# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_Dy6-Br
_database_code_depnum_ccdc_archive 'CCDC 1445859'
_audit_update_record             
;
2016-01-07 deposited with the CCDC.
2016-06-30 downloaded from the CCDC.
;
_audit_creation_date             2015-12-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C40 H66 Dy6 N12 O26, 8(Br), 6(C H4 O), 2(C2 H3 N)'
_chemical_formula_sum            'C50 H96 Br8 Dy6 N14 O32'
_chemical_formula_weight         3019.68
_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'
Br Br -0.2901 2.4595 '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                   11.225(2)
_cell_length_b                   12.338(2)
_cell_length_c                   18.269(3)
_cell_angle_alpha                72.433(3)
_cell_angle_beta                 82.638(4)
_cell_angle_gamma                89.180(4)
_cell_volume                     2391.5(7)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4912
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.11
_cell_measurement_theta_min      2.30
_shelx_estimated_absorpt_T_max   0.447
_shelx_estimated_absorpt_T_min   0.158
_exptl_absorpt_coefficient_mu    8.043
_exptl_absorpt_correction_T_max  0.0101
_exptl_absorpt_correction_T_min  0.0013
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1206 before and 0.0446 after correction.
The Ratio of minimum to maximum transmission is 0.1287.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    2.097
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BAR-SHAPED
_exptl_crystal_F_000             1426
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_unetI/netI     0.0749
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14996
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.160
_diffrn_reflns_theta_min         1.776
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6064
_reflns_number_total             9415
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         5.740
_refine_diff_density_min         -1.154
_refine_diff_density_rms         0.394
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         9415
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1206
_refine_ls_R_factor_gt           0.0851
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1560P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2260
_refine_ls_wR_factor_ref         0.2555
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 C21-O14
 1.43 with sigma of 0.02
 C24-O17
 1.43 with sigma of 0.02
3.a Riding coordinates:
 O3(H3), O6(H6), O7(H7), O8(H8A,H8B), O9(H9A,H9B), O10(H10A,H10B), O11(H11A,
 H11B), O12(H12A,H12B), O13(H13A,H13B), N2(H2), N5(H5), O14(H14), O16(H16A),
 O17(H17A)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3A), C4(H4), C5(H5A), C8(H8), C10(H10), C12(H12), C13(H13), C15(H15),
 C16(H16), C17(H17)
3.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.20687(8) 0.23217(7) 0.31232(4) 0.0489(2) Uani 1 1 d . . . . .
Dy2 Dy 0.08401(8) 0.47799(7) 0.19687(4) 0.0468(2) Uani 1 1 d . . . . .
Dy3 Dy 0.14225(7) 0.24671(7) 0.12677(4) 0.0455(2) Uani 1 1 d . . . . .
O1 O -0.1808(13) 0.7487(10) -0.4417(7) 0.059(3) Uani 1 1 d . . . . .
O2 O -0.1467(11) 0.5874(10) -0.3170(6) 0.050(3) Uani 1 1 d . . . . .
O3 O 0.0668(12) 0.4217(9) 0.0917(6) 0.052(3) Uani 1 1 d . . . . .
H3 H 0.0146 0.4487 0.0574 0.077 Uiso 1 1 d R . . . .
O4 O 0.2315(11) 0.1232(10) 0.2264(7) 0.052(3) Uani 1 1 d . . . . .
O5 O 0.3191(12) 0.0593(11) 0.3570(7) 0.059(3) Uani 1 1 d . . . . .
O6 O 0.0472(11) 0.2774(10) 0.2433(6) 0.050(3) Uani 1 1 d . . . . .
H6 H -0.0256 0.2438 0.2603 0.075 Uiso 1 1 d R . . . .
O7 O 0.2485(10) 0.3580(10) 0.1862(6) 0.046(3) Uani 1 1 d . . . . .
H7 H 0.3193 0.3851 0.1649 0.069 Uiso 1 1 d R . . . .
O8 O 0.2422(12) 0.6064(11) 0.1250(8) 0.061(3) Uani 1 1 d . . . . .
H8A H 0.2337 0.6278 0.0766 0.092 Uiso 1 1 d R . . . .
H8B H 0.3100 0.5737 0.1307 0.092 Uiso 1 1 d R . . . .
O9 O -0.1154(11) 0.4536(11) 0.2571(8) 0.060(3) Uani 1 1 d . . . . .
H9A H -0.1240 0.4683 0.3028 0.089 Uiso 1 1 d R . . . .
H9B H -0.1425 0.3819 0.2667 0.089 Uiso 1 1 d R . . . .
O10 O 0.3250(13) 0.2884(13) 0.0456(8) 0.067(4) Uani 1 1 d . . . . .
H10A H 0.3885 0.2901 0.0718 0.100 Uiso 1 1 d R . . . .
H10B H 0.3253 0.3577 0.0092 0.100 Uiso 1 1 d R . . . .
O11 O -0.0520(11) 0.1641(11) 0.1471(7) 0.053(3) Uani 1 1 d . . . . .
H11A H -0.0578 0.0999 0.1847 0.080 Uiso 1 1 d R . . . .
H11B H -0.0689 0.1501 0.1053 0.080 Uiso 1 1 d R . . . .
O12 O 0.4027(13) 0.2974(12) 0.3127(8) 0.064(3) Uani 1 1 d . . . . .
H12A H 0.4118 0.3148 0.3573 0.095 Uiso 1 1 d R . . . .
H12B H 0.4256 0.3623 0.2727 0.095 Uiso 1 1 d R . . . .
O13 O 0.0577(13) 0.0890(11) 0.3844(8) 0.065(3) Uani 1 1 d . . . . .
H13A H 0.0863 0.0395 0.4237 0.097 Uiso 1 1 d R . . . .
H13B H 0.0335 0.0509 0.3548 0.097 Uiso 1 1 d R . . . .
N1 N -0.0627(13) 0.3589(12) -0.2558(8) 0.049(3) Uani 1 1 d . . . . .
N2 N -0.0231(15) 0.2574(12) -0.2080(8) 0.055(4) Uani 1 1 d . . . . .
H2 H -0.0277 0.1960 -0.2207 0.066 Uiso 1 1 d R . . . .
N3 N 0.0118(14) 0.3500(11) -0.1194(7) 0.047(3) Uani 1 1 d . . . . .
N4 N 0.1814(14) 0.0646(12) 0.0907(9) 0.053(3) Uani 1 1 d . . . . .
N5 N 0.1432(15) 0.0629(13) 0.0209(8) 0.055(4) Uani 1 1 d . . . . .
H5 H 0.1471 0.0009 0.0085 0.066 Uiso 1 1 d R . . . .
N6 N 0.0907(13) 0.2522(12) -0.0031(8) 0.047(3) Uani 1 1 d . . . . .
C1 C -0.153(2) 0.8415(17) -0.5141(10) 0.066(5) Uani 1 1 d . . . . .
H1A H -0.1643 0.9132 -0.5040 0.100 Uiso 1 1 calc GR . . . .
H1B H -0.2059 0.8354 -0.5502 0.100 Uiso 1 1 calc GR . . . .
H1C H -0.0713 0.8368 -0.5357 0.100 Uiso 1 1 calc GR . . . .
C2 C -0.1728(19) 0.6361(16) -0.4470(11) 0.059(5) Uani 1 1 d . . . . .
C3 C -0.1813(18) 0.6132(17) -0.5160(10) 0.055(4) Uani 1 1 d . . . . .
H3A H -0.1968 0.6699 -0.5604 0.066 Uiso 1 1 calc R . . . .
C4 C -0.1650(18) 0.4978(17) -0.5151(11) 0.058(5) Uani 1 1 d . . . . .
H4 H -0.1714 0.4783 -0.5598 0.069 Uiso 1 1 calc R . . . .
C5 C -0.1408(18) 0.4169(14) -0.4512(11) 0.055(4) Uani 1 1 d . . . . .
H5A H -0.1313 0.3426 -0.4527 0.066 Uiso 1 1 calc R . . . .
C6 C -0.1295(16) 0.4415(16) -0.3820(11) 0.054(4) Uani 1 1 d . . . . .
C7 C -0.1472(14) 0.5546(13) -0.3805(9) 0.041(3) Uani 1 1 d . . . . .
C8 C -0.0873(17) 0.3530(15) -0.3211(9) 0.052(4) Uani 1 1 d . . . . .
H8 H -0.0764 0.2829 -0.3299 0.062 Uiso 1 1 calc R . . . .
C9 C 0.0213(15) 0.2540(16) -0.1416(10) 0.050(4) Uani 1 1 d . . . . .
C10 C 0.0665(17) 0.1558(14) -0.0971(9) 0.051(4) Uani 1 1 d . . . . .
H10 H 0.0746 0.0920 -0.1142 0.061 Uiso 1 1 calc R . . . .
C11 C 0.1000(15) 0.1533(14) -0.0260(10) 0.047(4) Uani 1 1 d . . . . .
C12 C 0.0473(16) 0.3414(15) -0.0507(10) 0.050(4) Uani 1 1 d . . . . .
H12 H 0.0403 0.4063 -0.0348 0.060 Uiso 1 1 calc R . . . .
C13 C 0.2249(16) -0.0292(16) 0.1284(10) 0.050(4) Uani 1 1 d . . . . .
H13 H 0.2299 -0.0860 0.1045 0.060 Uiso 1 1 calc R . . . .
C14 C 0.2667(17) -0.0579(16) 0.2020(10) 0.054(4) Uani 1 1 d . . . . .
C15 C 0.3080(18) -0.1700(18) 0.2324(11) 0.060(5) Uani 1 1 d . . . . .
H15 H 0.3063 -0.2201 0.2034 0.072 Uiso 1 1 calc R . . . .
C16 C 0.351(2) -0.2084(17) 0.3048(13) 0.067(5) Uani 1 1 d . . . . .
H16 H 0.3782 -0.2822 0.3231 0.081 Uiso 1 1 calc R . . . .
C17 C 0.3531(17) -0.1346(16) 0.3472(11) 0.056(4) Uani 1 1 d . . . . .
H17 H 0.3783 -0.1595 0.3959 0.067 Uiso 1 1 calc R . . . .
C18 C 0.3177(18) -0.0221(16) 0.3185(9) 0.054(4) Uani 1 1 d . . . . .
C19 C 0.2699(13) 0.0143(14) 0.2481(9) 0.041(3) Uani 1 1 d . . . . .
C20 C 0.379(2) 0.0230(19) 0.4307(11) 0.067(5) Uani 1 1 d . . . . .
H20A H 0.3806 0.0855 0.4516 0.100 Uiso 1 1 calc GR . . . .
H20B H 0.4595 0.0005 0.4189 0.100 Uiso 1 1 calc GR . . . .
H20C H 0.3342 -0.0399 0.4679 0.100 Uiso 1 1 calc GR . . . .
Br2 Br 0.4722(2) 0.5584(2) 0.21197(15) 0.0785(6) Uani 1 1 d . . . . .
Br3 Br 0.06003(19) 0.05967(16) 0.71009(10) 0.0586(5) Uani 1 1 d . . . . .
Br1 Br 0.8198(2) 0.2276(2) 0.40799(14) 0.0786(6) Uani 1 1 d . . . . .
Br4 Br 0.75769(18) 0.16911(16) 0.02839(11) 0.0558(4) Uani 1 1 d . . . . .
O14 O 0.6005(18) 0.1863(17) 0.3182(13) 0.111(7) Uani 1 1 d D . . . .
H14 H 0.6575 0.2270 0.3184 0.166 Uiso 1 1 d R . . . .
C21 C 0.635(3) 0.126(4) 0.264(2) 0.137(14) Uani 1 1 d D . . . .
H21A H 0.5725 0.0721 0.2674 0.206 Uiso 1 1 calc GR . . . .
H21B H 0.7078 0.0870 0.2764 0.206 Uiso 1 1 calc GR . . . .
H21C H 0.6478 0.1787 0.2131 0.206 Uiso 1 1 calc GR . . . .
O16 O 0.6224(14) 0.7702(14) 0.0816(8) 0.073(4) Uani 1 1 d . . . . .
H16A H 0.6371 0.7517 0.0419 0.110 Uiso 1 1 d R . . . .
C23 C 0.550(2) 0.869(3) 0.0657(15) 0.095(9) Uani 1 1 d . . . . .
H23A H 0.4722 0.8489 0.0562 0.143 Uiso 1 1 calc GR . . . .
H23B H 0.5879 0.9260 0.0208 0.143 Uiso 1 1 calc GR . . . .
H23C H 0.5411 0.8976 0.1093 0.143 Uiso 1 1 calc GR . . . .
O17 O 0.731(2) 0.6143(19) 0.2780(15) 0.134(9) Uani 1 1 d D . . . .
H17A H 0.6703 0.5851 0.2708 0.200 Uiso 1 1 d R . . . .
C24 C 0.707(2) 0.7245(18) 0.2788(16) 0.086(7) Uani 1 1 d D . . . .
H24A H 0.7133 0.7742 0.2266 0.129 Uiso 1 1 calc GR . . . .
H24B H 0.7642 0.7488 0.3059 0.129 Uiso 1 1 calc GR . . . .
H24C H 0.6274 0.7268 0.3045 0.129 Uiso 1 1 calc GR . . . .
N7 N 0.452(2) 0.239(3) 0.5257(16) 0.110(8) Uani 1 1 d . . . . .
C25 C 0.530(4) 0.424(3) 0.427(3) 0.137(14) Uani 1 1 d . . . . .
H25A H 0.5858 0.4126 0.3862 0.206 Uiso 1 1 calc GR . . . .
H25B H 0.5678 0.4663 0.4543 0.206 Uiso 1 1 calc GR . . . .
H25C H 0.4621 0.4643 0.4063 0.206 Uiso 1 1 calc GR . . . .
C26 C 0.491(3) 0.319(3) 0.4781(15) 0.083(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 Dy2 3.5091(12) . ?
Dy1 Dy3 3.5084(12) . ?
Dy1 O1 2.426(12) 2_565 ?
Dy1 O2 2.340(12) 2_565 ?
Dy1 O4 2.344(11) . ?
Dy1 O5 2.437(13) . ?
Dy1 O6 2.288(12) . ?
Dy1 O7 2.350(12) . ?
Dy1 O12 2.353(14) . ?
Dy1 O13 2.403(14) . ?
Dy2 Dy3 3.4853(11) . ?
Dy2 O2 2.296(11) 2_565 ?
Dy2 O3 2.261(11) . ?
Dy2 O6 2.385(11) . ?
Dy2 O7 2.376(11) . ?
Dy2 O8 2.370(14) . ?
Dy2 O9 2.345(13) . ?
Dy2 N1 2.549(14) 2_565 ?
Dy2 N3 2.485(13) 2_565 ?
Dy3 O3 2.245(11) . ?
Dy3 O4 2.322(11) . ?
Dy3 O6 2.390(11) . ?
Dy3 O7 2.401(10) . ?
Dy3 O10 2.336(14) . ?
Dy3 O11 2.358(13) . ?
Dy3 N4 2.543(13) . ?
Dy3 N6 2.494(13) . ?
O1 Dy1 2.426(12) 2_565 ?
O1 C1 1.47(2) . ?
O1 C2 1.42(2) . ?
O2 Dy1 2.340(12) 2_565 ?
O2 Dy2 2.296(11) 2_565 ?
O2 C7 1.340(18) . ?
O3 H3 0.9001 . ?
O4 C19 1.361(19) . ?
O5 C18 1.39(2) . ?
O5 C20 1.52(2) . ?
O6 H6 0.8969 . ?
O7 H7 0.8631 . ?
O8 H8A 0.8601 . ?
O8 H8B 0.8596 . ?
O9 H9A 0.8997 . ?
O9 H9B 0.8979 . ?
O10 H10A 0.9114 . ?
O10 H10B 0.9108 . ?
O11 H11A 0.8748 . ?
O11 H11B 0.8747 . ?
O12 H12A 0.9205 . ?
O12 H12B 0.9205 . ?
O13 H13A 0.8831 . ?
O13 H13B 0.8840 . ?
N1 Dy2 2.549(14) 2_565 ?
N1 N2 1.40(2) . ?
N1 C8 1.28(2) . ?
N2 H2 0.8596 . ?
N2 C9 1.36(2) . ?
N3 Dy2 2.485(13) 2_565 ?
N3 C9 1.36(2) . ?
N3 C12 1.34(2) . ?
N4 N5 1.40(2) . ?
N4 C13 1.28(2) . ?
N5 H5 0.8603 . ?
N5 C11 1.31(2) . ?
N6 C11 1.40(2) . ?
N6 C12 1.31(2) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.39(2) . ?
C2 C7 1.38(2) . ?
C3 H3A 0.9300 . ?
C3 C4 1.43(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.34(3) . ?
C5 H5A 0.9300 . ?
C5 C6 1.41(2) . ?
C6 C7 1.41(2) . ?
C6 C8 1.43(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.37(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.39(2) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.42(2) . ?
C14 C15 1.42(3) . ?
C14 C19 1.40(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.41(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.36(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.40(3) . ?
C18 C19 1.40(2) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
O14 H14 0.8199 . ?
O14 C21 1.413(18) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
O16 H16A 0.8203 . ?
O16 C23 1.43(3) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
O17 H17A 0.8199 . ?
O17 C24 1.387(18) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
N7 C26 1.15(4) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C25 C26 1.38(5) . ?

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
Dy3 Dy1 Dy2 59.56(2) . . ?
O1 Dy1 Dy2 105.0(3) 2_565 . ?
O1 Dy1 Dy3 159.4(3) 2_565 . ?
O1 Dy1 O5 90.4(4) 2_565 . ?
O2 Dy1 Dy2 40.3(3) 2_565 . ?
O2 Dy1 Dy3 99.9(3) 2_565 . ?
O2 Dy1 O1 66.1(4) 2_565 2_565 ?
O2 Dy1 O4 140.6(4) 2_565 . ?
O2 Dy1 O5 151.9(4) 2_565 . ?
O2 Dy1 O7 72.7(4) 2_565 . ?
O2 Dy1 O12 85.6(4) 2_565 . ?
O2 Dy1 O13 111.0(4) 2_565 . ?
O4 Dy1 Dy2 100.4(3) . . ?
O4 Dy1 Dy3 41.0(3) . . ?
O4 Dy1 O1 152.1(4) . 2_565 ?
O4 Dy1 O5 65.6(4) . . ?
O4 Dy1 O7 72.3(4) . . ?
O4 Dy1 O12 104.2(4) . . ?
O4 Dy1 O13 84.3(4) . . ?
O5 Dy1 Dy2 163.8(3) . . ?
O5 Dy1 Dy3 106.5(3) . . ?
O6 Dy1 Dy2 42.4(3) . . ?
O6 Dy1 Dy3 42.5(3) . . ?
O6 Dy1 O1 117.0(4) . 2_565 ?
O6 Dy1 O2 73.3(4) . 2_565 ?
O6 Dy1 O4 75.6(4) . . ?
O6 Dy1 O5 133.7(4) . . ?
O6 Dy1 O7 63.8(4) . . ?
O6 Dy1 O12 140.6(5) . . ?
O6 Dy1 O13 76.9(5) . . ?
O7 Dy1 Dy2 42.3(3) . . ?
O7 Dy1 Dy3 43.0(3) . . ?
O7 Dy1 O1 135.3(4) . 2_565 ?
O7 Dy1 O5 122.1(4) . . ?
O7 Dy1 O12 78.4(4) . . ?
O7 Dy1 O13 137.9(4) . . ?
O12 Dy1 Dy2 101.4(3) . . ?
O12 Dy1 Dy3 113.2(3) . . ?
O12 Dy1 O1 81.9(5) . 2_565 ?
O12 Dy1 O5 75.5(5) . . ?
O12 Dy1 O13 142.4(5) . . ?
O13 Dy1 Dy2 113.1(3) . . ?
O13 Dy1 Dy3 97.3(3) . . ?
O13 Dy1 O1 75.4(5) . 2_565 ?
O13 Dy1 O5 75.1(5) . . ?
Dy3 Dy2 Dy1 60.21(2) . . ?
O2 Dy2 Dy1 41.3(3) 2_565 . ?
O2 Dy2 Dy3 101.5(3) 2_565 . ?
O2 Dy2 O6 72.3(4) 2_565 . ?
O2 Dy2 O7 73.0(4) 2_565 . ?
O2 Dy2 O8 102.4(4) 2_565 . ?
O2 Dy2 O9 88.8(4) 2_565 . ?
O2 Dy2 N1 73.2(4) 2_565 2_565 ?
O2 Dy2 N3 137.7(4) 2_565 2_565 ?
O3 Dy2 Dy1 99.4(3) . . ?
O3 Dy2 Dy3 39.2(3) . . ?
O3 Dy2 O2 140.6(4) . 2_565 ?
O3 Dy2 O6 73.7(4) . . ?
O3 Dy2 O7 74.0(4) . . ?
O3 Dy2 O8 89.9(5) . . ?
O3 Dy2 O9 100.7(4) . . ?
O3 Dy2 N1 146.1(4) . 2_565 ?
O3 Dy2 N3 81.6(4) . 2_565 ?
O6 Dy2 Dy1 40.3(3) . . ?
O6 Dy2 Dy3 43.2(3) . . ?
O6 Dy2 N1 135.6(4) . 2_565 ?
O6 Dy2 N3 138.3(4) . 2_565 ?
O7 Dy2 Dy1 41.8(3) . . ?
O7 Dy2 Dy3 43.4(2) . . ?
O7 Dy2 O6 62.0(4) . . ?
O7 Dy2 N1 130.2(4) . 2_565 ?
O7 Dy2 N3 140.8(4) . 2_565 ?
O8 Dy2 Dy1 109.0(3) . . ?
O8 Dy2 Dy3 101.3(3) . . ?
O8 Dy2 O6 137.9(4) . . ?
O8 Dy2 O7 76.3(4) . . ?
O8 Dy2 N1 76.6(5) . 2_565 ?
O8 Dy2 N3 73.4(5) . 2_565 ?
O9 Dy2 Dy1 99.6(3) . . ?
O9 Dy2 Dy3 106.3(3) . . ?
O9 Dy2 O6 74.6(4) . . ?
O9 Dy2 O7 136.2(4) . . ?
O9 Dy2 O8 147.4(4) . . ?
O9 Dy2 N1 77.7(4) . 2_565 ?
O9 Dy2 N3 77.8(5) . 2_565 ?
N1 Dy2 Dy1 114.4(3) 2_565 . ?
N1 Dy2 Dy3 173.5(3) 2_565 . ?
N3 Dy2 Dy1 177.3(3) 2_565 . ?
N3 Dy2 Dy3 120.7(3) 2_565 . ?
N3 Dy2 N1 64.9(4) 2_565 2_565 ?
Dy2 Dy3 Dy1 60.23(2) . . ?
O3 Dy3 Dy1 99.7(3) . . ?
O3 Dy3 Dy2 39.5(3) . . ?
O3 Dy3 O4 141.0(4) . . ?
O3 Dy3 O6 73.9(4) . . ?
O3 Dy3 O7 73.8(4) . . ?
O3 Dy3 O10 97.6(5) . . ?
O3 Dy3 O11 90.8(5) . . ?
O3 Dy3 N4 145.7(5) . . ?
O3 Dy3 N6 80.9(4) . . ?
O4 Dy3 Dy1 41.5(3) . . ?
O4 Dy3 Dy2 101.6(3) . . ?
O4 Dy3 O6 74.2(4) . . ?
O4 Dy3 O7 71.7(4) . . ?
O4 Dy3 O10 92.2(5) . . ?
O4 Dy3 O11 101.7(4) . . ?
O4 Dy3 N4 73.2(5) . . ?
O4 Dy3 N6 138.0(4) . . ?
O6 Dy3 Dy1 40.3(3) . . ?
O6 Dy3 Dy2 43.1(3) . . ?
O6 Dy3 O7 61.6(4) . . ?
O6 Dy3 N4 131.1(4) . . ?
O6 Dy3 N6 138.7(4) . . ?
O7 Dy3 Dy1 41.8(3) . . ?
O7 Dy3 Dy2 42.9(3) . . ?
O7 Dy3 N4 135.5(4) . . ?
O7 Dy3 N6 140.0(4) . . ?
O10 Dy3 Dy1 106.1(3) . . ?
O10 Dy3 Dy2 106.5(3) . . ?
O10 Dy3 O6 139.1(4) . . ?
O10 Dy3 O7 77.6(4) . . ?
O10 Dy3 O11 146.0(4) . . ?
O10 Dy3 N4 77.3(5) . . ?
O10 Dy3 N6 75.6(5) . . ?
O11 Dy3 Dy1 104.9(3) . . ?
O11 Dy3 Dy2 100.9(3) . . ?
O11 Dy3 O6 74.8(4) . . ?
O11 Dy3 O7 136.2(4) . . ?
O11 Dy3 N4 77.4(4) . . ?
O11 Dy3 N6 73.3(4) . . ?
N4 Dy3 Dy1 114.3(4) . . ?
N4 Dy3 Dy2 173.9(3) . . ?
N6 Dy3 Dy1 178.1(3) . . ?
N6 Dy3 Dy2 120.4(3) . . ?
N6 Dy3 N4 64.9(5) . . ?
C1 O1 Dy1 125.9(11) . 2_565 ?
C2 O1 Dy1 116.6(10) . 2_565 ?
C2 O1 C1 116.7(14) . . ?
Dy2 O2 Dy1 98.4(4) 2_565 2_565 ?
C7 O2 Dy1 122.4(10) . 2_565 ?
C7 O2 Dy2 138.9(10) . 2_565 ?
Dy2 O3 H3 125.7 . . ?
Dy3 O3 Dy2 101.3(5) . . ?
Dy3 O3 H3 127.8 . . ?
Dy3 O4 Dy1 97.5(4) . . ?
C19 O4 Dy1 122.0(9) . . ?
C19 O4 Dy3 139.5(10) . . ?
C18 O5 Dy1 118.6(10) . . ?
C18 O5 C20 114.9(14) . . ?
C20 O5 Dy1 126.0(10) . . ?
Dy1 O6 Dy2 97.3(4) . . ?
Dy1 O6 Dy3 97.2(4) . . ?
Dy1 O6 H6 123.0 . . ?
Dy2 O6 Dy3 93.8(4) . . ?
Dy2 O6 H6 124.7 . . ?
Dy3 O6 H6 114.2 . . ?
Dy1 O7 Dy2 95.9(4) . . ?
Dy1 O7 Dy3 95.2(4) . . ?
Dy1 O7 H7 124.0 . . ?
Dy2 O7 Dy3 93.7(4) . . ?
Dy2 O7 H7 121.9 . . ?
Dy3 O7 H7 119.1 . . ?
Dy2 O8 H8A 110.1 . . ?
Dy2 O8 H8B 109.7 . . ?
H8A O8 H8B 108.9 . . ?
Dy2 O9 H9A 112.5 . . ?
Dy2 O9 H9B 111.4 . . ?
H9A O9 H9B 106.7 . . ?
Dy3 O10 H10A 112.8 . . ?
Dy3 O10 H10B 112.0 . . ?
H10A O10 H10B 106.1 . . ?
Dy3 O11 H11A 110.8 . . ?
Dy3 O11 H11B 110.9 . . ?
H11A O11 H11B 108.1 . . ?
Dy1 O12 H12A 112.8 . . ?
Dy1 O12 H12B 113.1 . . ?
H12A O12 H12B 105.7 . . ?
Dy1 O13 H13A 111.2 . . ?
Dy1 O13 H13B 111.0 . . ?
H13A O13 H13B 107.6 . . ?
N2 N1 Dy2 115.2(9) . 2_565 ?
C8 N1 Dy2 130.5(12) . 2_565 ?
C8 N1 N2 114.3(14) . . ?
N1 N2 H2 119.4 . . ?
C9 N2 N1 121.0(14) . . ?
C9 N2 H2 119.6 . . ?
C9 N3 Dy2 121.1(11) . 2_565 ?
C12 N3 Dy2 123.1(10) . 2_565 ?
C12 N3 C9 115.6(14) . . ?
N5 N4 Dy3 115.7(10) . . ?
C13 N4 Dy3 130.0(12) . . ?
C13 N4 N5 114.1(13) . . ?
N4 N5 H5 119.4 . . ?
C11 N5 N4 121.8(14) . . ?
C11 N5 H5 118.8 . . ?
C11 N6 Dy3 119.5(10) . . ?
C12 N6 Dy3 123.8(10) . . ?
C12 N6 C11 116.6(13) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 121.4(17) . . ?
C7 C2 O1 114.9(14) . . ?
C7 C2 C3 123.5(16) . . ?
C2 C3 H3A 121.9 . . ?
C2 C3 C4 116.2(17) . . ?
C4 C3 H3A 121.9 . . ?
C3 C4 H4 119.2 . . ?
C5 C4 C3 121.6(15) . . ?
C5 C4 H4 119.2 . . ?
C4 C5 H5A 119.1 . . ?
C4 C5 C6 121.8(16) . . ?
C6 C5 H5A 119.1 . . ?
C5 C6 C7 118.1(17) . . ?
C5 C6 C8 117.1(16) . . ?
C7 C6 C8 124.4(15) . . ?
O2 C7 C2 117.2(14) . . ?
O2 C7 C6 123.9(15) . . ?
C2 C7 C6 118.9(15) . . ?
N1 C8 C6 127.7(16) . . ?
N1 C8 H8 116.2 . . ?
C6 C8 H8 116.2 . . ?
N2 C9 N3 116.9(15) . . ?
N2 C9 C10 121.0(16) . . ?
N3 C9 C10 122.0(15) . . ?
C9 C10 H10 120.6 . . ?
C9 C10 C11 118.9(15) . . ?
C11 C10 H10 120.6 . . ?
N5 C11 N6 117.6(14) . . ?
N5 C11 C10 123.2(15) . . ?
C10 C11 N6 119.2(15) . . ?
N3 C12 H12 116.1 . . ?
N6 C12 N3 127.8(14) . . ?
N6 C12 H12 116.1 . . ?
N4 C13 H13 115.7 . . ?
N4 C13 C14 128.7(16) . . ?
C14 C13 H13 115.7 . . ?
C15 C14 C13 117.5(17) . . ?
C19 C14 C13 125.8(17) . . ?
C19 C14 C15 116.6(16) . . ?
C14 C15 H15 118.6 . . ?
C16 C15 C14 122.7(17) . . ?
C16 C15 H15 118.6 . . ?
C15 C16 H16 120.9 . . ?
C17 C16 C15 118.3(18) . . ?
C17 C16 H16 120.9 . . ?
C16 C17 H17 119.4 . . ?
C16 C17 C18 121.1(17) . . ?
C18 C17 H17 119.4 . . ?
O5 C18 C17 124.9(15) . . ?
O5 C18 C19 114.7(16) . . ?
C17 C18 C19 120.3(16) . . ?
O4 C19 C14 122.6(14) . . ?
O4 C19 C18 116.6(15) . . ?
C18 C19 C14 120.7(15) . . ?
O5 C20 H20A 109.5 . . ?
O5 C20 H20B 109.5 . . ?
O5 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C21 O14 H14 108.2 . . ?
O14 C21 H21A 109.5 . . ?
O14 C21 H21B 109.5 . . ?
O14 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 O16 H16A 108.5 . . ?
O16 C23 H23A 109.5 . . ?
O16 C23 H23B 109.5 . . ?
O16 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C24 O17 H17A 109.1 . . ?
O17 C24 H24A 109.5 . . ?
O17 C24 H24B 109.5 . . ?
O17 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
N7 C26 C25 172(4) . . ?

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 C2 C3 167.3(15) 2_565 . . . ?
Dy1 O1 C2 C7 -17(2) 2_565 . . . ?
Dy1 O2 C7 C2 7(2) 2_565 . . . ?
Dy1 O2 C7 C6 -169.9(13) 2_565 . . . ?
Dy1 O4 C19 C14 169.4(12) . . . . ?
Dy1 O4 C19 C18 -13(2) . . . . ?
Dy1 O5 C18 C17 -164.5(16) . . . . ?
Dy1 O5 C18 C19 12(2) . . . . ?
Dy2 O2 C7 C2 -166.0(14) 2_565 . . . ?
Dy2 O2 C7 C6 17(3) 2_565 . . . ?
Dy2 N1 N2 C9 -12(2) 2_565 . . . ?
Dy2 N1 C8 C6 3(3) 2_565 . . . ?
Dy2 N3 C9 N2 0(2) 2_565 . . . ?
Dy2 N3 C9 C10 -175.6(13) 2_565 . . . ?
Dy2 N3 C12 N6 174.9(15) 2_565 . . . ?
Dy3 O4 C19 C14 4(3) . . . . ?
Dy3 O4 C19 C18 -178.5(12) . . . . ?
Dy3 N4 N5 C11 6(2) . . . . ?
Dy3 N4 C13 C14 -1(3) . . . . ?
Dy3 N6 C11 N5 -4(2) . . . . ?
Dy3 N6 C11 C10 177.4(13) . . . . ?
Dy3 N6 C12 N3 -176.4(14) . . . . ?
O1 C2 C3 C4 176.5(18) . . . . ?
O1 C2 C7 O2 7(2) . . . . ?
O1 C2 C7 C6 -175.7(16) . . . . ?
O5 C18 C19 O4 0(2) . . . . ?
O5 C18 C19 C14 177.8(16) . . . . ?
N1 N2 C9 N3 8(2) . . . . ?
N1 N2 C9 C10 -176.2(16) . . . . ?
N2 N1 C8 C6 180.0(18) . . . . ?
N2 C9 C10 C11 -173.8(17) . . . . ?
N3 C9 C10 C11 2(3) . . . . ?
N4 N5 C11 N6 -1(3) . . . . ?
N4 N5 C11 C10 177.0(16) . . . . ?
N4 C13 C14 C15 178.2(19) . . . . ?
N4 C13 C14 C19 -1(3) . . . . ?
N5 N4 C13 C14 -177.1(18) . . . . ?
C1 O1 C2 C3 -22(3) . . . . ?
C1 O1 C2 C7 153.1(17) . . . . ?
C2 C3 C4 C5 -1(3) . . . . ?
C3 C2 C7 O2 -177.3(18) . . . . ?
C3 C2 C7 C6 0(3) . . . . ?
C3 C4 C5 C6 0(3) . . . . ?
C4 C5 C6 C7 1(3) . . . . ?
C4 C5 C6 C8 -171.5(19) . . . . ?
C5 C6 C7 O2 175.5(16) . . . . ?
C5 C6 C7 C2 -1(3) . . . . ?
C5 C6 C8 N1 175.0(19) . . . . ?
C7 C2 C3 C4 2(3) . . . . ?
C7 C6 C8 N1 2(3) . . . . ?
C8 N1 N2 C9 171.3(17) . . . . ?
C8 C6 C7 O2 -12(3) . . . . ?
C8 C6 C7 C2 171.4(18) . . . . ?
C9 N3 C12 N6 1(3) . . . . ?
C9 C10 C11 N5 179.4(18) . . . . ?
C9 C10 C11 N6 -2(3) . . . . ?
C11 N6 C12 N3 -1(3) . . . . ?
C12 N3 C9 N2 174.8(16) . . . . ?
C12 N3 C9 C10 -1(3) . . . . ?
C12 N6 C11 N5 -180.0(17) . . . . ?
C12 N6 C11 C10 2(2) . . . . ?
C13 N4 N5 C11 -177.8(17) . . . . ?
C13 C14 C15 C16 -180.0(19) . . . . ?
C13 C14 C19 O4 0(3) . . . . ?
C13 C14 C19 C18 -177.4(18) . . . . ?
C14 C15 C16 C17 0(3) . . . . ?
C15 C14 C19 O4 -179.1(16) . . . . ?
C15 C14 C19 C18 3(3) . . . . ?
C15 C16 C17 C18 -3(3) . . . . ?
C16 C17 C18 O5 -178.5(19) . . . . ?
C16 C17 C18 C19 5(3) . . . . ?
C17 C18 C19 O4 176.5(17) . . . . ?
C17 C18 C19 C14 -6(3) . . . . ?
C19 C14 C15 C16 -1(3) . . . . ?
C20 O5 C18 C17 8(3) . . . . ?
C20 O5 C18 C19 -175.9(16) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
