# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2184024'
loop_
_audit_author_name
_audit_author_address
'Ana M. Garcia-Deibe'
;Universidade de Santiago de Compostela
Spain
;
_audit_update_record             
;
2022-07-05 deposited with the CCDC.	2022-09-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C66 H84 Dy4 N8 O18, C H4 O'
_chemical_formula_sum            'C67 H88 Dy4 N8 O19'
_chemical_formula_weight         1959.45

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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.2186(15)
_cell_length_b                   13.5792(10)
_cell_length_c                   17.0915(15)
_cell_angle_alpha                90
_cell_angle_beta                 105.691(3)
_cell_angle_gamma                90
_cell_volume                     3623.9(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1845
_cell_measurement_theta_min      4.93
_cell_measurement_theta_max      52.219

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_F_000             1924
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    4.150
_shelx_estimated_absorpt_T_min   0.706
_shelx_estimated_absorpt_T_max   0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6918
_exptl_absorpt_correction_T_max  0.7422
_exptl_absorpt_process_details   'SADABS-2016/2, (Bruker, 2106)'
_exptl_absorpt_special_details   
;
Additional spherical absorption correction applied with mu*r =  0.2000
 3lambda correction factor = 0.00150
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON III-14'
_diffrn_measurement_method       'omega and phi'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            74882
_diffrn_reflns_av_unetI/netI     0.0526
_diffrn_reflns_av_R_equivalents  0.1037
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.466
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7400
_reflns_number_gt                5768
_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       'APEX3: Bruker AXS Inc. (2019) v2019.1-0'
_computing_cell_refinement       'APEX3: Bruker AXS Inc. (2019) v2019.1-0'
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT-2018/1 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    'WinGX 2018.3 (Farrugia,2012)'
_computing_publication_material  'WinGX 2018.3 (Farrugia,2012)'
__refine_special_details         ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0197P)²+17.5409P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7400
_refine_ls_number_parameters     445
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0410
_refine_ls_wR_factor_ref         0.0823
_refine_ls_wR_factor_gt          0.0729
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.077
_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 0.18268(2) 0.59384(2) 0.27734(2) 0.02040(8) Uani 1 1 d . . . . .
Dy2 Dy 0.39785(2) 0.54264(2) 0.42202(2) 0.02145(8) Uani 1 1 d . . . . .
N11 N 0.1242(3) 0.6832(4) 0.3913(3) 0.0217(11) Uani 1 1 d . . . . .
N12 N 0.1098(3) 0.7610(4) 0.2340(3) 0.0274(13) Uani 1 1 d . . . . .
H12 H 0.149747 0.809924 0.258712 0.033 Uiso 1 1 d R U . . .
N13 N 0.1165(3) 0.6090(4) 0.1231(3) 0.0324(14) Uani 1 1 d . . . . .
H13 H 0.155479 0.627882 0.110255 0.039 Uiso 1 1 d R U . . .
N14 N 0.1680(4) 0.4263(4) 0.2035(3) 0.0334(14) Uani 1 1 d . . . . .
H14 H 0.123570 0.414373 0.209463 0.040 Uiso 1 1 d R U . . .
O11 O 0.3021(3) 0.6691(3) 0.3642(3) 0.0233(10) Uani 1 1 d . . . . .
O12 O 0.0538(3) 0.5313(3) 0.2659(2) 0.0214(9) Uani 1 1 d . . . . .
O13 O 0.2580(3) 0.4827(3) 0.3703(3) 0.0237(10) Uani 1 1 d . . . . .
O1 O 0.2851(3) 0.6036(3) 0.2026(3) 0.0320(11) Uani 1 1 d . . . . .
O2 O 0.4039(3) 0.5478(4) 0.2882(3) 0.0389(12) Uani 1 1 d . . . . .
O3 O 0.4695(3) 0.6767(3) 0.4912(3) 0.0327(11) Uani 1 1 d . . . . .
O4 O 0.5794(3) 0.6250(3) 0.5933(3) 0.0321(11) Uani 1 1 d . . . . .
O5 O 0.5463(3) 0.5234(3) 0.4383(3) 0.0259(10) Uani 1 1 d . . . . .
O6 O 0.6647(3) 0.4388(4) 0.4622(3) 0.0357(12) Uani 1 1 d . . . . .
C1 C 0.3644(4) 0.5889(6) 0.2230(4) 0.0347(17) Uani 1 1 d . . . . .
C2 C 0.4140(5) 0.6220(9) 0.1648(5) 0.076(4) Uani 1 1 d . . . . .
H2A H 0.377638 0.664367 0.122997 0.114 Uiso 1 1 calc R U . . .
H2B H 0.431794 0.564347 0.139013 0.114 Uiso 1 1 calc R U . . .
H2C H 0.464734 0.658937 0.194517 0.114 Uiso 1 1 calc R U . . .
C3 C 0.5367(4) 0.6915(5) 0.5476(4) 0.0283(15) Uani 1 1 d . . . . .
C4 C 0.5694(5) 0.7955(5) 0.5616(5) 0.042(2) Uani 1 1 d . . . . .
H4A H 0.621678 0.802037 0.543623 0.064 Uiso 1 1 calc R U . . .
H4B H 0.582167 0.811200 0.619572 0.064 Uiso 1 1 calc R U . . .
H4C H 0.525766 0.840950 0.530575 0.064 Uiso 1 1 calc R U . . .
C5 C 0.6053(5) 0.4824(5) 0.4129(4) 0.0334(17) Uani 1 1 d . . . . .
C6 C 0.6023(5) 0.4881(8) 0.3252(5) 0.068(3) Uani 1 1 d . . . . .
H6A H 0.604649 0.557250 0.309486 0.102 Uiso 1 1 calc R U . . .
H6B H 0.549053 0.458295 0.292660 0.102 Uiso 1 1 calc R U . . .
H6C H 0.651368 0.452598 0.315786 0.102 Uiso 1 1 calc R U . . .
C100 C 0.3031(4) 0.7648(4) 0.3833(4) 0.0237(14) Uani 1 1 d . . . . .
C101 C 0.3582(4) 0.8310(5) 0.3597(4) 0.0316(16) Uani 1 1 d . . . . .
H101 H 0.393959 0.809218 0.327406 0.038 Uiso 1 1 calc R U . . .
C102 C 0.3598(4) 0.9284(5) 0.3840(4) 0.0325(17) Uani 1 1 d . . . . .
H102 H 0.397994 0.972698 0.368605 0.039 Uiso 1 1 calc R U . . .
C103 C 0.3077(5) 0.9633(5) 0.4300(5) 0.0362(18) Uani 1 1 d . . . . .
H103 H 0.309485 1.030721 0.445344 0.043 Uiso 1 1 calc R U . . .
C104 C 0.2533(4) 0.8985(5) 0.4532(4) 0.0328(16) Uani 1 1 d . . . . .
H104 H 0.217419 0.921830 0.484879 0.039 Uiso 1 1 calc R U . . .
C105 C 0.2498(4) 0.7982(5) 0.4308(4) 0.0287(15) Uani 1 1 d . . . . .
C106 C 0.1939(4) 0.7239(5) 0.4581(4) 0.0270(15) Uani 1 1 d . . . . .
H10A H 0.230396 0.669013 0.485939 0.032 Uiso 1 1 calc R U . . .
H10B H 0.168368 0.755664 0.498185 0.032 Uiso 1 1 calc R U . . .
C107 C 0.0829(4) 0.6019(4) 0.4278(4) 0.0226(14) Uani 1 1 d . . . . .
H10C H 0.122117 0.544634 0.438698 0.027 Uiso 1 1 calc R U . . .
H10D H 0.076257 0.624962 0.480746 0.027 Uiso 1 1 calc R U . . .
C108 C -0.0029(4) 0.5680(4) 0.3768(4) 0.0216(14) Uani 1 1 d . . . . .
C109 C -0.0735(4) 0.5691(5) 0.4078(4) 0.0260(15) Uani 1 1 d . . . . .
H109 H -0.067190 0.592515 0.461462 0.031 Uiso 1 1 calc R U . . .
C110 C -0.1535(4) 0.5365(5) 0.3619(4) 0.0302(15) Uani 1 1 d . . . . .
H110 H -0.200974 0.536118 0.384507 0.036 Uiso 1 1 calc R U . . .
C111 C -0.1628(4) 0.5051(5) 0.2836(4) 0.0289(15) Uani 1 1 d . . . . .
H111 H -0.217300 0.483454 0.251823 0.035 Uiso 1 1 calc R U . . .
C112 C -0.0938(4) 0.5045(4) 0.2505(4) 0.0247(14) Uani 1 1 d . . . . .
H112 H -0.101706 0.483765 0.195912 0.030 Uiso 1 1 calc R U . . .
C113 C -0.0120(4) 0.5343(4) 0.2970(4) 0.0213(13) Uani 1 1 d . . . . .
C114 C 0.0623(4) 0.7643(4) 0.3576(4) 0.0264(15) Uani 1 1 d . . . . .
H11A H 0.089338 0.828208 0.377448 0.032 Uiso 1 1 calc R U . . .
H11B H 0.011259 0.756628 0.378283 0.032 Uiso 1 1 calc R U . . .
C115 C 0.0342(4) 0.7658(5) 0.2659(4) 0.0281(15) Uani 1 1 d . . . . .
H11C H -0.003732 0.708903 0.245628 0.034 Uiso 1 1 calc R U . . .
H11D H 0.001701 0.826858 0.246827 0.034 Uiso 1 1 calc R U . . .
C116 C 0.0862(5) 0.7777(5) 0.1439(4) 0.0376(18) Uani 1 1 d . . . . .
H11E H 0.042321 0.830086 0.129090 0.045 Uiso 1 1 calc R U . . .
H11F H 0.137333 0.799500 0.127453 0.045 Uiso 1 1 calc R U . . .
C117 C 0.0527(4) 0.6862(6) 0.1009(4) 0.0369(18) Uani 1 1 d . . . . .
H11G H 0.000010 0.665929 0.115367 0.044 Uiso 1 1 calc R U . . .
H11H H 0.037846 0.697343 0.041481 0.044 Uiso 1 1 calc R U . . .
C118 C 0.0904(5) 0.5145(6) 0.0832(5) 0.044(2) Uani 1 1 d . . . . .
H11I H 0.082740 0.521725 0.024069 0.053 Uiso 1 1 calc R U . . .
H11J H 0.034571 0.494936 0.091634 0.053 Uiso 1 1 calc R U . . .
C119 C 0.1546(5) 0.4362(6) 0.1155(4) 0.0404(19) Uani 1 1 d . . . . .
H11K H 0.134196 0.372830 0.088464 0.048 Uiso 1 1 calc R U . . .
H11L H 0.209414 0.453082 0.103708 0.048 Uiso 1 1 calc R U . . .
C120 C 0.2279(5) 0.3472(5) 0.2413(5) 0.0381(18) Uani 1 1 d . . . . .
H12A H 0.287469 0.369337 0.247425 0.046 Uiso 1 1 calc R U . . .
H12B H 0.217411 0.288520 0.205624 0.046 Uiso 1 1 calc R U . . .
C121 C 0.2173(4) 0.3202(5) 0.3225(5) 0.0322(17) Uani 1 1 d . . . . .
C122 C 0.1930(4) 0.2258(5) 0.3387(6) 0.043(2) Uani 1 1 d . . . . .
H122 H 0.183026 0.177430 0.297026 0.052 Uiso 1 1 calc R U . . .
C123 C 0.1831(5) 0.2008(6) 0.4136(6) 0.052(2) Uani 1 1 d . . . . .
H123 H 0.165306 0.136283 0.423327 0.062 Uiso 1 1 calc R U . . .
C124 C 0.1991(5) 0.2702(6) 0.4741(6) 0.049(2) Uani 1 1 d . . . . .
H124 H 0.193305 0.253259 0.526272 0.059 Uiso 1 1 calc R U . . .
C125 C 0.2238(4) 0.3651(5) 0.4599(5) 0.0324(16) Uani 1 1 d . . . . .
H125 H 0.234169 0.412668 0.502208 0.039 Uiso 1 1 calc R U . . .
C126 C 0.2335(4) 0.3905(4) 0.3845(4) 0.0284(16) Uani 1 1 d . . . . .
O1S O 0.5492(8) 0.6952(9) 0.7579(8) 0.070(4) Uiso 0.5 1 d . . P . .
H1S H 0.580099 0.728892 0.735810 0.105 Uiso 0.5 1 calc R U P . .
C1S C 0.5846(10) 0.6921(12) 0.8372(10) 0.047(4) Uiso 0.5 1 d . . P . .
H1S1 H 0.647073 0.691515 0.848059 0.071 Uiso 0.5 1 calc R U P . .
H1S2 H 0.565900 0.632254 0.859649 0.071 Uiso 0.5 1 calc R U P . .
H1S3 H 0.566960 0.750043 0.862829 0.071 Uiso 0.5 1 calc R U P . .


_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 O12 2.215(4) . ?
Dy1 O13 2.290(4) . ?
Dy1 O11 2.333(4) . ?
Dy1 O1 2.356(4) . ?
Dy1 N13 2.571(5) . ?
Dy1 N12 2.574(5) . ?
Dy1 N14 2.581(5) . ?
Dy1 N11 2.676(5) . ?
Dy1 Dy2 3.7561(5) . ?
Dy2 O3 2.307(4) . ?
Dy2 O2 2.317(5) . ?
Dy2 O4 2.332(4) 3_666 ?
Dy2 O13 2.346(4) . ?
Dy2 O11 2.347(4) . ?
Dy2 O5 2.363(4) . ?
Dy2 O6 2.468(5) 3_666 ?
Dy2 O5 2.481(4) 3_666 ?
Dy2 C5 2.857(7) 3_666 ?
Dy2 Dy2 3.8274(6) 3_666 ?
N11 C106 1.480(8) . ?
N11 C114 1.496(8) . ?
N11 C107 1.512(7) . ?
N12 C115 1.471(8) . ?
N12 C116 1.500(8) . ?
N12 H12 0.9443 . ?
N13 C117 1.450(8) . ?
N13 C118 1.461(9) . ?
N13 H13 0.7668 . ?
N14 C119 1.467(9) . ?
N14 C120 1.475(9) . ?
N14 H14 0.7725 . ?
O11 C100 1.340(7) . ?
O12 C113 1.315(7) . ?
O13 C126 1.355(7) . ?
O1 C1 1.255(8) . ?
O2 C1 1.255(8) . ?
O3 C3 1.261(8) . ?
O4 C3 1.270(8) . ?
O5 C5 1.280(8) . ?
O6 C5 1.246(8) . ?
C1 C2 1.507(10) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.504(9) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.488(10) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C100 C101 1.400(9) . ?
C100 C105 1.412(9) . ?
C101 C102 1.385(9) . ?
C101 H101 0.9500 . ?
C102 C103 1.385(10) . ?
C102 H102 0.9500 . ?
C103 C104 1.378(9) . ?
C103 H103 0.9500 . ?
C104 C105 1.411(9) . ?
C104 H104 0.9500 . ?
C105 C106 1.511(9) . ?
C106 H10A 0.9900 . ?
C106 H10B 0.9900 . ?
C107 C108 1.500(8) . ?
C107 H10C 0.9900 . ?
C107 H10D 0.9900 . ?
C108 C109 1.385(9) . ?
C108 C113 1.408(9) . ?
C109 C110 1.395(9) . ?
C109 H109 0.9500 . ?
C110 C111 1.373(9) . ?
C110 H110 0.9500 . ?
C111 C112 1.384(9) . ?
C111 H111 0.9500 . ?
C112 C113 1.409(9) . ?
C112 H112 0.9500 . ?
C114 C115 1.510(9) . ?
C114 H11A 0.9900 . ?
C114 H11B 0.9900 . ?
C115 H11C 0.9900 . ?
C115 H11D 0.9900 . ?
C116 C117 1.471(10) . ?
C116 H11E 0.9900 . ?
C116 H11F 0.9900 . ?
C117 H11G 0.9900 . ?
C117 H11H 0.9900 . ?
C118 C119 1.487(10) . ?
C118 H11I 0.9900 . ?
C118 H11J 0.9900 . ?
C119 H11K 0.9900 . ?
C119 H11L 0.9900 . ?
C120 C121 1.489(10) . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C121 C122 1.391(9) . ?
C121 C126 1.397(9) . ?
C122 C123 1.376(12) . ?
C122 H122 0.9500 . ?
C123 C124 1.371(12) . ?
C123 H123 0.9500 . ?
C124 C125 1.390(9) . ?
C124 H124 0.9500 . ?
C125 C126 1.384(10) . ?
C125 H125 0.9500 . ?
O1S C1S 1.322(18) . ?
O1S H1S 0.8400 . ?
C1S H1S1 0.9800 . ?
C1S H1S2 0.9800 . ?
C1S H1S3 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O12 Dy1 O13 97.00(15) . . ?
O12 Dy1 O11 145.56(15) . . ?
O13 Dy1 O11 69.62(14) . . ?
O12 Dy1 O1 139.49(15) . . ?
O13 Dy1 O1 95.25(16) . . ?
O11 Dy1 O1 74.64(15) . . ?
O12 Dy1 N13 79.54(16) . . ?
O13 Dy1 N13 139.52(16) . . ?
O11 Dy1 N13 131.44(16) . . ?
O1 Dy1 N13 66.41(16) . . ?
O12 Dy1 N12 87.93(16) . . ?
O13 Dy1 N12 153.90(16) . . ?
O11 Dy1 N12 91.98(16) . . ?
O1 Dy1 N12 97.50(17) . . ?
N13 Dy1 N12 66.58(17) . . ?
O12 Dy1 N14 70.07(16) . . ?
O13 Dy1 N14 73.73(16) . . ?
O11 Dy1 N14 130.39(16) . . ?
O1 Dy1 N14 76.70(17) . . ?
N13 Dy1 N14 67.16(18) . . ?
N12 Dy1 N14 131.47(18) . . ?
O12 Dy1 N11 74.13(15) . . ?
O13 Dy1 N11 91.22(15) . . ?
O11 Dy1 N11 74.60(15) . . ?
O1 Dy1 N11 143.99(15) . . ?
N13 Dy1 N11 125.30(16) . . ?
N12 Dy1 N11 65.41(16) . . ?
N14 Dy1 N11 138.73(17) . . ?
O12 Dy1 Dy2 132.33(10) . . ?
O13 Dy1 Dy2 36.39(10) . . ?
O11 Dy1 Dy2 36.74(10) . . ?
O1 Dy1 Dy2 72.65(11) . . ?
N13 Dy1 Dy2 138.20(12) . . ?
N12 Dy1 Dy2 128.71(12) . . ?
N14 Dy1 Dy2 96.03(13) . . ?
N11 Dy1 Dy2 93.08(11) . . ?
O3 Dy2 O2 109.39(18) . . ?
O3 Dy2 O4 139.01(15) . 3_666 ?
O2 Dy2 O4 82.48(17) . 3_666 ?
O3 Dy2 O13 140.24(15) . . ?
O2 Dy2 O13 86.19(16) . . ?
O4 Dy2 O13 77.61(15) 3_666 . ?
O3 Dy2 O11 79.80(15) . . ?
O2 Dy2 O11 76.24(15) . . ?
O4 Dy2 O11 140.70(15) 3_666 . ?
O13 Dy2 O11 68.44(14) . . ?
O3 Dy2 O5 70.76(15) . . ?
O2 Dy2 O5 78.79(16) . . ?
O4 Dy2 O5 73.64(15) 3_666 . ?
O13 Dy2 O5 148.97(14) . . ?
O11 Dy2 O5 131.92(14) . . ?
O3 Dy2 O6 76.58(17) . 3_666 ?
O2 Dy2 O6 157.59(16) . 3_666 ?
O4 Dy2 O6 107.53(16) 3_666 3_666 ?
O13 Dy2 O6 76.84(15) . 3_666 ?
O11 Dy2 O6 83.89(15) . 3_666 ?
O5 Dy2 O6 122.94(15) . 3_666 ?
O3 Dy2 O5 77.87(15) . 3_666 ?
O2 Dy2 O5 149.22(15) . 3_666 ?
O4 Dy2 O5 74.17(15) 3_666 3_666 ?
O13 Dy2 O5 107.53(14) . 3_666 ?
O11 Dy2 O5 134.21(14) . 3_666 ?
O5 Dy2 O5 75.62(16) . 3_666 ?
O6 Dy2 O5 52.26(14) 3_666 3_666 ?
O3 Dy2 C5 74.25(19) . 3_666 ?
O2 Dy2 C5 174.74(19) . 3_666 ?
O4 Dy2 C5 92.30(19) 3_666 3_666 ?
O13 Dy2 C5 93.28(18) . 3_666 ?
O11 Dy2 C5 108.43(18) . 3_666 ?
O5 Dy2 C5 99.23(18) . 3_666 ?
O6 Dy2 C5 25.76(17) 3_666 3_666 ?
O5 Dy2 C5 26.58(17) 3_666 3_666 ?
O3 Dy2 Dy1 116.17(11) . . ?
O2 Dy2 Dy1 67.93(12) . . ?
O4 Dy2 Dy1 104.71(11) 3_666 . ?
O13 Dy2 Dy1 35.38(10) . . ?
O11 Dy2 Dy1 36.49(10) . . ?
O5 Dy2 Dy1 146.50(11) . . ?
O6 Dy2 Dy1 89.92(11) 3_666 . ?
O5 Dy2 Dy1 137.12(10) 3_666 . ?
C5 Dy2 Dy1 114.26(15) 3_666 . ?
O3 Dy2 Dy2 70.15(11) . 3_666 ?
O2 Dy2 Dy2 115.91(11) . 3_666 ?
O4 Dy2 Dy2 69.47(11) 3_666 3_666 ?
O13 Dy2 Dy2 136.40(10) . 3_666 ?
O11 Dy2 Dy2 149.82(10) . 3_666 ?
O5 Dy2 Dy2 38.90(10) . 3_666 ?
O6 Dy2 Dy2 86.49(11) 3_666 3_666 ?
O5 Dy2 Dy2 36.72(10) 3_666 3_666 ?
C5 Dy2 Dy2 61.27(15) 3_666 3_666 ?
Dy1 Dy2 Dy2 171.773(14) . 3_666 ?
C106 N11 C114 108.3(5) . . ?
C106 N11 C107 106.6(5) . . ?
C114 N11 C107 111.7(5) . . ?
C106 N11 Dy1 112.6(4) . . ?
C114 N11 Dy1 112.8(4) . . ?
C107 N11 Dy1 104.7(3) . . ?
C115 N12 C116 111.6(5) . . ?
C115 N12 Dy1 107.2(4) . . ?
C116 N12 Dy1 113.4(4) . . ?
C115 N12 H12 110.1 . . ?
C116 N12 H12 107.8 . . ?
Dy1 N12 H12 106.6 . . ?
C117 N13 C118 114.5(6) . . ?
C117 N13 Dy1 113.4(4) . . ?
C118 N13 Dy1 113.3(4) . . ?
C117 N13 H13 105.6 . . ?
C118 N13 H13 108.5 . . ?
Dy1 N13 H13 100.0 . . ?
C119 N14 C120 114.5(5) . . ?
C119 N14 Dy1 112.9(4) . . ?
C120 N14 Dy1 117.7(4) . . ?
C119 N14 H14 105.6 . . ?
C120 N14 H14 108.5 . . ?
Dy1 N14 H14 94.9 . . ?
C100 O11 Dy1 122.3(4) . . ?
C100 O11 Dy2 130.1(4) . . ?
Dy1 O11 Dy2 106.77(16) . . ?
C113 O12 Dy1 143.3(4) . . ?
C126 O13 Dy1 127.3(4) . . ?
C126 O13 Dy2 123.6(4) . . ?
Dy1 O13 Dy2 108.23(16) . . ?
C1 O1 Dy1 131.3(4) . . ?
C1 O2 Dy2 137.9(5) . . ?
C3 O3 Dy2 136.8(4) . . ?
C3 O4 Dy2 134.6(4) . 3_666 ?
C5 O5 Dy2 147.1(4) . . ?
C5 O5 Dy2 93.3(4) . 3_666 ?
Dy2 O5 Dy2 104.38(16) . 3_666 ?
C5 O6 Dy2 94.8(4) . 3_666 ?
O2 C1 O1 123.8(7) . . ?
O2 C1 C2 118.9(7) . . ?
O1 C1 C2 117.3(7) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 O4 124.8(6) . . ?
O3 C3 C4 117.8(6) . . ?
O4 C3 C4 117.4(6) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O6 C5 O5 119.3(6) . . ?
O6 C5 C6 121.0(7) . . ?
O5 C5 C6 119.7(7) . . ?
O6 C5 Dy2 59.4(4) . 3_666 ?
O5 C5 Dy2 60.1(3) . 3_666 ?
C6 C5 Dy2 175.3(6) . 3_666 ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O11 C100 C101 121.3(6) . . ?
O11 C100 C105 118.8(6) . . ?
C101 C100 C105 119.8(6) . . ?
C102 C101 C100 119.3(7) . . ?
C102 C101 H101 120.4 . . ?
C100 C101 H101 120.4 . . ?
C103 C102 C101 122.2(6) . . ?
C103 C102 H102 118.9 . . ?
C101 C102 H102 118.9 . . ?
C104 C103 C102 118.7(6) . . ?
C104 C103 H103 120.6 . . ?
C102 C103 H103 120.6 . . ?
C103 C104 C105 121.3(7) . . ?
C103 C104 H104 119.3 . . ?
C105 C104 H104 119.3 . . ?
C104 C105 C100 118.7(6) . . ?
C104 C105 C106 123.0(6) . . ?
C100 C105 C106 118.3(6) . . ?
N11 C106 C105 114.1(5) . . ?
N11 C106 H10A 108.7 . . ?
C105 C106 H10A 108.7 . . ?
N11 C106 H10B 108.7 . . ?
C105 C106 H10B 108.7 . . ?
H10A C106 H10B 107.6 . . ?
C108 C107 N11 115.4(5) . . ?
C108 C107 H10C 108.4 . . ?
N11 C107 H10C 108.4 . . ?
C108 C107 H10D 108.4 . . ?
N11 C107 H10D 108.4 . . ?
H10C C107 H10D 107.5 . . ?
C109 C108 C113 119.5(6) . . ?
C109 C108 C107 120.4(6) . . ?
C113 C108 C107 120.1(5) . . ?
C108 C109 C110 121.4(6) . . ?
C108 C109 H109 119.3 . . ?
C110 C109 H109 119.3 . . ?
C111 C110 C109 119.1(6) . . ?
C111 C110 H110 120.4 . . ?
C109 C110 H110 120.4 . . ?
C110 C111 C112 120.8(6) . . ?
C110 C111 H111 119.6 . . ?
C112 C111 H111 119.6 . . ?
C111 C112 C113 120.7(6) . . ?
C111 C112 H112 119.6 . . ?
C113 C112 H112 119.6 . . ?
O12 C113 C108 121.2(6) . . ?
O12 C113 C112 120.5(6) . . ?
C108 C113 C112 118.4(6) . . ?
N11 C114 C115 113.1(5) . . ?
N11 C114 H11A 109.0 . . ?
C115 C114 H11A 109.0 . . ?
N11 C114 H11B 109.0 . . ?
C115 C114 H11B 109.0 . . ?
H11A C114 H11B 107.8 . . ?
N12 C115 C114 109.7(5) . . ?
N12 C115 H11C 109.7 . . ?
C114 C115 H11C 109.7 . . ?
N12 C115 H11D 109.7 . . ?
C114 C115 H11D 109.7 . . ?
H11C C115 H11D 108.2 . . ?
C117 C116 N12 110.0(6) . . ?
C117 C116 H11E 109.7 . . ?
N12 C116 H11E 109.7 . . ?
C117 C116 H11F 109.7 . . ?
N12 C116 H11F 109.7 . . ?
H11E C116 H11F 108.2 . . ?
N13 C117 C116 109.7(6) . . ?
N13 C117 H11G 109.7 . . ?
C116 C117 H11G 109.7 . . ?
N13 C117 H11H 109.7 . . ?
C116 C117 H11H 109.7 . . ?
H11G C117 H11H 108.2 . . ?
N13 C118 C119 111.7(6) . . ?
N13 C118 H11I 109.3 . . ?
C119 C118 H11I 109.3 . . ?
N13 C118 H11J 109.3 . . ?
C119 C118 H11J 109.3 . . ?
H11I C118 H11J 107.9 . . ?
N14 C119 C118 109.9(6) . . ?
N14 C119 H11K 109.7 . . ?
C118 C119 H11K 109.7 . . ?
N14 C119 H11L 109.7 . . ?
C118 C119 H11L 109.7 . . ?
H11K C119 H11L 108.2 . . ?
N14 C120 C121 111.1(5) . . ?
N14 C120 H12A 109.4 . . ?
C121 C120 H12A 109.4 . . ?
N14 C120 H12B 109.4 . . ?
C121 C120 H12B 109.4 . . ?
H12A C120 H12B 108.0 . . ?
C122 C121 C126 119.0(7) . . ?
C122 C121 C120 121.5(7) . . ?
C126 C121 C120 119.5(6) . . ?
C123 C122 C121 121.6(8) . . ?
C123 C122 H122 119.2 . . ?
C121 C122 H122 119.2 . . ?
C124 C123 C122 119.0(7) . . ?
C124 C123 H123 120.5 . . ?
C122 C123 H123 120.5 . . ?
C123 C124 C125 120.7(8) . . ?
C123 C124 H124 119.6 . . ?
C125 C124 H124 119.6 . . ?
C126 C125 C124 120.3(7) . . ?
C126 C125 H125 119.9 . . ?
C124 C125 H125 119.9 . . ?
O13 C126 C125 120.6(6) . . ?
O13 C126 C121 120.0(6) . . ?
C125 C126 C121 119.3(6) . . ?
C1S O1S H1S 109.5 . . ?
O1S C1S H1S1 109.5 . . ?
O1S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
O1S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy2 O2 C1 O1 -36.7(12) . . . . ?
Dy2 O2 C1 C2 144.0(7) . . . . ?
Dy1 O1 C1 O2 13.1(11) . . . . ?
Dy1 O1 C1 C2 -167.5(6) . . . . ?
Dy2 O3 C3 O4 -12.5(11) . . . . ?
Dy2 O3 C3 C4 166.9(5) . . . . ?
Dy2 O4 C3 O3 28.7(10) 3_666 . . . ?
Dy2 O4 C3 C4 -150.7(5) 3_666 . . . ?
Dy2 O6 C5 O5 6.0(7) 3_666 . . . ?
Dy2 O6 C5 C6 -174.5(7) 3_666 . . . ?
Dy2 O5 C5 O6 -129.1(7) . . . . ?
Dy2 O5 C5 O6 -6.0(7) 3_666 . . . ?
Dy2 O5 C5 C6 51.4(12) . . . . ?
Dy2 O5 C5 C6 174.6(7) 3_666 . . . ?
Dy2 O5 C5 Dy2 -123.1(7) . . . 3_666 ?
Dy1 O11 C100 C101 -114.9(6) . . . . ?
Dy2 O11 C100 C101 77.1(7) . . . . ?
Dy1 O11 C100 C105 67.6(7) . . . . ?
Dy2 O11 C100 C105 -100.4(6) . . . . ?
O11 C100 C101 C102 -177.0(6) . . . . ?
C105 C100 C101 C102 0.5(10) . . . . ?
C100 C101 C102 C103 -1.0(11) . . . . ?
C101 C102 C103 C104 0.9(11) . . . . ?
C102 C103 C104 C105 -0.1(11) . . . . ?
C103 C104 C105 C100 -0.4(10) . . . . ?
C103 C104 C105 C106 177.2(6) . . . . ?
O11 C100 C105 C104 177.8(6) . . . . ?
C101 C100 C105 C104 0.2(10) . . . . ?
O11 C100 C105 C106 0.1(9) . . . . ?
C101 C100 C105 C106 -177.5(6) . . . . ?
C114 N11 C106 C105 -66.8(7) . . . . ?
C107 N11 C106 C105 172.9(5) . . . . ?
Dy1 N11 C106 C105 58.7(6) . . . . ?
C104 C105 C106 N11 114.2(7) . . . . ?
C100 C105 C106 N11 -68.2(8) . . . . ?
C106 N11 C107 C108 164.8(5) . . . . ?
C114 N11 C107 C108 46.6(7) . . . . ?
Dy1 N11 C107 C108 -75.7(5) . . . . ?
N11 C107 C108 C109 -124.2(6) . . . . ?
N11 C107 C108 C113 56.1(8) . . . . ?
C113 C108 C109 C110 0.7(9) . . . . ?
C107 C108 C109 C110 -179.0(6) . . . . ?
C108 C109 C110 C111 -1.7(10) . . . . ?
C109 C110 C111 C112 0.7(10) . . . . ?
C110 C111 C112 C113 1.3(10) . . . . ?
Dy1 O12 C113 C108 -22.0(10) . . . . ?
Dy1 O12 C113 C112 157.4(5) . . . . ?
C109 C108 C113 O12 -179.3(5) . . . . ?
C107 C108 C113 O12 0.4(9) . . . . ?
C109 C108 C113 C112 1.3(9) . . . . ?
C107 C108 C113 C112 -179.0(5) . . . . ?
C111 C112 C113 O12 178.3(6) . . . . ?
C111 C112 C113 C108 -2.2(9) . . . . ?
C106 N11 C114 C115 135.8(5) . . . . ?
C107 N11 C114 C115 -107.1(6) . . . . ?
Dy1 N11 C114 C115 10.5(6) . . . . ?
C116 N12 C115 C114 -171.4(5) . . . . ?
Dy1 N12 C115 C114 63.9(5) . . . . ?
N11 C114 C115 N12 -49.6(7) . . . . ?
C115 N12 C116 C117 -81.0(7) . . . . ?
Dy1 N12 C116 C117 40.2(7) . . . . ?
C118 N13 C117 C116 -179.4(6) . . . . ?
Dy1 N13 C117 C116 48.4(7) . . . . ?
N12 C116 C117 N13 -58.7(8) . . . . ?
C117 N13 C118 C119 -173.7(6) . . . . ?
Dy1 N13 C118 C119 -41.4(7) . . . . ?
C120 N14 C119 C118 177.3(6) . . . . ?
Dy1 N14 C119 C118 -44.3(7) . . . . ?
N13 C118 C119 N14 57.6(8) . . . . ?
C119 N14 C120 C121 -161.7(6) . . . . ?
Dy1 N14 C120 C121 62.1(7) . . . . ?
N14 C120 C121 C122 118.7(7) . . . . ?
N14 C120 C121 C126 -62.4(8) . . . . ?
C126 C121 C122 C123 1.2(10) . . . . ?
C120 C121 C122 C123 -179.9(7) . . . . ?
C121 C122 C123 C124 -1.3(11) . . . . ?
C122 C123 C124 C125 1.0(12) . . . . ?
C123 C124 C125 C126 -0.7(11) . . . . ?
Dy1 O13 C126 C125 -118.7(6) . . . . ?
Dy2 O13 C126 C125 73.3(7) . . . . ?
Dy1 O13 C126 C121 61.0(7) . . . . ?
Dy2 O13 C126 C121 -106.9(6) . . . . ?
C124 C125 C126 O13 -179.6(6) . . . . ?
C124 C125 C126 C121 0.6(10) . . . . ?
C122 C121 C126 O13 179.4(6) . . . . ?
C120 C121 C126 O13 0.5(9) . . . . ?
C122 C121 C126 C125 -0.9(10) . . . . ?
C120 C121 C126 C125 -179.8(6) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N13 H13 O1 0.77 2.29 2.704(7) 115.4 . yes
N14 H14 O12 0.77 2.31 2.770(7) 119.5 . yes
C2 H2C O1S 0.98 2.48 3.408(17) 157.0 4_575 yes
C6 H6B O2 0.98 2.63 3.211(9) 118.0 . yes
C6 H6B O1S 0.98 2.62 3.517(17) 151.5 3_666 yes
C106 H10A O6 0.99 2.24 3.210(8) 167.0 3_666 yes
C115 H11C O12 0.99 2.58 3.200(8) 121.0 . yes
C125 H125 O6 0.95 2.57 3.291(9) 133.2 3_666 yes
N13 H13 O1 0.77 2.29 2.704(7) 115.4 . yes
N14 H14 O12 0.77 2.31 2.770(7) 119.5 . yes
C2 H2C O1S 0.98 2.48 3.408(17) 157.0 4_575 yes
C6 H6B O2 0.98 2.63 3.211(9) 118.0 . yes
C6 H6B O1S 0.98 2.62 3.517(17) 151.5 3_666 yes
C106 H10A O6 0.99 2.24 3.210(8) 167.0 3_666 yes
C115 H11C O12 0.99 2.58 3.200(8) 121.0 . yes
C125 H125 O6 0.95 2.57 3.291(9) 133.2 3_666 yes

_refine_diff_density_max         1.970
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.165



_exptl_crystal_preparation       'Magnetic properties,Luminescent'
