# 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_kg0512062015
_database_code_depnum_ccdc_archive 'CCDC 1860013'
_audit_update_record             
;
2018-11-14 deposited with the CCDC.
2018-11-15 downloaded from the CCDC.
;
_audit_creation_date             2018-03-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C60 H50 Cu2 Dy2 N8 O18, 2(C2 H3 N)'
_chemical_formula_sum            'C64 H56 Cu2 Dy2 N10 O18'
_chemical_formula_weight         1705.26
_chemical_melting_point          ?
_chemical_oxdiff_formula         Cu2Dy2C80H100N12O18
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   14.0995(4)
_cell_length_b                   16.9713(6)
_cell_length_c                   25.9304(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6204.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5038
_cell_measurement_temperature    173
_cell_measurement_theta_max      61.8480
_cell_measurement_theta_min      4.4040
_shelx_estimated_absorpt_T_max   0.398
_shelx_estimated_absorpt_T_min   0.155
_exptl_absorpt_coefficient_mu    14.139
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.18325
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3376
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0932
_diffrn_reflns_av_unetI/netI     0.0757
_diffrn_reflns_Laue_measured_fraction_full 0.867
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18688
_diffrn_reflns_point_group_measured_fraction_full 0.867
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         62.170
_diffrn_reflns_theta_min         4.633
_diffrn_ambient_temperature      173
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1033
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.867
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -94.00  -63.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -      -34.9931 -178.0000 -150.0000 31

#__ type_ start__ end____ width___ exp.time_
  2 omega  -89.00  -64.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -      -34.9931 -178.0000    0.0000 25

#__ type_ start__ end____ width___ exp.time_
  3 omega   -5.00  104.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       34.9931   19.0000  120.0000 109

#__ type_ start__ end____ width___ exp.time_
  4 omega   19.00   49.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -30.0000    0.0000 30

#__ type_ start__ end____ width___ exp.time_
  5 omega   31.00   62.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -95.0000 -180.0000 31

#__ type_ start__ end____ width___ exp.time_
  6 omega   19.00   69.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -45.0000 -150.0000 50

#__ type_ start__ end____ width___ exp.time_
  7 omega   18.00   55.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -30.0000   90.0000 37

#__ type_ start__ end____ width___ exp.time_
  8 omega   41.00  101.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -61.0000   60.0000 60

#__ type_ start__ end____ width___ exp.time_
  9 omega   51.00   77.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -45.0000 -120.0000 26

#__ type_ start__ end____ width___ exp.time_
 10 omega   40.00   65.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -95.0000 -120.0000 25

#__ type_ start__ end____ width___ exp.time_
 11 omega   62.00  103.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000   77.0000   60.0000 41

#__ type_ start__ end____ width___ exp.time_
 12 omega  111.00  161.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000   77.0000   60.0000 50

#__ type_ start__ end____ width___ exp.time_
 13 omega   34.00   60.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -30.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 14 omega   26.00   75.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -95.0000    0.0000 49

#__ type_ start__ end____ width___ exp.time_
 15 omega   25.00   50.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -45.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
 16 omega  111.00  137.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  111.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 17 omega   39.00   64.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -61.0000    0.0000 25

#__ type_ start__ end____ width___ exp.time_
 18 omega   22.00   49.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -45.0000  150.0000 27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0904718000
_diffrn_orient_matrix_UB_12      0.0488086000
_diffrn_orient_matrix_UB_13      -0.0094060000
_diffrn_orient_matrix_UB_21      -0.0353724000
_diffrn_orient_matrix_UB_22      -0.0626304000
_diffrn_orient_matrix_UB_23      -0.0384630000
_diffrn_orient_matrix_UB_31      -0.0499684000
_diffrn_orient_matrix_UB_32      -0.0439977000
_diffrn_orient_matrix_UB_33      0.0443070000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'Enhance Ultra (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3473
_reflns_number_total             4867
_reflns_odcompleteness_completeness 88.31
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.869
_refine_diff_density_min         -1.008
_refine_diff_density_rms         0.134
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         4867
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0522
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0549P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1350
_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
2.a Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00H(H00H), C00J(H00J), C00M(H00M), C00P(H00P), C00T(H00T),
 C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y), C012(H012), C013(H013),
 C016(H016), C017(H017), C018(H018), C01A(H01G)
2.b Idealised Me refined as rotating group:
 C00O(H00A,H00B,H00D), C010(H01A,H01B,H01C), C014(H01D,H01E,H01F), C01B(H01H,
 H01I,H01J)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.64517(3) 1.00179(2) 0.58609(2) 0.02964(17) Uani 1 1 d . . . . .
Cu1 Cu 0.56774(7) 0.92976(5) 0.47074(3) 0.0294(3) Uani 1 1 d . . . . .
O5 O 0.5881(3) 0.8949(3) 0.54088(15) 0.0322(11) Uani 1 1 d . . . . .
O3 O 0.5991(3) 1.0329(3) 0.50202(15) 0.0314(10) Uani 1 1 d . . . . .
O4 O 0.5941(3) 0.8861(3) 0.63936(16) 0.0375(12) Uani 1 1 d . . . . .
O6 O 0.5134(3) 0.9572(3) 0.40268(15) 0.0312(10) Uani 1 1 d . . . . .
O7 O 0.8077(4) 1.0109(3) 0.5521(2) 0.0443(13) Uani 1 1 d . . . . .
O1 O 0.6967(4) 1.0519(4) 0.76007(18) 0.0606(16) Uani 1 1 d . . . . .
O9 O 0.9108(4) 0.9159(3) 0.5533(2) 0.0586(15) Uani 1 1 d . . . . .
O2 O 0.6822(4) 1.0518(3) 0.65942(16) 0.0423(12) Uani 1 1 d . . . . .
N2 N 0.5527(4) 0.8216(3) 0.4469(2) 0.0310(13) Uani 1 1 d . . . . .
C00C C 0.6803(5) 1.1979(4) 0.5989(3) 0.0341(16) Uani 1 1 d . . . . .
H00C H 0.6833 1.2493 0.5845 0.041 Uiso 1 1 calc R . . . .
O8 O 0.7746(4) 0.9039(3) 0.5925(2) 0.0474(13) Uani 1 1 d . . . . .
C00E C 0.5331(5) 0.8957(4) 0.3708(2) 0.0323(16) Uani 1 1 d . . . . .
N1 N 0.6724(4) 1.1411(3) 0.5666(2) 0.0307(13) Uani 1 1 d . . . . .
C00G C 0.6755(5) 1.1568(4) 0.5121(2) 0.0312(15) Uani 1 1 d . . . . .
C00H C 0.5452(5) 0.7586(4) 0.4747(3) 0.0342(16) Uani 1 1 d . . . . .
H00H H 0.5350 0.7101 0.4573 0.041 Uiso 1 1 calc R . . . .
N3 N 0.7360(5) 0.9300(4) 0.4411(2) 0.0434(15) Uani 1 1 d . . . . .
C00J C 0.6790(5) 1.1772(4) 0.4056(3) 0.0368(17) Uani 1 1 d . . . . .
H00J H 0.6808 1.1839 0.3693 0.044 Uiso 1 1 calc R . . . .
C00K C 0.7993(6) 0.9719(5) 0.4400(3) 0.0396(18) Uani 1 1 d . . . . .
N00L N 0.8339(4) 0.9430(4) 0.5654(2) 0.0390(15) Uani 1 1 d . . . . .
C00M C 0.7137(5) 1.2254(4) 0.4904(3) 0.0368(17) Uani 1 1 d . . . . .
H00M H 0.7388 1.2656 0.5119 0.044 Uiso 1 1 calc R . . . .
C00N C 0.6390(4) 1.0986(4) 0.4803(2) 0.0278(15) Uani 1 1 d . . . . .
C00O C 0.5892(6) 0.8850(5) 0.6950(2) 0.048(2) Uani 1 1 d . . . . .
H00A H 0.6325 0.8447 0.7084 0.072 Uiso 1 1 calc GR . . . .
H00B H 0.5242 0.8728 0.7058 0.072 Uiso 1 1 calc GR . . . .
H00D H 0.6075 0.9367 0.7085 0.072 Uiso 1 1 calc GR . . . .
C00P C 0.6401(5) 1.1095(4) 0.4267(2) 0.0321(16) Uani 1 1 d . . . . .
H00P H 0.6140 1.0702 0.4048 0.039 Uiso 1 1 calc R . . . .
C00Q C 0.5723(5) 0.8235(4) 0.5600(3) 0.0310(15) Uani 1 1 d . . . . .
C00S C 0.6937(6) 1.1251(5) 0.7372(3) 0.048(2) Uani 1 1 d . . . . .
C00T C 0.5325(5) 0.9041(5) 0.3173(2) 0.0402(18) Uani 1 1 d . . . . .
H00T H 0.5214 0.9543 0.3023 0.048 Uiso 1 1 calc R . . . .
C00U C 0.5756(5) 0.8160(4) 0.6145(3) 0.0346(16) Uani 1 1 d . . . . .
C00V C 0.5686(5) 0.7554(5) 0.3607(3) 0.0441(19) Uani 1 1 d . . . . .
H00V H 0.5821 0.7053 0.3753 0.053 Uiso 1 1 calc R . . . .
C00W C 0.6874(6) 1.2651(5) 0.6821(3) 0.046(2) Uani 1 1 d . . . . .
H00W H 0.6858 1.3134 0.6636 0.055 Uiso 1 1 calc R . . . .
C00X C 0.5660(5) 0.7661(5) 0.3079(3) 0.051(2) Uani 1 1 d . . . . .
H00X H 0.5768 0.7221 0.2860 0.061 Uiso 1 1 calc R . . . .
C00Y C 0.6964(6) 1.1949(5) 0.7622(3) 0.054(2) Uani 1 1 d . . . . .
H00Y H 0.7016 1.1955 0.7988 0.065 Uiso 1 1 calc R . . . .
C00Z C 0.5507(4) 0.8213(4) 0.3922(2) 0.0305(15) Uani 1 1 d . . . . .
C010 C 0.7087(7) 1.0508(6) 0.8150(3) 0.067(3) Uani 1 1 d . . . . .
H01A H 0.6524 1.0733 0.8316 0.100 Uiso 1 1 calc GR . . . .
H01B H 0.7646 1.0820 0.8244 0.100 Uiso 1 1 calc GR . . . .
H01C H 0.7174 0.9964 0.8267 0.100 Uiso 1 1 calc GR . . . .
N4 N 1.0337(9) 0.9294(7) 0.6815(4) 0.108(3) Uani 1 1 d . . . . .
C012 C 0.5412(6) 0.6786(5) 0.6077(3) 0.055(2) Uani 1 1 d . . . . .
H012 H 0.5307 0.6292 0.6238 0.066 Uiso 1 1 calc R . . . .
C013 C 0.5607(5) 0.7439(4) 0.6377(3) 0.0466(19) Uani 1 1 d . . . . .
H013 H 0.5639 0.7392 0.6741 0.056 Uiso 1 1 calc R . . . .
C014 C 0.8781(7) 1.0258(6) 0.4387(3) 0.061(2) Uani 1 1 d . . . . .
H01D H 0.9319 1.0028 0.4573 0.092 Uiso 1 1 calc GR . . . .
H01E H 0.8597 1.0755 0.4551 0.092 Uiso 1 1 calc GR . . . .
H01F H 0.8963 1.0357 0.4028 0.092 Uiso 1 1 calc GR . . . .
C015 C 0.5512(5) 0.7569(4) 0.5304(3) 0.0349(16) Uani 1 1 d . . . . .
C016 C 0.7148(5) 1.2343(4) 0.4375(3) 0.0361(17) Uani 1 1 d . . . . .
H016 H 0.7407 1.2809 0.4230 0.043 Uiso 1 1 calc R . . . .
C017 C 0.5483(5) 0.8387(5) 0.2860(3) 0.048(2) Uani 1 1 d . . . . .
H017 H 0.5468 0.8441 0.2495 0.057 Uiso 1 1 calc R . . . .
C018 C 0.6917(6) 1.2661(5) 0.7352(3) 0.056(2) Uani 1 1 d . . . . .
H018 H 0.6915 1.3148 0.7533 0.067 Uiso 1 1 calc R . . . .
C019 C 0.9578(9) 0.9568(7) 0.6915(4) 0.075(3) Uani 1 1 d . . . . .
C01A C 0.5368(6) 0.6840(4) 0.5543(3) 0.0456(19) Uani 1 1 d . . . . .
H01G H 0.5240 0.6384 0.5342 0.055 Uiso 1 1 calc R . . . .
C01B C 0.8720(9) 0.9849(7) 0.7042(6) 0.109(5) Uani 1 1 d . . . . .
H01H H 0.8792 1.0282 0.7289 0.164 Uiso 1 1 calc GR . . . .
H01I H 0.8341 0.9427 0.7199 0.164 Uiso 1 1 calc GR . . . .
H01J H 0.8399 1.0042 0.6732 0.164 Uiso 1 1 calc GR . . . .
C1 C 0.6885(5) 1.1216(5) 0.6813(3) 0.0431(19) Uani 1 1 d . . . . .
C3 C 0.6853(5) 1.1936(4) 0.6551(3) 0.0370(17) 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 Cu1 3.4105(9) . ?
Dy1 O5 2.305(4) . ?
Dy1 O3 2.335(4) . ?
Dy1 O4 2.506(4) . ?
Dy1 O6 2.360(4) 5_676 ?
Dy1 O7 2.460(5) . ?
Dy1 O2 2.147(4) . ?
Dy1 O8 2.473(5) . ?
Dy1 N1 2.448(6) . ?
Dy1 N00L 2.893(6) . ?
Cu1 O5 1.934(4) . ?
Cu1 O3 1.979(4) . ?
Cu1 O6 1.980(4) . ?
Cu1 N2 1.948(5) . ?
Cu1 N3 2.494(7) . ?
O5 C00Q 1.327(8) . ?
O3 C00N 1.371(8) . ?
O4 C00O 1.445(8) . ?
O4 C00U 1.378(8) . ?
O6 Dy1 2.360(4) 5_676 ?
O6 C00E 1.360(8) . ?
O7 N00L 1.258(7) . ?
O1 C00S 1.378(10) . ?
O1 C010 1.435(9) . ?
O9 N00L 1.218(7) . ?
O2 C1 1.316(9) . ?
N2 C00H 1.294(8) . ?
N2 C00Z 1.420(9) . ?
C00C H00C 0.9500 . ?
C00C N1 1.282(9) . ?
C00C C3 1.460(10) . ?
O8 N00L 1.279(8) . ?
C00E C00T 1.394(9) . ?
C00E C00Z 1.400(10) . ?
N1 C00G 1.438(8) . ?
C00G C00M 1.401(9) . ?
C00G C00N 1.386(9) . ?
C00H H00H 0.9500 . ?
C00H C015 1.446(10) . ?
N3 C00K 1.141(9) . ?
C00J H00J 0.9500 . ?
C00J C00P 1.386(10) . ?
C00J C016 1.372(10) . ?
C00K C014 1.439(13) . ?
C00M H00M 0.9500 . ?
C00M C016 1.378(10) . ?
C00N C00P 1.403(9) . ?
C00O H00A 0.9800 . ?
C00O H00B 0.9800 . ?
C00O H00D 0.9800 . ?
C00P H00P 0.9500 . ?
C00Q C00U 1.419(10) . ?
C00Q C015 1.399(9) . ?
C00S C00Y 1.351(11) . ?
C00S C1 1.453(10) . ?
C00T H00T 0.9500 . ?
C00T C017 1.395(10) . ?
C00U C013 1.379(10) . ?
C00V H00V 0.9500 . ?
C00V C00X 1.383(11) . ?
C00V C00Z 1.407(9) . ?
C00W H00W 0.9500 . ?
C00W C018 1.379(11) . ?
C00W C3 1.402(10) . ?
C00X H00X 0.9500 . ?
C00X C017 1.379(11) . ?
C00Y H00Y 0.9500 . ?
C00Y C018 1.399(12) . ?
C010 H01A 0.9800 . ?
C010 H01B 0.9800 . ?
C010 H01C 0.9800 . ?
N4 C019 1.195(14) . ?
C012 H012 0.9500 . ?
C012 C013 1.381(11) . ?
C012 C01A 1.387(11) . ?
C013 H013 0.9500 . ?
C014 H01D 0.9800 . ?
C014 H01E 0.9800 . ?
C014 H01F 0.9800 . ?
C015 C01A 1.399(10) . ?
C016 H016 0.9500 . ?
C017 H017 0.9500 . ?
C018 H018 0.9500 . ?
C019 C01B 1.341(16) . ?
C01A H01G 0.9500 . ?
C01B H01H 0.9800 . ?
C01B H01I 0.9800 . ?
C01B H01J 0.9800 . ?
C1 C3 1.399(10) . ?

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
O5 Dy1 Cu1 32.89(10) . . ?
O5 Dy1 O3 66.80(15) . . ?
O5 Dy1 O4 64.11(14) . . ?
O5 Dy1 O6 87.94(16) . 5_676 ?
O5 Dy1 O7 101.09(16) . . ?
O5 Dy1 O8 76.30(17) . . ?
O5 Dy1 N1 135.26(16) . . ?
O5 Dy1 N00L 87.44(16) . . ?
O3 Dy1 Cu1 34.23(11) . . ?
O3 Dy1 O4 127.70(15) . . ?
O3 Dy1 O6 77.59(15) . 5_676 ?
O3 Dy1 O7 84.86(17) . . ?
O3 Dy1 O8 114.84(16) . . ?
O3 Dy1 N1 68.47(16) . . ?
O3 Dy1 N00L 99.24(16) . . ?
O4 Dy1 Cu1 96.35(10) . . ?
O4 Dy1 N00L 95.54(18) . . ?
O6 Dy1 Cu1 84.87(10) 5_676 . ?
O6 Dy1 O4 83.72(16) 5_676 . ?
O6 Dy1 O7 155.28(16) 5_676 . ?
O6 Dy1 O8 152.72(16) 5_676 . ?
O6 Dy1 N1 83.64(17) 5_676 . ?
O6 Dy1 N00L 175.16(15) 5_676 . ?
O7 Dy1 Cu1 90.36(13) . . ?
O7 Dy1 O4 120.95(17) . . ?
O7 Dy1 O8 51.62(16) . . ?
O7 Dy1 N00L 25.59(16) . . ?
O2 Dy1 Cu1 175.11(14) . . ?
O2 Dy1 O5 147.82(17) . . ?
O2 Dy1 O3 143.65(17) . . ?
O2 Dy1 O4 83.76(16) . . ?
O2 Dy1 O6 90.28(17) . 5_676 ?
O2 Dy1 O7 93.78(19) . . ?
O2 Dy1 O8 91.48(19) . . ?
O2 Dy1 N1 76.28(17) . . ?
O2 Dy1 N00L 94.39(18) . . ?
O8 Dy1 Cu1 93.13(13) . . ?
O8 Dy1 O4 69.43(16) . . ?
O8 Dy1 N00L 26.11(17) . . ?
N1 Dy1 Cu1 102.45(12) . . ?
N1 Dy1 O4 156.25(16) . . ?
N1 Dy1 O7 73.71(17) . . ?
N1 Dy1 O8 123.16(18) . . ?
N1 Dy1 N00L 98.66(19) . . ?
N00L Dy1 Cu1 90.47(11) . . ?
O5 Cu1 Dy1 40.33(13) . . ?
O5 Cu1 O3 81.50(18) . . ?
O5 Cu1 O6 165.43(19) . . ?
O5 Cu1 N2 91.5(2) . . ?
O5 Cu1 N3 98.6(2) . . ?
O3 Cu1 Dy1 41.59(12) . . ?
O3 Cu1 O6 104.10(18) . . ?
O3 Cu1 N3 85.0(2) . . ?
O6 Cu1 Dy1 145.22(13) . . ?
O6 Cu1 N3 95.32(19) . . ?
N2 Cu1 Dy1 130.59(16) . . ?
N2 Cu1 O3 170.9(2) . . ?
N2 Cu1 O6 84.1(2) . . ?
N2 Cu1 N3 90.4(2) . . ?
N3 Cu1 Dy1 88.01(14) . . ?
Cu1 O5 Dy1 106.79(19) . . ?
C00Q O5 Dy1 125.9(4) . . ?
C00Q O5 Cu1 127.3(4) . . ?
Cu1 O3 Dy1 104.18(18) . . ?
C00N O3 Dy1 116.9(4) . . ?
C00N O3 Cu1 130.1(4) . . ?
C00O O4 Dy1 125.1(4) . . ?
C00U O4 Dy1 118.2(4) . . ?
C00U O4 C00O 116.6(5) . . ?
Cu1 O6 Dy1 109.02(18) . 5_676 ?
C00E O6 Dy1 119.6(4) . 5_676 ?
C00E O6 Cu1 106.4(4) . . ?
N00L O7 Dy1 96.8(4) . . ?
C00S O1 C010 116.2(7) . . ?
C1 O2 Dy1 138.9(5) . . ?
C00H N2 Cu1 127.6(5) . . ?
C00H N2 C00Z 123.6(6) . . ?
C00Z N2 Cu1 108.8(4) . . ?
N1 C00C H00C 115.9 . . ?
N1 C00C C3 128.2(7) . . ?
C3 C00C H00C 115.9 . . ?
N00L O8 Dy1 95.6(4) . . ?
O6 C00E C00T 121.6(6) . . ?
O6 C00E C00Z 119.2(6) . . ?
C00T C00E C00Z 119.1(6) . . ?
C00C N1 Dy1 127.2(5) . . ?
C00C N1 C00G 120.0(6) . . ?
C00G N1 Dy1 112.7(4) . . ?
C00M C00G N1 124.1(6) . . ?
C00N C00G N1 116.2(6) . . ?
C00N C00G C00M 119.7(6) . . ?
N2 C00H H00H 117.7 . . ?
N2 C00H C015 124.6(6) . . ?
C015 C00H H00H 117.7 . . ?
C00K N3 Cu1 138.8(6) . . ?
C00P C00J H00J 120.2 . . ?
C016 C00J H00J 120.2 . . ?
C016 C00J C00P 119.6(6) . . ?
N3 C00K C014 179.0(9) . . ?
O7 N00L Dy1 57.6(3) . . ?
O7 N00L O8 115.7(6) . . ?
O9 N00L Dy1 175.1(5) . . ?
O9 N00L O7 122.5(7) . . ?
O9 N00L O8 121.8(7) . . ?
O8 N00L Dy1 58.3(3) . . ?
C00G C00M H00M 120.1 . . ?
C016 C00M C00G 119.7(7) . . ?
C016 C00M H00M 120.1 . . ?
O3 C00N C00G 119.3(5) . . ?
O3 C00N C00P 121.2(6) . . ?
C00G C00N C00P 119.5(6) . . ?
O4 C00O H00A 109.5 . . ?
O4 C00O H00B 109.5 . . ?
O4 C00O H00D 109.5 . . ?
H00A C00O H00B 109.5 . . ?
H00A C00O H00D 109.5 . . ?
H00B C00O H00D 109.5 . . ?
C00J C00P C00N 120.3(6) . . ?
C00J C00P H00P 119.9 . . ?
C00N C00P H00P 119.9 . . ?
O5 C00Q C00U 116.6(6) . . ?
O5 C00Q C015 124.6(6) . . ?
C015 C00Q C00U 118.7(6) . . ?
O1 C00S C1 113.2(7) . . ?
C00Y C00S O1 125.6(7) . . ?
C00Y C00S C1 121.2(8) . . ?
C00E C00T H00T 120.1 . . ?
C00E C00T C017 119.8(7) . . ?
C017 C00T H00T 120.1 . . ?
O4 C00U C00Q 113.2(6) . . ?
O4 C00U C013 126.2(6) . . ?
C013 C00U C00Q 120.6(7) . . ?
C00X C00V H00V 121.1 . . ?
C00X C00V C00Z 117.7(8) . . ?
C00Z C00V H00V 121.1 . . ?
C018 C00W H00W 119.6 . . ?
C018 C00W C3 120.8(8) . . ?
C3 C00W H00W 119.6 . . ?
C00V C00X H00X 119.0 . . ?
C017 C00X C00V 122.0(7) . . ?
C017 C00X H00X 119.0 . . ?
C00S C00Y H00Y 119.5 . . ?
C00S C00Y C018 121.0(7) . . ?
C018 C00Y H00Y 119.5 . . ?
C00E C00Z N2 113.3(6) . . ?
C00E C00Z C00V 121.3(6) . . ?
C00V C00Z N2 125.3(7) . . ?
O1 C010 H01A 109.5 . . ?
O1 C010 H01B 109.5 . . ?
O1 C010 H01C 109.5 . . ?
H01A C010 H01B 109.5 . . ?
H01A C010 H01C 109.5 . . ?
H01B C010 H01C 109.5 . . ?
C013 C012 H012 119.4 . . ?
C013 C012 C01A 121.2(7) . . ?
C01A C012 H012 119.4 . . ?
C00U C013 C012 119.7(7) . . ?
C00U C013 H013 120.1 . . ?
C012 C013 H013 120.1 . . ?
C00K C014 H01D 109.5 . . ?
C00K C014 H01E 109.5 . . ?
C00K C014 H01F 109.5 . . ?
H01D C014 H01E 109.5 . . ?
H01D C014 H01F 109.5 . . ?
H01E C014 H01F 109.5 . . ?
C00Q C015 C00H 122.9(6) . . ?
C00Q C015 C01A 120.1(6) . . ?
C01A C015 C00H 116.9(6) . . ?
C00J C016 C00M 121.2(7) . . ?
C00J C016 H016 119.4 . . ?
C00M C016 H016 119.4 . . ?
C00T C017 H017 120.0 . . ?
C00X C017 C00T 120.0(7) . . ?
C00X C017 H017 120.0 . . ?
C00W C018 C00Y 119.4(8) . . ?
C00W C018 H018 120.3 . . ?
C00Y C018 H018 120.3 . . ?
N4 C019 C01B 177.4(14) . . ?
C012 C01A C015 119.6(7) . . ?
C012 C01A H01G 120.2 . . ?
C015 C01A H01G 120.2 . . ?
C019 C01B H01H 109.5 . . ?
C019 C01B H01I 109.5 . . ?
C019 C01B H01J 109.5 . . ?
H01H C01B H01I 109.5 . . ?
H01H C01B H01J 109.5 . . ?
H01I C01B H01J 109.5 . . ?
O2 C1 C00S 118.1(7) . . ?
O2 C1 C3 125.1(6) . . ?
C3 C1 C00S 116.7(7) . . ?
C00W C3 C00C 117.2(7) . . ?
C1 C3 C00C 122.0(7) . . ?
C1 C3 C00W 120.9(7) . . ?

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 O5 C00Q C00U 11.2(8) . . . . ?
Dy1 O5 C00Q C015 -170.0(5) . . . . ?
Dy1 O3 C00N C00G -22.5(7) . . . . ?
Dy1 O3 C00N C00P 160.2(5) . . . . ?
Dy1 O4 C00U C00Q -10.6(7) . . . . ?
Dy1 O4 C00U C013 169.7(6) . . . . ?
Dy1 O6 C00E C00T 76.6(7) 5_676 . . . ?
Dy1 O6 C00E C00Z -100.9(6) 5_676 . . . ?
Dy1 O7 N00L O9 174.2(6) . . . . ?
Dy1 O7 N00L O8 -5.7(6) . . . . ?
Dy1 O2 C1 C00S 164.1(5) . . . . ?
Dy1 O2 C1 C3 -12.1(12) . . . . ?
Dy1 O8 N00L O7 5.7(6) . . . . ?
Dy1 O8 N00L O9 -174.3(5) . . . . ?
Dy1 N1 C00G C00M -162.6(5) . . . . ?
Dy1 N1 C00G C00N 16.3(7) . . . . ?
Cu1 O5 C00Q C00U -168.5(4) . . . . ?
Cu1 O5 C00Q C015 10.3(9) . . . . ?
Cu1 O3 C00N C00G -164.3(5) . . . . ?
Cu1 O3 C00N C00P 18.4(9) . . . . ?
Cu1 O6 C00E C00T -159.5(6) . . . . ?
Cu1 O6 C00E C00Z 23.0(7) . . . . ?
Cu1 N2 C00H C015 -3.1(10) . . . . ?
Cu1 N2 C00Z C00E -16.9(7) . . . . ?
Cu1 N2 C00Z C00V 160.2(6) . . . . ?
O5 C00Q C00U O4 0.7(9) . . . . ?
O5 C00Q C00U C013 -179.5(6) . . . . ?
O5 C00Q C015 C00H 0.6(11) . . . . ?
O5 C00Q C015 C01A 179.2(7) . . . . ?
O3 C00N C00P C00J 178.6(6) . . . . ?
O4 C00U C013 C012 178.9(7) . . . . ?
O6 C00E C00T C017 -176.7(6) . . . . ?
O6 C00E C00Z N2 -4.6(9) . . . . ?
O6 C00E C00Z C00V 178.2(6) . . . . ?
O1 C00S C00Y C018 -179.1(8) . . . . ?
O1 C00S C1 O2 3.5(11) . . . . ?
O1 C00S C1 C3 -180.0(7) . . . . ?
O2 C1 C3 C00C -3.9(12) . . . . ?
O2 C1 C3 C00W 176.4(7) . . . . ?
N2 C00H C015 C00Q -4.4(11) . . . . ?
N2 C00H C015 C01A 176.9(7) . . . . ?
C00C N1 C00G C00M 19.6(10) . . . . ?
C00C N1 C00G C00N -161.4(6) . . . . ?
C00E C00T C017 C00X -1.2(11) . . . . ?
N1 C00C C3 C00W -175.7(7) . . . . ?
N1 C00C C3 C1 4.6(12) . . . . ?
N1 C00G C00M C016 178.9(6) . . . . ?
N1 C00G C00N O3 3.0(9) . . . . ?
N1 C00G C00N C00P -179.6(6) . . . . ?
C00G C00M C016 C00J 0.0(11) . . . . ?
C00G C00N C00P C00J 1.3(10) . . . . ?
C00H N2 C00Z C00E 163.0(6) . . . . ?
C00H N2 C00Z C00V -20.0(10) . . . . ?
C00H C015 C01A C012 -179.7(7) . . . . ?
C00M C00G C00N O3 -178.0(6) . . . . ?
C00M C00G C00N C00P -0.6(10) . . . . ?
C00N C00G C00M C016 0.0(10) . . . . ?
C00O O4 C00U C00Q 173.9(6) . . . . ?
C00O O4 C00U C013 -5.8(10) . . . . ?
C00P C00J C016 C00M 0.7(11) . . . . ?
C00Q C00U C013 C012 -0.8(11) . . . . ?
C00Q C015 C01A C012 1.6(11) . . . . ?
C00S C00Y C018 C00W -2.2(13) . . . . ?
C00S C1 C3 C00C 179.8(6) . . . . ?
C00S C1 C3 C00W 0.2(11) . . . . ?
C00T C00E C00Z N2 177.8(6) . . . . ?
C00T C00E C00Z C00V 0.6(10) . . . . ?
C00U C00Q C015 C00H 179.4(6) . . . . ?
C00U C00Q C015 C01A -2.0(10) . . . . ?
C00V C00X C017 C00T 0.2(12) . . . . ?
C00X C00V C00Z N2 -178.4(6) . . . . ?
C00X C00V C00Z C00E -1.5(10) . . . . ?
C00Y C00S C1 O2 -177.3(7) . . . . ?
C00Y C00S C1 C3 -0.8(12) . . . . ?
C00Z N2 C00H C015 177.1(6) . . . . ?
C00Z C00E C00T C017 0.8(11) . . . . ?
C00Z C00V C00X C017 1.1(12) . . . . ?
C010 O1 C00S C00Y -3.5(12) . . . . ?
C010 O1 C00S C1 175.7(7) . . . . ?
C013 C012 C01A C015 -0.7(13) . . . . ?
C015 C00Q C00U O4 -178.1(6) . . . . ?
C015 C00Q C00U C013 1.7(10) . . . . ?
C016 C00J C00P C00N -1.3(11) . . . . ?
C018 C00W C3 C00C 179.7(7) . . . . ?
C018 C00W C3 C1 -0.6(12) . . . . ?
C01A C012 C013 C00U 0.4(13) . . . . ?
C1 C00S C00Y C018 1.8(13) . . . . ?
C3 C00C N1 Dy1 7.1(11) . . . . ?
C3 C00C N1 C00G -175.5(6) . . . . ?
C3 C00W C018 C00Y 1.6(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
