12C C13C C14C 117.8(4) . . ?
C9A C14A C13A 118.2(5) . . ?
C9A C14A C1A 121.5(5) . . ?
C13A C14A C1A 120.3(5) . . ?
C9B C14B C13B 119.0(5) . . ?
C9B C14B C1B 120.4(5) . . ?
C13B C14B C1B 120.6(5) . . ?
C9C C14C C13C 118.7(4) . . ?
C9C C14C C1C 121.1(4) . . ?
C13C C14C C1C 120.2(4) . . ?
N1A C15A C16A 113.1(4) . . ?
N1B C15B C16B 109.3(4) . . ?
N1C C15C C16C 108.4(4) . . ?
C17A C16A C15A 112.9(4) . . ?
C17B C16B C15B 112.6(4) . . ?
C17C C16C C15C 114.7(4) . . ?
O4A C17A O3A 125.8(4) . . ?
O4A C17A C16A 118.8(4) . . ?
O3A C17A C16A 115.4(4) . . ?
O4B C17B O3B 121.2(4) . . ?
O4B C17B C16B 120.4(4) . . ?
O3B C17B C16B 118.4(4) . . ?
O4B C17B Dy1 61.3(2) . 2_765 ?
O3B C17B Dy1 60.7(2) . 2_765 ?
C16B C17B Dy1 169.0(3) . 2_765 ?
O4C C17C O3C 123.4(4) . . ?
O4C C17C C16C 119.5(4) . . ?
O3C C17C C16C 117.0(4) . . ?
C13A N1A C15A 124.5(4) . . ?
C13B N1B C15B 125.0(5) . . ?
C13C N1C C15C 124.5(4) . . ?
C2D N3D C4D 122.5(5) . . ?
C2D N3D C5D 121.0(6) . . ?
C4D N3D C5D 116.4(5) . . ?
C2D O1D Dy1 136.1(3) . . ?
C17A O3A Dy1 140.3(3) . . ?
C17B O3B Dy1 132.9(3) . . ?
C17B O3B Dy1 92.6(2) . 2_765 ?
Dy1 O3B Dy1 114.66(12) . 2_765 ?
C17C O3C Dy1 113.3(3) . . ?
C17A O4A Dy1 133.6(3) . 2_665 ?
C17B O4B Dy1 92.9(3) . 2_765 ?
C17C O4C Dy1 177.0(3) . 2_665 ?

_refine_diff_density_max         1.432
_refine_diff_density_min         -2.308
_refine_diff_density_rms         0.173

_shelxl_version_number           2014-3


_exptl_crystal_preparation       'Magnetic properties'
