# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2015150'
loop_
_audit_author_name
_audit_author_address
'Zhilei Wu'
;Hebei University
China
;
_audit_update_record             
;
2020-09-21 deposited with the CCDC.	2020-09-24 downloaded from the CCDC.
;
_audit_creation_date             2020-09-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C62 H78 Gd6 N8 O32, 3[C2H3N], 2[CH4O]'
_chemical_formula_sum            'C70 H95 Gd6 N11 O34'
_chemical_formula_weight         2578.08
_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'
Gd Gd -0.1653 3.9035 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.4727(6)
_cell_length_b                   19.6943(9)
_cell_length_c                   16.4655(7)
_cell_angle_alpha                90
_cell_angle_beta                 90.532(2)
_cell_angle_gamma                90
_cell_volume                     4693.0(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9857
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.377
_cell_measurement_theta_min      2.502
_shelx_estimated_absorpt_T_max   0.652
_shelx_estimated_absorpt_T_min   0.404
_exptl_absorpt_coefficient_mu    4.251
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1194 before and 0.0605 after correction.
The Ratio of minimum to maximum transmission is 0.6684.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.824
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2292
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0342
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            58285
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.414
_diffrn_reflns_theta_min         2.410
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7596
_reflns_number_total             9621
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XL (Sheldrick, 2008)'
_refine_diff_density_max         1.295
_refine_diff_density_min         -1.022
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         9621
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0367
_refine_ls_restrained_S_all      1.053
_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)+(0.0489P)²+17.4626P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0998
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O13-H13
 0.87 with sigma of 0.01
 O11-H11
 0.85 with sigma of 0.02
 C31-H13
 1.922476 with sigma of 0.02
 Gd1-H13
 2.967842 with sigma of 0.02
3. Rigid bond restraints
 O16, N4, O14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 N4, O14
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
O16 \\sim N4 \\sim O14: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C30) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O16) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
5.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C10(H10), C3(H3), C12(H12A), C5(H5), C28(H28), C23(H23), C11(H11A),
 C18(H18), C4(H4)
5.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C21(H21A,H21B,H21C), C26(H26A,H26B,H26C), C16(H16A,H16B,
 H16C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C25(H25A,H25B,H25C), C20(H20A,
 H20B,H20C)
;
_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
Gd1 Gd 0.45392(2) 0.09244(2) 1.02036(2) 0.02641(8) Uani 1 1 d D . . . .
Gd2 Gd 0.60247(2) 0.22312(2) 0.91647(2) 0.02953(8) Uani 1 1 d . . . . .
Gd3 Gd 0.70772(2) 0.06527(2) 0.96519(2) 0.02683(8) Uani 1 1 d . . . . .
C15 C 0.7500(5) 0.3586(4) 0.8635(5) 0.0499(18) Uani 1 1 d . . . . .
H15A H 0.695446 0.378575 0.888883 0.075 Uiso 1 1 calc GR . . . .
H15B H 0.755997 0.376190 0.808100 0.075 Uiso 1 1 calc GR . . . .
H15C H 0.805292 0.370404 0.895228 0.075 Uiso 1 1 calc GR . . . .
C13 C 0.8102(5) 0.2477(4) 0.8268(4) 0.0397(14) Uani 1 1 d . . . . .
O14 O 0.4949(3) 0.1069(2) 1.1677(3) 0.0359(9) Uani 1 1 d . U . . .
N1 N 0.6649(3) -0.1723(3) 0.9194(3) 0.0313(11) Uani 1 1 d . . . . .
O11 O 0.5827(3) 0.0172(2) 1.0399(2) 0.0295(9) Uani 1 1 d D . . . .
O2 O 0.6733(3) -0.0408(2) 0.9132(2) 0.0327(9) Uani 1 1 d . . . . .
C8 C 0.8583(4) 0.0603(4) 0.8018(4) 0.0394(15) Uani 1 1 d . . . . .
H8 H 0.896824 0.034649 0.766952 0.047 Uiso 1 1 calc R . . . .
C6 C 0.7379(4) -0.1477(3) 0.8781(4) 0.0337(13) Uani 1 1 d . . . . .
O6 O 0.5342(3) 0.3199(2) 0.8663(3) 0.0463(11) Uani 1 1 d . . . . .
O1 O 0.5229(3) -0.2069(2) 1.0058(3) 0.0380(10) Uani 1 1 d . . . . .
O4 O 0.7401(3) 0.2856(2) 0.8608(3) 0.0421(11) Uani 1 1 d . . . . .
C7 C 0.7404(4) -0.0727(3) 0.8758(4) 0.0313(13) Uani 1 1 d . . . . .
N2 N 0.8094(4) -0.0438(3) 0.8393(3) 0.0367(12) Uani 1 1 d . . . . .
O12 O 0.5627(3) 0.1048(2) 0.9184(3) 0.0323(9) Uani 1 1 d . . . . .
O5 O 0.5399(3) 0.1953(2) 0.7905(3) 0.0425(11) Uani 1 1 d . . . . .
C10 C 0.9388(5) 0.1632(4) 0.7551(4) 0.0441(16) Uani 1 1 d . . . . .
H10 H 0.981138 0.134496 0.727768 0.053 Uiso 1 1 calc R . . . .
O10 O 0.7847(3) -0.0057(2) 1.0595(3) 0.0403(10) Uani 1 1 d . . . . .
C22 C 0.6672(5) 0.3087(4) 1.0844(4) 0.0443(16) Uani 1 1 d . . . . .
O13 O 0.3414(3) 0.1061(2) 0.9128(3) 0.0388(10) Uani 1 1 d D . . . .
H13 H 0.297(3) 0.0756(15) 0.908(3) 0.058 Uiso 1 1 d DR . . . .
C9 C 0.8641(4) 0.1338(3) 0.7988(4) 0.0382(15) Uani 1 1 d . . . . .
O7 O 0.6418(3) 0.3055(2) 1.0113(3) 0.0441(11) Uani 1 1 d . . . . .
N3 N 0.8034(3) 0.0282(3) 0.8495(3) 0.0351(12) Uani 1 1 d . . . . .
C3 C 0.7191(4) -0.2851(3) 0.8958(5) 0.0413(16) Uani 1 1 d . . . . .
H3 H 0.711950 -0.332659 0.903268 0.050 Uiso 1 1 calc R . . . .
C14 C 0.7988(4) 0.1770(3) 0.8346(4) 0.0360(14) Uani 1 1 d . . . . .
C12 C 0.8853(5) 0.2760(4) 0.7876(4) 0.0440(16) Uani 1 1 d . . . . .
H12A H 0.892764 0.323874 0.784882 0.053 Uiso 1 1 calc R . . . .
O9 O 0.8499(3) 0.1137(3) 0.9935(3) 0.0464(12) Uani 1 1 d . . . . .
C5 C 0.8037(4) -0.1897(3) 0.8443(4) 0.0366(14) Uani 1 1 d . . . . .
H5 H 0.854764 -0.171338 0.815869 0.044 Uiso 1 1 calc R . . . .
O3 O 0.7245(3) 0.1543(2) 0.8730(3) 0.0336(9) Uani 1 1 d . . . . .
C1 C 0.5727(5) -0.2624(3) 0.9748(5) 0.0426(16) Uani 1 1 d . . . . .
H1A H 0.531854 -0.289560 0.938743 0.051 Uiso 1 1 calc R . . . .
H1B H 0.593206 -0.291871 1.020175 0.051 Uiso 1 1 calc R . . . .
C28 C 0.9323(5) 0.0413(4) 1.0808(5) 0.057(2) Uani 1 1 d . . . . .
H28 H 0.989594 0.034635 1.108278 0.068 Uiso 1 1 calc R . . . .
C23 C 0.6882(5) 0.2531(4) 1.1339(4) 0.0452(16) Uani 1 1 d . . . . .
H23 H 0.702924 0.262171 1.189170 0.054 Uiso 1 1 calc R . . . .
C27 C 0.9245(5) 0.0973(4) 1.0300(5) 0.0498(18) Uani 1 1 d . . . . .
C11 C 0.9503(5) 0.2322(4) 0.7520(5) 0.0469(18) Uani 1 1 d . . . . .
H11A H 1.002584 0.250635 0.725461 0.056 Uiso 1 1 calc R . . . .
N4 N 0.5074(5) 0.0658(4) 1.2173(4) 0.0591(16) Uani 1 1 d . U . . .
C24 C 0.6894(4) 0.1862(4) 1.1094(4) 0.0403(15) Uani 1 1 d . . . . .
O16 O 0.5000(7) 0.0842(4) 1.2901(4) 0.109(3) Uani 1 1 d . U . . .
C19 C 0.4813(5) 0.3355(4) 0.8069(5) 0.0518(19) Uani 1 1 d . . . . .
O15 O 0.5347(5) 0.0061(3) 1.2030(4) 0.0771(19) Uani 1 1 d . . . . .
C29 C 0.8630(5) -0.0055(4) 1.0945(5) 0.0515(19) Uani 1 1 d . . . . .
C2 C 0.6552(5) -0.2391(4) 0.9280(4) 0.0395(15) Uani 1 1 d . . . . .
C17 C 0.4821(5) 0.2237(4) 0.7423(5) 0.0473(17) Uani 1 1 d . . . . .
O8 O 0.6663(3) 0.1659(2) 1.0375(3) 0.0380(10) Uani 1 1 d . . . . .
C18 C 0.4538(5) 0.2905(4) 0.7461(5) 0.0542(19) Uani 1 1 d . . . . .
H18 H 0.413219 0.306714 0.704801 0.065 Uiso 1 1 calc R . . . .
C4 C 0.7931(5) -0.2591(4) 0.8528(5) 0.0460(17) Uani 1 1 d . . . . .
H4 H 0.836663 -0.289116 0.829190 0.055 Uiso 1 1 calc R . . . .
C21 C 0.6744(7) 0.3800(4) 1.1194(5) 0.070(3) Uani 1 1 d . . . . .
H21A H 0.707622 0.409268 1.081374 0.105 Uiso 1 1 calc GR . . . .
H21B H 0.707908 0.378470 1.171318 0.105 Uiso 1 1 calc GR . . . .
H21C H 0.612226 0.398269 1.127956 0.105 Uiso 1 1 calc GR . . . .
C26 C 1.0050(6) 0.1436(5) 1.0181(6) 0.075(3) Uani 1 1 d . . . . .
H26A H 0.999600 0.165711 0.964905 0.112 Uiso 1 1 calc GR . . . .
H26B H 1.062423 0.117309 1.020609 0.112 Uiso 1 1 calc GR . . . .
H26C H 1.005734 0.178221 1.060838 0.112 Uiso 1 1 calc GR . . . .
C16 C 0.4450(7) 0.1786(6) 0.6742(6) 0.077(3) Uani 1 1 d . . . . .
H16A H 0.496858 0.158675 0.644639 0.116 Uiso 1 1 calc GR . . . .
H16B H 0.407189 0.205857 0.636819 0.116 Uiso 1 1 calc GR . . . .
H16C H 0.407222 0.142270 0.697335 0.116 Uiso 1 1 calc GR . . . .
C30 C 0.8755(7) -0.0583(5) 1.1597(7) 0.092(4) Uani 1 1 d . U . . .
H30A H 0.832930 -0.049038 1.204318 0.138 Uiso 1 1 calc GR . . . .
H30B H 0.939236 -0.057015 1.180181 0.138 Uiso 1 1 calc GR . . . .
H30C H 0.862342 -0.103356 1.137051 0.138 Uiso 1 1 calc GR . . . .
C31 C 0.3061(8) 0.1675(6) 0.8758(7) 0.092(3) Uani 1 1 d D . . . .
H31A H 0.288398 0.158298 0.819309 0.138 Uiso 1 1 calc GR . . . .
H31B H 0.354071 0.202687 0.877253 0.138 Uiso 1 1 calc GR . . . .
H31C H 0.252021 0.183287 0.905793 0.138 Uiso 1 1 calc GR . . . .
C25 C 0.7214(5) 0.1334(4) 1.1689(4) 0.0497(18) Uani 1 1 d . . . . .
H25A H 0.785277 0.120671 1.156993 0.074 Uiso 1 1 calc GR . . . .
H25B H 0.681596 0.093292 1.164488 0.074 Uiso 1 1 calc GR . . . .
H25C H 0.718121 0.151814 1.224084 0.074 Uiso 1 1 calc GR . . . .
C20 C 0.4517(8) 0.4091(5) 0.8034(7) 0.084(3) Uani 1 1 d . . . . .
H20A H 0.412722 0.419374 0.850163 0.126 Uiso 1 1 calc GR . . . .
H20B H 0.416721 0.417208 0.753100 0.126 Uiso 1 1 calc GR . . . .
H20C H 0.506498 0.438299 0.804662 0.126 Uiso 1 1 calc GR . . . .
H12 H 0.551(7) 0.094(5) 0.868(6) 0.09(3) Uiso 1 1 d . . . . .
H11 H 0.583(4) 0.010(3) 1.0912(13) 0.014(14) Uiso 1 1 d 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
Gd1 Gd1 3.9373(6) 3_657 ?
Gd1 Gd2 3.7737(4) . ?
Gd1 Gd3 3.8969(4) 3_657 ?
Gd1 Gd3 3.8295(4) . ?
Gd1 O14 2.509(5) . ?
Gd1 N1 2.539(5) 3_657 ?
Gd1 O11 2.433(4) 3_657 ?
Gd1 O11 2.400(4) . ?
Gd1 O2 2.378(4) 3_657 ?
Gd1 O1 2.321(4) 3_657 ?
Gd1 O12 2.325(4) . ?
Gd1 O13 2.409(4) . ?
Gd2 Gd3 3.5505(4) . ?
Gd2 O6 2.297(5) . ?
Gd2 O1 2.252(4) 3_657 ?
Gd2 O4 2.521(4) . ?
Gd2 O12 2.400(4) . ?
Gd2 O5 2.322(5) . ?
Gd2 O7 2.320(5) . ?
Gd2 O3 2.344(4) . ?
Gd2 O8 2.463(4) . ?
Gd3 O11 2.393(4) . ?
Gd3 O2 2.310(4) . ?
Gd3 O12 2.362(4) . ?
Gd3 O10 2.361(4) . ?
Gd3 N3 2.476(5) . ?
Gd3 O9 2.312(4) . ?
Gd3 O3 2.334(4) . ?
Gd3 O8 2.391(5) . ?
C15 O4 1.445(8) . ?
C13 O4 1.381(8) . ?
C13 C14 1.408(10) . ?
C13 C12 1.385(9) . ?
O14 N4 1.162(8) . ?
N1 C6 1.352(8) . ?
N1 C2 1.330(8) . ?
O2 C7 1.315(7) . ?
C8 C9 1.451(10) . ?
C8 N3 1.287(8) . ?
C6 C7 1.478(9) . ?
C6 C5 1.381(8) . ?
O6 C19 1.274(9) . ?
O1 C1 1.407(7) . ?
C7 N2 1.302(8) . ?
N2 N3 1.431(7) . ?
O5 C17 1.276(8) . ?
C10 C9 1.426(9) . ?
C10 C11 1.370(10) . ?
O10 C29 1.267(8) . ?
C22 O7 1.256(8) . ?
C22 C23 1.397(11) . ?
C22 C21 1.522(10) . ?
O13 C31 1.446(11) . ?
C9 C14 1.405(9) . ?
C3 C2 1.403(9) . ?
C3 C4 1.387(10) . ?
C14 O3 1.330(7) . ?
C12 C11 1.409(10) . ?
O9 C27 1.273(9) . ?
C5 C4 1.384(10) . ?
C1 C2 1.499(9) . ?
C28 C27 1.387(11) . ?
C28 C29 1.381(11) . ?
C23 C24 1.379(10) . ?
C27 C26 1.495(11) . ?
N4 O16 1.258(9) . ?
N4 O15 1.264(9) . ?
C24 O8 1.290(8) . ?
C24 C25 1.498(10) . ?
C19 C18 1.393(11) . ?
C19 C20 1.513(11) . ?
C29 C30 1.505(11) . ?
C17 C18 1.378(11) . ?
C17 C16 1.525(11) . ?

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
Gd2 Gd1 Gd1 110.988(11) . 3_657 ?
Gd2 Gd1 Gd3 156.364(10) . 3_657 ?
Gd2 Gd1 Gd3 55.670(8) . . ?
Gd3 Gd1 Gd1 58.525(9) 3_657 3_657 ?
Gd3 Gd1 Gd1 60.210(8) . 3_657 ?
Gd3 Gd1 Gd3 118.735(9) . 3_657 ?
O14 Gd1 Gd1 101.10(10) . 3_657 ?
O14 Gd1 Gd2 103.31(10) . . ?
O14 Gd1 Gd3 91.53(9) . . ?
O14 Gd1 Gd3 99.68(10) . 3_657 ?
O14 Gd1 N1 72.94(15) . 3_657 ?
N1 Gd1 Gd1 150.60(12) 3_657 3_657 ?
N1 Gd1 Gd2 98.35(12) 3_657 . ?
N1 Gd1 Gd3 93.49(12) 3_657 3_657 ?
N1 Gd1 Gd3 146.49(12) 3_657 . ?
O11 Gd1 Gd1 35.17(9) 3_657 3_657 ?
O11 Gd1 Gd1 35.72(10) . 3_657 ?
O11 Gd1 Gd2 92.12(10) . . ?
O11 Gd1 Gd2 122.90(9) 3_657 . ?
O11 Gd1 Gd3 35.81(9) 3_657 3_657 ?
O11 Gd1 Gd3 36.91(9) . . ?
O11 Gd1 Gd3 89.13(9) 3_657 . ?
O11 Gd1 Gd3 88.02(10) . 3_657 ?
O11 Gd1 O14 76.35(13) . . ?
O11 Gd1 O14 122.97(14) 3_657 . ?
O11 Gd1 N1 149.07(15) . 3_657 ?
O11 Gd1 N1 124.31(15) 3_657 3_657 ?
O11 Gd1 O11 70.89(16) . 3_657 ?
O11 Gd1 O13 133.34(15) . . ?
O2 Gd1 Gd1 87.00(10) 3_657 3_657 ?
O2 Gd1 Gd2 161.22(10) 3_657 . ?
O2 Gd1 Gd3 33.22(10) 3_657 3_657 ?
O2 Gd1 Gd3 142.89(10) 3_657 . ?
O2 Gd1 O14 77.35(14) 3_657 . ?
O2 Gd1 N1 63.61(15) 3_657 3_657 ?
O2 Gd1 O11 69.00(14) 3_657 3_657 ?
O2 Gd1 O11 106.11(14) 3_657 . ?
O2 Gd1 O13 82.25(15) 3_657 . ?
O1 Gd1 Gd1 144.80(10) 3_657 3_657 ?
O1 Gd1 Gd2 33.81(10) 3_657 . ?
O1 Gd1 Gd3 87.19(10) 3_657 . ?
O1 Gd1 Gd3 150.90(11) 3_657 3_657 ?
O1 Gd1 O14 92.04(15) 3_657 . ?
O1 Gd1 N1 64.54(15) 3_657 3_657 ?
O1 Gd1 O11 144.89(15) 3_657 3_657 ?
O1 Gd1 O11 120.75(14) 3_657 . ?
O1 Gd1 O2 127.94(14) 3_657 3_657 ?
O1 Gd1 O12 70.35(15) 3_657 . ?
O1 Gd1 O13 81.54(15) 3_657 . ?
O12 Gd1 Gd1 75.02(11) . 3_657 ?
O12 Gd1 Gd2 37.68(11) . . ?
O12 Gd1 Gd3 122.60(11) . 3_657 ?
O12 Gd1 Gd3 35.52(11) . . ?
O12 Gd1 O14 122.07(14) . . ?
O12 Gd1 N1 133.04(15) . 3_657 ?
O12 Gd1 O11 68.40(14) . . ?
O12 Gd1 O11 86.84(14) . 3_657 ?
O12 Gd1 O2 155.38(15) . 3_657 ?
O12 Gd1 O13 85.12(15) . . ?
O13 Gd1 Gd1 101.89(11) . 3_657 ?
O13 Gd1 Gd2 88.53(11) . . ?
O13 Gd1 Gd3 74.47(11) . 3_657 ?
O13 Gd1 Gd3 118.97(11) . . ?
O13 Gd1 O14 148.23(14) . . ?
O13 Gd1 N1 76.25(16) . 3_657 ?
O13 Gd1 O11 69.90(14) . 3_657 ?
Gd3 Gd2 Gd1 62.963(8) . . ?
O6 Gd2 Gd1 118.93(12) . . ?
O6 Gd2 Gd3 171.91(12) . . ?
O6 Gd2 O4 78.66(16) . . ?
O6 Gd2 O12 135.04(16) . . ?
O6 Gd2 O5 73.23(17) . . ?
O6 Gd2 O7 76.32(17) . . ?
O6 Gd2 O3 133.87(16) . . ?
O6 Gd2 O8 145.88(16) . . ?
O1 Gd2 Gd1 34.99(11) 3_657 . ?
O1 Gd2 Gd3 95.38(11) 3_657 . ?
O1 Gd2 O6 88.59(17) 3_657 . ?
O1 Gd2 O4 156.78(16) 3_657 . ?
O1 Gd2 O12 70.15(15) 3_657 . ?
O1 Gd2 O5 99.49(17) 3_657 . ?
O1 Gd2 O7 84.86(17) 3_657 . ?
O1 Gd2 O3 134.84(15) 3_657 . ?
O1 Gd2 O8 76.90(15) 3_657 . ?
O4 Gd2 Gd1 162.36(11) . . ?
O4 Gd2 Gd3 99.81(11) . . ?
O12 Gd2 Gd1 36.30(10) . . ?
O12 Gd2 Gd3 41.38(10) . . ?
O12 Gd2 O4 131.98(15) . . ?
O12 Gd2 O8 68.48(15) . . ?
O5 Gd2 Gd1 91.43(12) . . ?
O5 Gd2 Gd3 99.12(12) . . ?
O5 Gd2 O4 95.33(16) . . ?
O5 Gd2 O12 72.02(16) . . ?
O5 Gd2 O3 83.08(15) . . ?
O5 Gd2 O8 139.09(16) . . ?
O7 Gd2 Gd1 108.02(12) . . ?
O7 Gd2 Gd3 111.01(12) . . ?
O7 Gd2 O4 73.37(16) . . ?
O7 Gd2 O12 136.69(16) . . ?
O7 Gd2 O5 149.08(17) . . ?
O7 Gd2 O3 115.42(16) . . ?
O7 Gd2 O8 71.80(16) . . ?
O3 Gd2 Gd1 100.27(10) . . ?
O3 Gd2 Gd3 40.52(10) . . ?
O3 Gd2 O4 64.56(15) . . ?
O3 Gd2 O12 67.95(14) . . ?
O3 Gd2 O8 72.80(15) . . ?
O8 Gd2 Gd1 62.09(10) . . ?
O8 Gd2 Gd3 42.20(10) . . ?
O8 Gd2 O4 103.06(15) . . ?
Gd1 Gd3 Gd1 61.265(9) . 3_657 ?
Gd2 Gd3 Gd1 61.368(8) . . ?
Gd2 Gd3 Gd1 117.075(10) . 3_657 ?
O11 Gd3 Gd1 36.49(10) . 3_657 ?
O11 Gd3 Gd1 37.04(10) . . ?
O11 Gd3 Gd2 97.92(10) . . ?
O11 Gd3 N3 135.27(16) . . ?
O2 Gd3 Gd1 34.33(10) . 3_657 ?
O2 Gd3 Gd1 90.57(10) . . ?
O2 Gd3 Gd2 128.13(10) . . ?
O2 Gd3 O11 70.80(14) . . ?
O2 Gd3 O12 89.40(15) . . ?
O2 Gd3 O10 78.88(15) . . ?
O2 Gd3 N3 64.48(15) . . ?
O2 Gd3 O9 129.54(17) . . ?
O2 Gd3 O3 117.51(15) . . ?
O2 Gd3 O8 151.60(14) . . ?
O12 Gd3 Gd1 75.56(11) . 3_657 ?
O12 Gd3 Gd1 34.88(11) . . ?
O12 Gd3 Gd2 42.20(11) . . ?
O12 Gd3 O11 67.92(14) . . ?
O12 Gd3 N3 110.38(16) . . ?
O12 Gd3 O8 70.30(15) . . ?
O10 Gd3 Gd1 76.57(11) . 3_657 ?
O10 Gd3 Gd1 112.00(11) . . ?
O10 Gd3 Gd2 149.98(12) . . ?
O10 Gd3 O11 77.41(14) . . ?
O10 Gd3 O12 145.33(15) . . ?
O10 Gd3 N3 93.88(17) . . ?
O10 Gd3 O8 106.38(16) . . ?
N3 Gd3 Gd1 98.79(12) . 3_657 ?
N3 Gd3 Gd1 140.22(12) . . ?
N3 Gd3 Gd2 109.02(12) . . ?
O9 Gd3 Gd1 138.44(13) . . ?
O9 Gd3 Gd1 148.24(13) . 3_657 ?
O9 Gd3 Gd2 93.64(13) . . ?
O9 Gd3 O11 137.33(15) . . ?
O9 Gd3 O12 135.76(17) . . ?
O9 Gd3 O10 72.41(16) . . ?
O9 Gd3 N3 76.92(18) . . ?
O9 Gd3 O3 73.94(16) . . ?
O9 Gd3 O8 77.53(17) . . ?
O3 Gd3 Gd1 98.94(10) . . ?
O3 Gd3 Gd1 134.82(10) . 3_657 ?
O3 Gd3 Gd2 40.73(10) . . ?
O3 Gd3 O11 135.71(14) . . ?
O3 Gd3 O12 68.75(14) . . ?
O3 Gd3 O10 145.22(15) . . ?
O3 Gd3 N3 70.01(16) . . ?
O3 Gd3 O8 74.31(15) . . ?
O8 Gd3 Gd1 61.36(10) . . ?
O8 Gd3 Gd1 118.47(10) . 3_657 ?
O8 Gd3 Gd2 43.78(10) . . ?
O8 Gd3 O11 82.96(14) . . ?
O8 Gd3 N3 140.53(16) . . ?
O4 C13 C14 114.2(6) . . ?
O4 C13 C12 123.6(6) . . ?
C12 C13 C14 122.2(6) . . ?
N4 O14 Gd1 129.3(5) . . ?
C6 N1 Gd1 120.7(4) . 3_657 ?
C2 N1 Gd1 119.9(4) . 3_657 ?
C2 N1 C6 119.4(5) . . ?
Gd1 O11 Gd1 109.11(15) . 3_657 ?
Gd3 O11 Gd1 107.70(15) . 3_657 ?
Gd3 O11 Gd1 106.05(15) . . ?
Gd3 O2 Gd1 112.44(16) . 3_657 ?
C7 O2 Gd1 126.1(4) . 3_657 ?
C7 O2 Gd3 116.6(4) . . ?
N3 C8 C9 123.2(6) . . ?
N1 C6 C7 113.0(5) . . ?
N1 C6 C5 122.2(6) . . ?
C5 C6 C7 124.8(6) . . ?
C19 O6 Gd2 136.8(5) . . ?
Gd2 O1 Gd1 111.20(18) 3_657 3_657 ?
C1 O1 Gd1 127.7(4) . 3_657 ?
C1 O1 Gd2 121.0(4) . 3_657 ?
C15 O4 Gd2 123.5(4) . . ?
C13 O4 Gd2 118.0(4) . . ?
C13 O4 C15 118.4(5) . . ?
O2 C7 C6 116.6(5) . . ?
N2 C7 O2 125.5(6) . . ?
N2 C7 C6 117.9(5) . . ?
C7 N2 N3 109.4(5) . . ?
Gd1 O12 Gd2 106.01(17) . . ?
Gd1 O12 Gd3 109.60(18) . . ?
Gd3 O12 Gd2 96.43(15) . . ?
C17 O5 Gd2 134.4(5) . . ?
C11 C10 C9 120.9(7) . . ?
C29 O10 Gd3 135.4(5) . . ?
O7 C22 C23 125.5(7) . . ?
O7 C22 C21 115.2(7) . . ?
C23 C22 C21 119.3(7) . . ?
C31 O13 Gd1 129.6(5) . . ?
C10 C9 C8 117.8(6) . . ?
C14 C9 C8 123.4(6) . . ?
C14 C9 C10 118.8(6) . . ?
C22 O7 Gd2 138.3(5) . . ?
C8 N3 Gd3 132.6(5) . . ?
C8 N3 N2 112.2(5) . . ?
N2 N3 Gd3 114.6(3) . . ?
C4 C3 C2 118.0(6) . . ?
C9 C14 C13 118.7(6) . . ?
O3 C14 C13 118.1(6) . . ?
O3 C14 C9 123.1(6) . . ?
C13 C12 C11 118.5(7) . . ?
C27 O9 Gd3 137.7(5) . . ?
C6 C5 C4 118.2(6) . . ?
Gd3 O3 Gd2 98.75(15) . . ?
C14 O3 Gd2 124.4(4) . . ?
C14 O3 Gd3 130.7(4) . . ?
O1 C1 C2 111.2(5) . . ?
C29 C28 C27 124.9(7) . . ?
C24 C23 C22 125.6(7) . . ?
O9 C27 C28 123.4(7) . . ?
O9 C27 C26 116.2(7) . . ?
C28 C27 C26 120.4(7) . . ?
C10 C11 C12 120.7(6) . . ?
O14 N4 O16 117.0(7) . . ?
O14 N4 O15 124.4(7) . . ?
O16 N4 O15 118.3(7) . . ?
C23 C24 C25 118.4(6) . . ?
O8 C24 C23 124.1(6) . . ?
O8 C24 C25 117.4(6) . . ?
O6 C19 C18 124.4(7) . . ?
O6 C19 C20 115.4(8) . . ?
C18 C19 C20 120.2(8) . . ?
O10 C29 C28 125.1(7) . . ?
O10 C29 C30 115.0(7) . . ?
C28 C29 C30 119.7(7) . . ?
N1 C2 C3 121.9(6) . . ?
N1 C2 C1 116.3(6) . . ?
C3 C2 C1 121.8(6) . . ?
O5 C17 C18 125.7(7) . . ?
O5 C17 C16 115.2(7) . . ?
C18 C17 C16 119.1(7) . . ?
Gd3 O8 Gd2 94.02(15) . . ?
C24 O8 Gd2 133.8(4) . . ?
C24 O8 Gd3 130.5(4) . . ?
C17 C18 C19 123.8(7) . . ?
C5 C4 C3 120.2(6) . . ?

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
Gd1 O14 N4 O16 -159.4(7) . . . . ?
Gd1 O14 N4 O15 26.5(12) . . . . ?
Gd1 N1 C6 C7 2.0(7) 3_657 . . . ?
Gd1 N1 C6 C5 -179.7(5) 3_657 . . . ?
Gd1 N1 C2 C3 -180.0(5) 3_657 . . . ?
Gd1 N1 C2 C1 -0.5(8) 3_657 . . . ?
Gd1 O2 C7 C6 -2.4(7) 3_657 . . . ?
Gd1 O2 C7 N2 179.6(4) 3_657 . . . ?
Gd1 O1 C1 C2 7.5(8) 3_657 . . . ?
Gd2 O6 C19 C18 -5.4(12) . . . . ?
Gd2 O6 C19 C20 177.1(6) . . . . ?
Gd2 O1 C1 C2 -177.6(4) 3_657 . . . ?
Gd2 O5 C17 C18 15.3(12) . . . . ?
Gd2 O5 C17 C16 -166.6(6) . . . . ?
Gd3 O2 C7 C6 151.0(4) . . . . ?
Gd3 O2 C7 N2 -27.0(8) . . . . ?
Gd3 O10 C29 C28 -3.6(13) . . . . ?
Gd3 O10 C29 C30 172.0(6) . . . . ?
Gd3 O9 C27 C28 -13.4(13) . . . . ?
Gd3 O9 C27 C26 168.9(6) . . . . ?
C13 C14 O3 Gd2 7.0(8) . . . . ?
C13 C14 O3 Gd3 -139.4(5) . . . . ?
C13 C12 C11 C10 0.8(11) . . . . ?
N1 C6 C7 O2 0.1(8) . . . . ?
N1 C6 C7 N2 178.2(5) . . . . ?
N1 C6 C5 C4 0.5(10) . . . . ?
O2 C7 N2 N3 2.7(8) . . . . ?
C8 C9 C14 C13 -178.9(6) . . . . ?
C8 C9 C14 O3 -1.5(10) . . . . ?
C6 N1 C2 C3 0.4(10) . . . . ?
C6 N1 C2 C1 179.8(6) . . . . ?
C6 C7 N2 N3 -175.2(5) . . . . ?
C6 C5 C4 C3 -1.3(10) . . . . ?
O6 C19 C18 C17 -1.2(13) . . . . ?
O1 C1 C2 N1 -3.8(9) . . . . ?
O1 C1 C2 C3 175.7(6) . . . . ?
O4 C13 C14 C9 177.1(6) . . . . ?
O4 C13 C14 O3 -0.4(8) . . . . ?
O4 C13 C12 C11 -177.0(6) . . . . ?
C7 C6 C5 C4 178.6(6) . . . . ?
C7 N2 N3 Gd3 20.7(6) . . . . ?
C7 N2 N3 C8 -167.0(6) . . . . ?
O5 C17 C18 C19 -3.8(13) . . . . ?
C10 C9 C14 C13 -0.8(9) . . . . ?
C10 C9 C14 O3 176.6(6) . . . . ?
C22 C23 C24 O8 -3.7(11) . . . . ?
C22 C23 C24 C25 174.9(7) . . . . ?
C9 C8 N3 Gd3 -10.9(10) . . . . ?
C9 C8 N3 N2 178.6(6) . . . . ?
C9 C10 C11 C12 -4.0(11) . . . . ?
C9 C14 O3 Gd2 -170.4(5) . . . . ?
C9 C14 O3 Gd3 43.2(8) . . . . ?
O7 C22 C23 C24 3.8(12) . . . . ?
N3 C8 C9 C10 168.6(6) . . . . ?
N3 C8 C9 C14 -13.3(11) . . . . ?
C14 C13 O4 Gd2 -5.5(7) . . . . ?
C14 C13 O4 C15 173.7(6) . . . . ?
C14 C13 C12 C11 2.4(11) . . . . ?
C12 C13 O4 Gd2 174.0(5) . . . . ?
C12 C13 O4 C15 -6.8(10) . . . . ?
C12 C13 C14 C9 -2.4(10) . . . . ?
C12 C13 C14 O3 -179.9(6) . . . . ?
C5 C6 C7 O2 -178.1(6) . . . . ?
C5 C6 C7 N2 0.0(9) . . . . ?
C23 C22 O7 Gd2 6.0(12) . . . . ?
C23 C24 O8 Gd2 -4.9(10) . . . . ?
C23 C24 O8 Gd3 156.6(5) . . . . ?
C27 C28 C29 O10 3.9(15) . . . . ?
C27 C28 C29 C30 -171.5(9) . . . . ?
C11 C10 C9 C8 -177.9(7) . . . . ?
C11 C10 C9 C14 4.0(10) . . . . ?
C29 C28 C27 O9 4.0(15) . . . . ?
C29 C28 C27 C26 -178.4(9) . . . . ?
C2 N1 C6 C7 -178.4(5) . . . . ?
C2 N1 C6 C5 -0.1(9) . . . . ?
C2 C3 C4 C5 1.5(11) . . . . ?
C4 C3 C2 N1 -1.1(11) . . . . ?
C4 C3 C2 C1 179.5(7) . . . . ?
C21 C22 O7 Gd2 -173.8(6) . . . . ?
C21 C22 C23 C24 -176.4(8) . . . . ?
C16 C17 C18 C19 178.1(8) . . . . ?
C25 C24 O8 Gd2 176.4(4) . . . . ?
C25 C24 O8 Gd3 -22.0(8) . . . . ?
C20 C19 C18 C17 176.1(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2015151'
loop_
_audit_author_name
_audit_author_address
'Zhilei Wu'
;Hebei University
China
;
_audit_update_record             
;
2020-09-21 deposited with the CCDC.	2020-09-24 downloaded from the CCDC.
;
_audit_creation_date             2020-09-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C62 H78 Dy6 N8 O32, 3[C2H3N], 2[CH4O]'
_chemical_formula_sum            'C70 H95 Dy6 N11 O34'
_chemical_formula_weight         2609.58
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.2565(6)
_cell_length_b                   14.3411(7)
_cell_length_c                   14.4407(7)
_cell_angle_alpha                91.697(3)
_cell_angle_beta                 114.999(2)
_cell_angle_gamma                116.737(2)
_cell_volume                     2299.99(19)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9897
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.43
_cell_measurement_theta_min      2.61
_shelx_estimated_absorpt_T_max   0.548
_shelx_estimated_absorpt_T_min   0.304
_exptl_absorpt_coefficient_mu    4.885
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5240
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1014 before and 0.0652 after correction.
The Ratio of minimum to maximum transmission is 0.7030.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1158
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_unetI/netI     0.0428
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            38431
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.019
_diffrn_reflns_theta_min         2.607
_diffrn_ambient_temperature      149.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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                6917
_reflns_number_total             9035
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XL (Sheldrick, 2008)'
_refine_diff_density_max         1.742
_refine_diff_density_min         -0.852
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         9035
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0404
_refine_ls_restrained_S_all      1.047
_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)+(0.0562P)²+3.9929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1134
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O13-H13
 0.87 with sigma of 0.01
 O14-O16A
 2 with sigma of 0.02
 H12_$1-O14
 2.2 with sigma of 0.02
 O11-H11
 0.85 with sigma of 0.02
 O9-H11
 2.3 with sigma of 0.02
 C31-H13
 1.91498 with sigma of 0.02
 Dy3-H13
 2.999742 with sigma of 0.02
 O14-N4 \\sim N4-O15
 with sigma of 0.02
 O16B-N4 \\sim N4-O14
 with sigma of 0.02
 O16B-N4 \\sim N4-O15
 with sigma of 0.02
 O16B-N4 \\sim N4-O16A
 with sigma of 0.02
3. Rigid bond restraints
 N4, O14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O16B, N4, O14, O15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O16B, N4, O14
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 O14, N4, O16A, O16B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
N4 \\sim O14: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
N4 \\sim O15: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O16B) = Uanis(O16A)
5. Others
 Sof(O16B)=1-FVAR(1)
 Sof(O16A)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C28(H28), C12(H12A), C11(H11A), C10(H10), C18(H18), C23(H23),
 C8(H8), C5(H5)
6.c Fitted hexagon refined as free rotating group:
 C14(C13,C12,C11,C10,C9)
6.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C25(H25A,H25B,
 H25C), C21(H21A,H21B,H21C), C26(H26A,H26B,H26C), C20(H20A,H20B,H20C), C15(H15A,
 H15B,H15C)
;
_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 0.62390(3) 0.29769(3) 0.73977(3) 0.05013(10) Uani 1 1 d . . . . .
Dy2 Dy 0.35810(3) 0.31464(3) 0.59922(3) 0.04924(10) Uani 1 1 d . . . . .
Dy3 Dy 0.34520(3) 0.46137(3) 0.37208(3) 0.05003(10) Uani 1 1 d D . . . .
O6 O 0.2157(4) 0.3677(4) 0.5781(4) 0.0580(13) Uani 1 1 d . . . . .
O10 O 0.7983(5) 0.2877(4) 0.8105(4) 0.0586(12) Uani 1 1 d . . . . .
O1 O 0.2475(4) 0.5268(4) 0.2413(4) 0.0535(12) Uani 1 1 d . . . . .
O2 O 0.2582(4) 0.2955(4) 0.4171(4) 0.0509(11) Uani 1 1 d . . . . .
O3 O 0.4110(4) 0.1839(4) 0.6484(4) 0.0492(11) Uani 1 1 d . . . . .
O5 O 0.2841(4) 0.2503(4) 0.7147(4) 0.0563(12) Uani 1 1 d . . . . .
O13 O 0.2388(4) 0.5008(4) 0.4478(4) 0.0562(12) Uani 1 1 d D . . . .
H13 H 0.222(5) 0.465(5) 0.492(4) 0.084 Uiso 1 1 d DR . . . .
O9 O 0.6095(4) 0.1910(4) 0.6051(4) 0.0602(13) Uani 1 1 d D . . . .
O14 O 0.3381(5) 0.3494(5) 0.2504(5) 0.0699(14) Uani 1 1 d D U . . .
O0AA O 0.5402(4) 0.1231(4) 0.7896(4) 0.0609(13) Uani 1 1 d . . . . .
N1 N 0.1236(5) 0.3291(5) 0.2503(5) 0.0507(13) Uani 1 1 d . . . . .
O8 O 0.6999(5) 0.3502(4) 0.9222(4) 0.0604(13) Uani 1 1 d . . . . .
O7 O 0.5329(4) 0.3969(4) 0.7731(4) 0.0556(12) Uani 1 1 d . . . . .
O11 O 0.5324(4) 0.3497(4) 0.5859(4) 0.0496(11) Uani 1 1 d D . . . .
N2 N 0.0984(5) 0.1291(5) 0.3905(5) 0.0561(15) Uani 1 1 d . . . . .
C16 C 0.1595(8) 0.1521(8) 0.7860(7) 0.070(2) Uani 1 1 d . . . . .
H16A H 0.191736 0.104098 0.787868 0.106 Uiso 1 1 calc GR . . . .
H16B H 0.071834 0.108369 0.754975 0.106 Uiso 1 1 calc GR . . . .
H16C H 0.194791 0.194716 0.858389 0.106 Uiso 1 1 calc GR . . . .
C17 C 0.1900(7) 0.2265(6) 0.7203(6) 0.0562(17) Uani 1 1 d . . . . .
N3 N 0.1833(5) 0.1318(5) 0.4890(5) 0.0529(14) Uani 1 1 d . . . . .
C3 C -0.0602(7) 0.2777(8) 0.0926(7) 0.073(2) Uani 1 1 d . . . . .
H3 H -0.104540 0.295713 0.033219 0.088 Uiso 1 1 calc R . . . .
C19 C 0.1297(7) 0.3337(7) 0.6008(8) 0.066(2) Uani 1 1 d . . . . .
C30 C 0.9696(9) 0.2743(10) 0.8530(9) 0.097(3) Uani 1 1 d . . . . .
H30A H 1.012770 0.343957 0.905628 0.145 Uiso 1 1 calc GR . . . .
H30B H 1.014292 0.277439 0.815833 0.145 Uiso 1 1 calc GR . . . .
H30C H 0.961991 0.216438 0.888745 0.145 Uiso 1 1 calc GR . . . .
C7 C 0.1471(6) 0.2170(6) 0.3641(6) 0.0498(16) Uani 1 1 d . . . . .
C2 C 0.0616(6) 0.3542(6) 0.1653(6) 0.0561(17) Uani 1 1 d . . . . .
O12 O 0.4471(4) 0.4882(4) 0.5661(4) 0.0495(11) Uani 1 1 d . . . . .
C4 C -0.1131(7) 0.1790(8) 0.1079(8) 0.081(3) Uani 1 1 d . . . . .
H4 H -0.194347 0.126537 0.058542 0.098 Uiso 1 1 calc R . . . .
C31 C 0.1550(9) 0.5384(9) 0.4043(9) 0.080(3) Uani 1 1 d D . . . .
H31A H 0.075617 0.477314 0.352728 0.121 Uiso 1 1 calc GR . . . .
H31B H 0.183115 0.593740 0.369042 0.121 Uiso 1 1 calc GR . . . .
H31C H 0.149391 0.569709 0.461674 0.121 Uiso 1 1 calc GR . . . .
C27 C 0.6773(7) 0.1668(7) 0.5903(6) 0.0590(18) Uani 1 1 d . . . . .
C28 C 0.7926(7) 0.1951(7) 0.6693(7) 0.0616(19) Uani 1 1 d . . . . .
H28 H 0.837553 0.174156 0.649814 0.074 Uiso 1 1 calc R . . . .
C29 C 0.8461(7) 0.2516(7) 0.7740(7) 0.0617(19) Uani 1 1 d . . . . .
C25 C 0.7788(9) 0.4274(9) 1.1034(8) 0.085(3) Uani 1 1 d . . . . .
H25A H 0.743861 0.359607 1.122094 0.128 Uiso 1 1 calc GR . . . .
H25B H 0.782215 0.484792 1.145637 0.128 Uiso 1 1 calc GR . . . .
H25C H 0.860245 0.448178 1.117995 0.128 Uiso 1 1 calc GR . . . .
C14 C 0.3502(3) 0.0857(3) 0.6611(4) 0.0534(17) Uani 1 1 d . . . . .
C13 C 0.4186(3) 0.0542(3) 0.7396(3) 0.0512(16) Uani 1 1 d G . . . .
C12 C 0.3628(4) -0.0450(4) 0.7592(4) 0.0578(18) Uani 1 1 d G . . . .
H12A H 0.409518 -0.066556 0.812810 0.069 Uiso 1 1 calc R . . . .
C11 C 0.2386(4) -0.1126(3) 0.7004(4) 0.066(2) Uani 1 1 d G . . . .
H11A H 0.200426 -0.180359 0.713816 0.080 Uiso 1 1 calc R . . . .
C10 C 0.1702(3) -0.0810(4) 0.6219(4) 0.064(2) Uani 1 1 d G . . . .
H10 H 0.085314 -0.127250 0.581757 0.077 Uiso 1 1 calc R . . . .
C9 C 0.2260(3) 0.0181(4) 0.6023(3) 0.0535(17) Uani 1 1 d G . . . .
C18 C 0.1135(7) 0.2650(7) 0.6649(7) 0.067(2) Uani 1 1 d . . . . .
H18 H 0.043736 0.241581 0.672100 0.080 Uiso 1 1 calc R . . . .
C24 C 0.7024(7) 0.4117(7) 0.9880(7) 0.065(2) Uani 1 1 d . . . . .
C21 C 0.4818(8) 0.5078(8) 0.8421(7) 0.072(2) Uani 1 1 d . . . . .
H21A H 0.474425 0.536975 0.780465 0.108 Uiso 1 1 calc GR . . . .
H21B H 0.522789 0.567156 0.905621 0.108 Uiso 1 1 calc GR . . . .
H21C H 0.401515 0.455124 0.830313 0.108 Uiso 1 1 calc GR . . . .
C23 C 0.6368(7) 0.4658(7) 0.9592(6) 0.064(2) Uani 1 1 d . . . . .
H23 H 0.651050 0.515771 1.015161 0.077 Uiso 1 1 calc R . . . .
C8 C 0.1505(6) 0.0405(6) 0.5114(6) 0.0561(18) Uani 1 1 d . . . . .
H8 H 0.070779 -0.017189 0.465124 0.067 Uiso 1 1 calc R . . . .
C6 C 0.0677(6) 0.2308(6) 0.2648(6) 0.0548(17) Uani 1 1 d . . . . .
C22 C 0.5535(7) 0.4530(7) 0.8573(7) 0.0605(19) Uani 1 1 d . . . . .
C1 C 0.1314(7) 0.4646(7) 0.1545(6) 0.064(2) Uani 1 1 d . . . . .
H1A H 0.137192 0.456461 0.089096 0.076 Uiso 1 1 calc R . . . .
H1B H 0.087188 0.503434 0.146871 0.076 Uiso 1 1 calc R . . . .
C26 C 0.6299(8) 0.1043(8) 0.4810(8) 0.074(2) Uani 1 1 d . . . . .
H26A H 0.569405 0.028870 0.468039 0.112 Uiso 1 1 calc GR . . . .
H26B H 0.696117 0.106134 0.473963 0.112 Uiso 1 1 calc GR . . . .
H26C H 0.593069 0.136675 0.429177 0.112 Uiso 1 1 calc GR . . . .
C5 C -0.0482(7) 0.1543(8) 0.1963(7) 0.071(2) Uani 1 1 d . . . . .
H5 H -0.084307 0.085274 0.208313 0.085 Uiso 1 1 calc R . . . .
C20 C 0.0429(9) 0.3723(9) 0.5532(10) 0.091(3) Uani 1 1 d . . . . .
H20A H 0.085791 0.451625 0.578280 0.136 Uiso 1 1 calc GR . . . .
H20B H -0.019183 0.340572 0.574544 0.136 Uiso 1 1 calc GR . . . .
H20C H 0.004986 0.350167 0.475670 0.136 Uiso 1 1 calc GR . . . .
C15 C 0.6127(8) 0.0855(8) 0.8622(8) 0.083(3) Uani 1 1 d . U . . .
H15A H 0.697338 0.133710 0.882142 0.125 Uiso 1 1 calc GR . . . .
H15B H 0.586226 0.011681 0.827914 0.125 Uiso 1 1 calc GR . . . .
H15C H 0.603910 0.085635 0.925940 0.125 Uiso 1 1 calc GR . . . .
O15 O 0.3645(9) 0.2297(8) 0.1762(8) 0.130(3) Uani 1 1 d D U . . .
N4 N 0.2934(9) 0.2745(8) 0.1663(7) 0.112(3) Uani 1 1 d D U . . .
H12 H 0.477(4) 0.541(8) 0.618(7) 0.12(5) Uiso 1 1 d D . . . .
O16B O 0.1897(16) 0.2400(18) 0.0659(11) 0.200(8) Uani 0.81(3) 1 d D U P A 2
O16A O 0.203(7) 0.294(7) 0.102(3) 0.200(8) Uani 0.19(3) 1 d D U P A 1
H11 H 0.529(9) 0.301(6) 0.544(3) 0.12(4) Uiso 1 1 d 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 3.5910(5) . ?
Dy1 Dy3 3.7822(5) 2_666 ?
Dy1 O10 2.330(5) . ?
Dy1 O1 2.270(5) 2_666 ?
Dy1 O3 2.377(5) . ?
Dy1 O9 2.317(5) . ?
Dy1 O0AA 2.521(5) . ?
Dy1 O8 2.327(6) . ?
Dy1 O7 2.467(5) . ?
Dy1 O11 2.391(5) . ?
Dy2 Dy3 3.9328(5) . ?
Dy2 Dy3 3.8204(5) 2_666 ?
Dy2 O6 2.382(4) . ?
Dy2 O2 2.337(5) . ?
Dy2 O3 2.342(4) . ?
Dy2 O5 2.333(5) . ?
Dy2 O7 2.408(5) . ?
Dy2 O11 2.398(4) . ?
Dy2 N3 2.478(6) . ?
Dy2 O12 2.403(5) . ?
Dy3 Dy3 3.9916(7) 2_666 ?
Dy3 O1 2.334(5) . ?
Dy3 O2 2.395(5) . ?
Dy3 O13 2.440(5) . ?
Dy3 O14 2.283(6) . ?
Dy3 N1 2.527(6) . ?
Dy3 O11 2.346(5) 2_666 ?
Dy3 O12 2.470(5) . ?
Dy3 O12 2.427(4) 2_666 ?
O6 C19 1.288(9) . ?
O10 C29 1.271(9) . ?
O1 C1 1.400(9) . ?
O2 C7 1.297(8) . ?
O3 C14 1.349(5) . ?
O5 C17 1.267(8) . ?
O13 C31 1.441(9) . ?
O9 C27 1.254(9) . ?
O14 N4 1.299(9) . ?
O0AA C13 1.364(6) . ?
O0AA C15 1.441(8) . ?
N1 C2 1.346(9) . ?
N1 C6 1.347(9) . ?
O8 C24 1.255(10) . ?
O7 C22 1.280(9) . ?
N2 N3 1.410(8) . ?
N2 C7 1.297(9) . ?
C16 C17 1.490(11) . ?
C17 C18 1.401(11) . ?
N3 C8 1.281(9) . ?
C3 C2 1.413(11) . ?
C3 C4 1.350(12) . ?
C19 C18 1.383(11) . ?
C19 C20 1.494(11) . ?
C30 C29 1.507(11) . ?
C7 C6 1.491(10) . ?
C2 C1 1.499(11) . ?
C4 C5 1.390(12) . ?
C27 C28 1.398(11) . ?
C27 C26 1.490(12) . ?
C28 C29 1.385(12) . ?
C25 C24 1.495(12) . ?
C14 C13 1.3900 . ?
C14 C9 1.3900 . ?
C13 C12 1.3900 . ?
C12 C11 1.3900 . ?
C11 C10 1.3900 . ?
C10 C9 1.3900 . ?
C9 C8 1.458(8) . ?
C24 C23 1.413(12) . ?
C21 C22 1.501(11) . ?
C23 C22 1.386(11) . ?
C6 C5 1.355(11) . ?
O15 N4 1.391(10) . ?
N4 O16B 1.421(12) . ?
N4 O16A 1.383(17) . ?

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
Dy2 Dy1 Dy3 62.353(9) . 2_666 ?
O10 Dy1 Dy2 172.42(13) . . ?
O10 Dy1 Dy3 113.34(13) . 2_666 ?
O10 Dy1 O3 140.82(18) . . ?
O10 Dy1 O0AA 83.28(17) . . ?
O10 Dy1 O7 143.13(18) . . ?
O10 Dy1 O11 131.24(17) . . ?
O1 Dy1 Dy2 94.52(11) 2_666 . ?
O1 Dy1 Dy3 35.31(11) 2_666 2_666 ?
O1 Dy1 O10 83.18(18) 2_666 . ?
O1 Dy1 O3 134.25(16) 2_666 . ?
O1 Dy1 O9 107.41(19) 2_666 . ?
O1 Dy1 O0AA 158.63(17) 2_666 . ?
O1 Dy1 O8 85.82(18) 2_666 . ?
O1 Dy1 O7 75.99(17) 2_666 . ?
O1 Dy1 O11 70.93(17) 2_666 . ?
O3 Dy1 Dy2 40.08(11) . . ?
O3 Dy1 Dy3 100.06(11) . 2_666 ?
O3 Dy1 O0AA 63.67(15) . . ?
O3 Dy1 O7 70.62(16) . . ?
O3 Dy1 O11 68.54(16) . . ?
O9 Dy1 Dy2 101.10(12) . . ?
O9 Dy1 Dy3 98.30(14) . 2_666 ?
O9 Dy1 O10 72.87(18) . . ?
O9 Dy1 O3 82.89(17) . . ?
O9 Dy1 O0AA 84.18(19) . . ?
O9 Dy1 O8 144.70(19) . . ?
O9 Dy1 O7 142.41(17) . . ?
O9 Dy1 O11 76.48(18) . . ?
O0AA Dy1 Dy2 100.90(11) . . ?
O0AA Dy1 Dy3 163.25(11) . 2_666 ?
O8 Dy1 Dy2 110.53(13) . . ?
O8 Dy1 Dy3 109.87(13) . 2_666 ?
O8 Dy1 O10 76.58(18) . . ?
O8 Dy1 O3 111.54(17) . . ?
O8 Dy1 O0AA 74.99(18) . . ?
O8 Dy1 O7 71.91(18) . . ?
O8 Dy1 O11 138.44(18) . . ?
O7 Dy1 Dy2 41.93(12) . . ?
O7 Dy1 Dy3 62.25(12) . 2_666 ?
O7 Dy1 O0AA 106.06(17) . . ?
O11 Dy1 Dy2 41.49(11) . . ?
O11 Dy1 Dy3 36.62(12) . 2_666 ?
O11 Dy1 O0AA 130.12(17) . . ?
O11 Dy1 O7 69.31(16) . . ?
Dy1 Dy2 Dy3 116.100(11) . . ?
Dy1 Dy2 Dy3 61.277(10) . 2_666 ?
Dy3 Dy2 Dy3 61.952(10) 2_666 . ?
O6 Dy2 Dy1 156.33(14) . . ?
O6 Dy2 Dy3 115.11(13) . 2_666 ?
O6 Dy2 Dy3 76.32(12) . . ?
O6 Dy2 O7 113.36(18) . . ?
O6 Dy2 O11 147.74(17) . . ?
O6 Dy2 N3 86.77(19) . . ?
O6 Dy2 O12 79.02(16) . . ?
O2 Dy2 Dy1 125.96(11) . . ?
O2 Dy2 Dy3 91.36(11) . 2_666 ?
O2 Dy2 Dy3 34.26(12) . . ?
O2 Dy2 O6 76.07(17) . . ?
O2 Dy2 O3 116.15(17) . . ?
O2 Dy2 O7 153.17(17) . . ?
O2 Dy2 O11 88.58(16) . . ?
O2 Dy2 N3 64.17(18) . . ?
O2 Dy2 O12 70.95(17) . . ?
O3 Dy2 Dy1 40.80(11) . . ?
O3 Dy2 Dy3 134.09(11) . . ?
O3 Dy2 Dy3 99.70(11) . 2_666 ?
O3 Dy2 O6 143.26(16) . . ?
O3 Dy2 O7 72.24(17) . . ?
O3 Dy2 O11 69.00(16) . . ?
O3 Dy2 N3 70.73(18) . . ?
O3 Dy2 O12 137.22(15) . . ?
O5 Dy2 Dy1 94.30(12) . . ?
O5 Dy2 Dy3 135.85(13) . 2_666 ?
O5 Dy2 Dy3 148.44(12) . . ?
O5 Dy2 O6 72.22(17) . . ?
O5 Dy2 O2 131.00(17) . . ?
O5 Dy2 O3 74.73(16) . . ?
O5 Dy2 O7 75.17(17) . . ?
O5 Dy2 O11 135.66(16) . . ?
O5 Dy2 N3 77.55(19) . . ?
O5 Dy2 O12 135.03(18) . . ?
O7 Dy2 Dy1 43.19(11) . . ?
O7 Dy2 Dy3 120.93(12) . . ?
O7 Dy2 Dy3 61.81(12) . 2_666 ?
O7 Dy2 N3 138.47(19) . . ?
O11 Dy2 Dy1 41.36(11) . . ?
O11 Dy2 Dy3 75.19(11) . . ?
O11 Dy2 Dy3 35.91(12) . 2_666 ?
O11 Dy2 O7 70.19(16) . . ?
O11 Dy2 N3 112.07(18) . . ?
O11 Dy2 O12 69.12(15) . . ?
N3 Dy2 Dy1 109.74(13) . . ?
N3 Dy2 Dy3 98.43(14) . . ?
N3 Dy2 Dy3 143.05(14) . 2_666 ?
O12 Dy2 Dy1 98.99(11) . . ?
O12 Dy2 Dy3 36.76(13) . . ?
O12 Dy2 Dy3 37.94(11) . 2_666 ?
O12 Dy2 O7 85.84(18) . . ?
O12 Dy2 N3 134.96(19) . . ?
Dy1 Dy3 Dy2 56.369(9) 2_666 2_666 ?
Dy1 Dy3 Dy2 153.210(13) 2_666 . ?
Dy1 Dy3 Dy3 110.454(14) 2_666 2_666 ?
Dy2 Dy3 Dy2 118.049(10) 2_666 . ?
Dy2 Dy3 Dy3 57.640(10) . 2_666 ?
Dy2 Dy3 Dy3 60.409(10) 2_666 2_666 ?
O1 Dy3 Dy1 34.22(12) . 2_666 ?
O1 Dy3 Dy2 87.72(11) . 2_666 ?
O1 Dy3 Dy2 150.05(11) . . ?
O1 Dy3 Dy3 144.66(12) . 2_666 ?
O1 Dy3 O2 128.20(16) . . ?
O1 Dy3 O13 79.78(17) . . ?
O1 Dy3 N1 65.19(18) . . ?
O1 Dy3 O11 70.67(17) . 2_666 ?
O1 Dy3 O12 142.50(17) . . ?
O1 Dy3 O12 122.30(16) . 2_666 ?
O2 Dy3 Dy1 160.95(10) . 2_666 ?
O2 Dy3 Dy2 142.68(11) . 2_666 ?
O2 Dy3 Dy2 33.31(12) . . ?
O2 Dy3 Dy3 86.43(11) . 2_666 ?
O2 Dy3 O13 80.19(16) . . ?
O2 Dy3 N1 63.45(17) . . ?
O2 Dy3 O12 105.34(16) . 2_666 ?
O2 Dy3 O12 68.85(17) . . ?
O13 Dy3 Dy1 87.25(12) . 2_666 ?
O13 Dy3 Dy2 73.88(11) . . ?
O13 Dy3 Dy2 121.21(13) . 2_666 ?
O13 Dy3 Dy3 102.85(12) . 2_666 ?
O13 Dy3 N1 73.72(19) . . ?
O13 Dy3 O12 70.26(16) . . ?
O14 Dy3 Dy1 102.84(15) . 2_666 ?
O14 Dy3 Dy2 88.47(14) . 2_666 ?
O14 Dy3 Dy2 103.15(15) . . ?
O14 Dy3 Dy3 101.46(15) . 2_666 ?
O14 Dy3 O1 91.8(2) . . ?
O14 Dy3 O2 81.47(19) . . ?
O14 Dy3 O13 148.4(2) . . ?
O14 Dy3 N1 75.09(19) . . ?
O14 Dy3 O11 120.48(19) . 2_666 ?
O14 Dy3 O12 125.43(19) . . ?
O14 Dy3 O12 74.74(19) . 2_666 ?
N1 Dy3 Dy1 99.37(13) . 2_666 ?
N1 Dy3 Dy2 147.26(13) . 2_666 ?
N1 Dy3 Dy2 93.49(13) . . ?
N1 Dy3 Dy3 149.88(13) . 2_666 ?
O11 Dy3 Dy1 37.44(12) 2_666 2_666 ?
O11 Dy3 Dy2 120.29(12) 2_666 . ?
O11 Dy3 Dy2 36.82(11) 2_666 2_666 ?
O11 Dy3 Dy3 74.39(11) 2_666 2_666 ?
O11 Dy3 O2 152.95(17) 2_666 . ?
O11 Dy3 O13 85.61(17) 2_666 . ?
O11 Dy3 N1 133.68(17) 2_666 . ?
O11 Dy3 O12 69.55(16) 2_666 2_666 ?
O11 Dy3 O12 84.73(17) 2_666 . ?
O12 Dy3 Dy1 120.13(12) . 2_666 ?
O12 Dy3 Dy1 93.66(12) 2_666 2_666 ?
O12 Dy3 Dy2 88.94(11) . 2_666 ?
O12 Dy3 Dy2 86.96(12) 2_666 . ?
O12 Dy3 Dy2 37.50(12) 2_666 2_666 ?
O12 Dy3 Dy2 35.61(12) . . ?
O12 Dy3 Dy3 35.04(10) . 2_666 ?
O12 Dy3 Dy3 35.75(12) 2_666 2_666 ?
O12 Dy3 O13 135.18(18) 2_666 . ?
O12 Dy3 N1 149.10(19) 2_666 . ?
O12 Dy3 N1 123.69(17) . . ?
O12 Dy3 O12 70.80(18) 2_666 . ?
C19 O6 Dy2 133.3(5) . . ?
C29 O10 Dy1 135.9(5) . . ?
Dy1 O1 Dy3 110.47(19) 2_666 . ?
C1 O1 Dy1 123.4(4) . 2_666 ?
C1 O1 Dy3 125.6(4) . . ?
Dy2 O2 Dy3 112.43(19) . . ?
C7 O2 Dy2 116.4(4) . . ?
C7 O2 Dy3 125.9(4) . . ?
Dy2 O3 Dy1 99.12(17) . . ?
C14 O3 Dy1 124.8(3) . . ?
C14 O3 Dy2 131.8(3) . . ?
C17 O5 Dy2 136.6(5) . . ?
C31 O13 Dy3 129.7(5) . . ?
C27 O9 Dy1 137.1(5) . . ?
N4 O14 Dy3 159.3(6) . . ?
C13 O0AA Dy1 119.1(3) . . ?
C13 O0AA C15 116.4(6) . . ?
C15 O0AA Dy1 124.3(5) . . ?
C2 N1 Dy3 119.6(5) . . ?
C2 N1 C6 119.0(6) . . ?
C6 N1 Dy3 121.2(4) . . ?
C24 O8 Dy1 138.9(5) . . ?
Dy2 O7 Dy1 94.88(17) . . ?
C22 O7 Dy1 133.6(5) . . ?
C22 O7 Dy2 130.0(5) . . ?
Dy1 O11 Dy2 97.15(17) . . ?
Dy3 O11 Dy1 105.94(19) 2_666 . ?
Dy3 O11 Dy2 107.27(18) 2_666 . ?
C7 N2 N3 110.0(6) . . ?
O5 C17 C16 117.8(7) . . ?
O5 C17 C18 122.3(7) . . ?
C18 C17 C16 119.9(7) . . ?
N2 N3 Dy2 115.2(4) . . ?
C8 N3 Dy2 130.3(5) . . ?
C8 N3 N2 114.0(6) . . ?
C4 C3 C2 119.6(8) . . ?
O6 C19 C18 124.4(7) . . ?
O6 C19 C20 116.5(7) . . ?
C18 C19 C20 119.1(7) . . ?
O2 C7 C6 116.6(6) . . ?
N2 C7 O2 126.1(6) . . ?
N2 C7 C6 117.3(6) . . ?
N1 C2 C3 120.0(7) . . ?
N1 C2 C1 115.4(6) . . ?
C3 C2 C1 124.5(7) . . ?
Dy2 O12 Dy3 104.55(18) . 2_666 ?
Dy2 O12 Dy3 107.6(2) . . ?
Dy3 O12 Dy3 109.20(18) 2_666 . ?
C3 C4 C5 119.8(8) . . ?
O9 C27 C28 124.0(7) . . ?
O9 C27 C26 116.8(7) . . ?
C28 C27 C26 119.3(7) . . ?
C29 C28 C27 124.9(7) . . ?
O10 C29 C30 115.6(8) . . ?
O10 C29 C28 124.5(7) . . ?
C28 C29 C30 120.0(8) . . ?
O3 C14 C13 116.3(3) . . ?
O3 C14 C9 123.7(3) . . ?
C13 C14 C9 120.0 . . ?
O0AA C13 C14 115.9(4) . . ?
O0AA C13 C12 124.0(4) . . ?
C14 C13 C12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C10 C11 C12 120.0 . . ?
C11 C10 C9 120.0 . . ?
C14 C9 C8 122.8(4) . . ?
C10 C9 C14 120.0 . . ?
C10 C9 C8 116.9(4) . . ?
C19 C18 C17 126.4(7) . . ?
O8 C24 C25 117.8(8) . . ?
O8 C24 C23 123.8(8) . . ?
C23 C24 C25 118.4(8) . . ?
C22 C23 C24 126.3(8) . . ?
N3 C8 C9 125.1(6) . . ?
N1 C6 C7 112.5(6) . . ?
N1 C6 C5 123.0(7) . . ?
C5 C6 C7 124.5(7) . . ?
O7 C22 C21 116.7(7) . . ?
O7 C22 C23 124.2(7) . . ?
C23 C22 C21 119.2(7) . . ?
O1 C1 C2 112.8(6) . . ?
C6 C5 C4 118.5(8) . . ?
O14 N4 O15 113.4(8) . . ?
O14 N4 O16B 129.1(11) . . ?
O14 N4 O16A 95.7(15) . . ?
O15 N4 O16B 117.3(11) . . ?
O16A N4 O15 149(2) . . ?

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 O10 C29 C30 174.2(6) . . . . ?
Dy1 O10 C29 C28 -5.5(13) . . . . ?
Dy1 O1 C1 C2 -175.6(5) 2_666 . . . ?
Dy1 O3 C14 C13 5.1(5) . . . . ?
Dy1 O3 C14 C9 -176.2(3) . . . . ?
Dy1 O9 C27 C28 8.0(13) . . . . ?
Dy1 O9 C27 C26 -171.7(6) . . . . ?
Dy1 O0AA C13 C14 2.0(5) . . . . ?
Dy1 O0AA C13 C12 178.7(3) . . . . ?
Dy1 O8 C24 C25 -172.8(6) . . . . ?
Dy1 O8 C24 C23 7.7(13) . . . . ?
Dy1 O7 C22 C21 175.6(5) . . . . ?
Dy1 O7 C22 C23 -4.2(12) . . . . ?
Dy2 O6 C19 C18 12.9(14) . . . . ?
Dy2 O6 C19 C20 -166.9(7) . . . . ?
Dy2 O2 C7 N2 -24.6(9) . . . . ?
Dy2 O2 C7 C6 153.9(5) . . . . ?
Dy2 O3 C14 C13 -146.8(3) . . . . ?
Dy2 O3 C14 C9 31.9(7) . . . . ?
Dy2 O5 C17 C16 158.7(6) . . . . ?
Dy2 O5 C17 C18 -19.3(13) . . . . ?
Dy2 O7 C22 C21 -22.6(10) . . . . ?
Dy2 O7 C22 C23 157.6(6) . . . . ?
Dy2 N3 C8 C9 -15.3(11) . . . . ?
Dy3 O1 C1 C2 13.5(9) . . . . ?
Dy3 O2 C7 N2 -176.9(6) . . . . ?
Dy3 O2 C7 C6 1.6(9) . . . . ?
Dy3 O14 N4 O15 -155.7(14) . . . . ?
Dy3 O14 N4 O16B 30(3) . . . . ?
Dy3 O14 N4 O16A 34(6) . . . . ?
Dy3 N1 C2 C3 175.5(6) . . . . ?
Dy3 N1 C2 C1 -3.3(9) . . . . ?
Dy3 N1 C6 C7 6.2(8) . . . . ?
Dy3 N1 C6 C5 -174.3(7) . . . . ?
O6 C19 C18 C17 4.1(16) . . . . ?
O2 C7 C6 N1 -5.0(9) . . . . ?
O2 C7 C6 C5 175.5(8) . . . . ?
O3 C14 C13 O0AA -4.3(5) . . . . ?
O3 C14 C13 C12 178.8(5) . . . . ?
O3 C14 C9 C10 -178.7(5) . . . . ?
O3 C14 C9 C8 8.3(6) . . . . ?
O5 C17 C18 C19 -1.7(15) . . . . ?
O9 C27 C28 C29 1.2(14) . . . . ?
O0AA C13 C12 C11 -176.7(5) . . . . ?
N1 C2 C1 O1 -5.6(10) . . . . ?
N1 C6 C5 C4 -1.2(14) . . . . ?
O8 C24 C23 C22 5.8(14) . . . . ?
N2 N3 C8 C9 173.3(6) . . . . ?
N2 C7 C6 N1 173.6(7) . . . . ?
N2 C7 C6 C5 -5.9(12) . . . . ?
C16 C17 C18 C19 -179.7(9) . . . . ?
N3 N2 C7 O2 2.0(10) . . . . ?
N3 N2 C7 C6 -176.5(6) . . . . ?
C3 C2 C1 O1 175.7(8) . . . . ?
C3 C4 C5 C6 -0.3(16) . . . . ?
C7 N2 N3 Dy2 19.9(7) . . . . ?
C7 N2 N3 C8 -167.3(6) . . . . ?
C7 C6 C5 C4 178.3(9) . . . . ?
C2 N1 C6 C7 -178.0(6) . . . . ?
C2 N1 C6 C5 1.4(12) . . . . ?
C2 C3 C4 C5 1.4(16) . . . . ?
C4 C3 C2 N1 -1.2(14) . . . . ?
C4 C3 C2 C1 177.6(9) . . . . ?
C27 C28 C29 O10 -2.3(14) . . . . ?
C27 C28 C29 C30 178.0(9) . . . . ?
C25 C24 C23 C22 -173.7(9) . . . . ?
C14 C13 C12 C11 0.0 . . . . ?
C14 C9 C8 N3 -15.3(10) . . . . ?
C13 C14 C9 C10 0.0 . . . . ?
C13 C14 C9 C8 -173.0(6) . . . . ?
C13 C12 C11 C10 0.0 . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C11 C10 C9 C14 0.0 . . . . ?
C11 C10 C9 C8 173.4(5) . . . . ?
C10 C9 C8 N3 171.5(6) . . . . ?
C9 C14 C13 O0AA 176.9(5) . . . . ?
C9 C14 C13 C12 0.0 . . . . ?
C24 C23 C22 O7 -6.9(14) . . . . ?
C24 C23 C22 C21 173.3(8) . . . . ?
C6 N1 C2 C3 -0.3(11) . . . . ?
C6 N1 C2 C1 -179.1(7) . . . . ?
C26 C27 C28 C29 -179.0(8) . . . . ?
C20 C19 C18 C17 -176.1(10) . . . . ?
C15 O0AA C13 C14 -173.0(6) . . . . ?
C15 O0AA C13 C12 3.7(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
