# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_a01_sq
_database_code_depnum_ccdc_archive 'CCDC 2096896'
loop_
_audit_author_name
_audit_author_address
'Yan Xu'
;Nanjing Tech University
China
;
_audit_update_record             
;
2021-07-16 deposited with the CCDC.	2021-08-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C84 H98 Eu8 N14 O54'
_chemical_formula_weight         3383.44

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'
Eu Eu -0.1578 3.6682 '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'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   14.024(8)
_cell_length_b                   15.531(9)
_cell_length_c                   15.765(9)
_cell_angle_alpha                82.000(7)
_cell_angle_beta                 86.997(7)
_cell_angle_gamma                66.851(7)
_cell_volume                     3127(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8983
_cell_measurement_theta_min      2.229
_cell_measurement_theta_max      27.131

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_F_000             1636
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    4.038
_shelx_estimated_absorpt_T_min   0.602
_shelx_estimated_absorpt_T_max   0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.602
_exptl_absorpt_correction_T_max  0.688
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21861
_diffrn_reflns_av_unetI/netI     0.0760
_diffrn_reflns_av_R_equivalents  0.0693
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.438
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_full        25.008
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             10840
_reflns_number_gt                8751
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 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.
;

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_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)+(0.0497P)²] 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         10840
_refine_ls_number_parameters     686
_refine_ls_number_restraints     43
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.1021
_refine_ls_wR_factor_gt          0.0968
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.058
_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
Eu1 Eu 0.43490(2) 0.35150(2) 0.52728(2) 0.01695(9) Uani 1 1 d . . . . .
Eu2 Eu 0.43698(3) 0.53813(2) 0.32802(2) 0.01793(9) Uani 1 1 d . . . . .
Eu3 Eu 0.61561(3) 0.66695(2) 0.23112(2) 0.01842(9) Uani 1 1 d . . . . .
Eu4 Eu 0.34224(3) 0.80289(2) 0.31485(2) 0.02024(9) Uani 1 1 d . . . . .
O1W O 0.6861(4) 0.7913(3) 0.2342(3) 0.0347(12) Uani 1 1 d D . . . .
H1WA H 0.659380 0.815995 0.270925 0.052 Uiso 1 1 d DR U . . .
H1WB H 0.652891 0.765807 0.223952 0.052 Uiso 1 1 d DR U . . .
O2W O 0.7520(4) 0.6556(4) 0.1172(3) 0.0416(14) Uani 1 1 d D . . . .
H2WA H 0.763702 0.614876 0.099848 0.062 Uiso 1 1 d DR U . . .
H2WB H 0.703375 0.670352 0.135506 0.062 Uiso 1 1 d DR U . . .
O3W O 0.2038(5) 0.9620(4) 0.2811(3) 0.0514(15) Uani 1 1 d . . . . .
H3WA H 0.159505 0.979249 0.325679 0.077 Uiso 1 1 d R U . . .
H3WB H 0.160414 0.963544 0.239479 0.077 Uiso 1 1 d R U . . .
O1 O 0.6476(4) 0.0943(4) 0.5880(3) 0.0395(13) Uani 1 1 d . . . . .
O2 O 0.3173(3) 0.5148(3) 0.4603(3) 0.0255(10) Uani 1 1 d D . . . .
H2C H 0.280132 0.558908 0.461345 0.031 Uiso 1 1 d DR U . . .
H2D H 0.309020 0.483577 0.442389 0.031 Uiso 1 1 d DR U . . .
O3 O 0.4437(3) 0.6732(3) 0.2361(2) 0.0186(9) Uani 1 1 d . . . . .
O4 O 0.5465(4) 0.2013(3) 0.4873(3) 0.0402(14) Uani 1 1 d . . . . .
O5 O 0.5235(4) 0.4060(3) 0.4194(2) 0.0281(11) Uani 1 1 d . . . . .
O6 O 0.4039(3) 0.4416(3) 0.6455(2) 0.0195(10) Uani 1 1 d . . . . .
O7 O 0.3530(4) 0.3311(4) 0.4025(3) 0.0344(12) Uani 1 1 d . . . . .
O8 O 0.4067(3) 0.6624(3) 0.4093(2) 0.0185(9) Uani 1 1 d . . . . .
O9 O 0.5275(3) 0.7568(3) 0.3409(2) 0.0217(10) Uani 1 1 d D . . . .
O10 O 0.5434(4) 0.4633(4) 0.2149(3) 0.0373(13) Uani 1 1 d . . . . .
O11 O 0.6409(4) 0.5394(4) 0.1539(3) 0.0354(13) Uani 1 1 d D . . . .
O12 O 0.5246(4) 0.7868(4) 0.1155(3) 0.0318(12) Uani 1 1 d . . . . .
O13 O 0.3953(5) 0.8791(4) 0.1906(3) 0.0436(14) Uani 1 1 d . . . . .
O14 O 0.2621(4) 0.6336(4) 0.2838(3) 0.0457(15) Uani 1 1 d . . . . .
O15 O 0.2095(4) 0.7857(4) 0.2360(3) 0.0454(14) Uani 1 1 d . . . . .
O16 O 0.2059(4) 0.8063(4) 0.4229(3) 0.0457(14) Uani 1 1 d . . . . .
O17 O 0.2511(4) 0.6830(4) 0.5268(3) 0.0360(12) Uani 1 1 d . . . . .
O18 O 0.7369(4) 0.6467(4) 0.4216(3) 0.0344(12) Uani 1 1 d . . . . .
O19 O 0.7823(4) 0.5806(4) 0.3009(3) 0.0397(13) Uani 1 1 d . . . . .
O20 O 0.3618(4) 0.4330(4) 0.2904(3) 0.0355(13) Uani 1 1 d . . . . .
N1 N 0.6086(6) -0.0988(5) 0.3757(4) 0.0495(19) Uani 1 1 d . . . . .
N2 N 0.2632(9) 0.2115(7) 0.1526(5) 0.090(3) Uani 1 1 d . . . . .
N3 N 0.6219(6) 0.3474(5) -0.0692(4) 0.0499(19) Uani 1 1 d . . . . .
N4 N 0.3432(7) 1.0665(6) -0.0982(4) 0.056(2) Uani 1 1 d . . . . .
N5 N -0.0768(7) 0.6975(8) 0.1495(5) 0.068(3) Uani 1 1 d . . . . .
N6 N -0.1052(7) 0.8942(7) 0.6112(6) 0.094(4) Uani 1 1 d . . . . .
N7 N 1.1252(5) 0.5375(5) 0.4153(4) 0.0400(16) Uani 1 1 d . . . . .
C1 C 0.6657(7) -0.1204(6) 0.4471(5) 0.045(2) Uani 1 1 d . . . . .
H1 H 0.706598 -0.183261 0.465321 0.054 Uiso 1 1 calc R U . . .
C2 C 0.6654(6) -0.0512(5) 0.4946(4) 0.0331(17) Uani 1 1 d . . . . .
H2 H 0.705078 -0.067761 0.544217 0.040 Uiso 1 1 calc R U . . .
C3 C 0.5506(8) -0.0097(7) 0.3510(4) 0.051(2) Uani 1 1 d . . . . .
H3 H 0.509590 0.004857 0.302385 0.061 Uiso 1 1 calc R U . . .
C4 C 0.5473(6) 0.0639(6) 0.3934(4) 0.0385(19) Uani 1 1 d . . . . .
H4 H 0.507116 0.126288 0.372869 0.046 Uiso 1 1 calc R U . . .
C5 C 0.6062(6) 0.0411(5) 0.4677(4) 0.0295(17) Uani 1 1 d . . . . .
C6 C 0.5986(5) 0.1198(5) 0.5180(4) 0.0249(15) Uani 1 1 d . . . . .
C7 C 0.2720(9) 0.1843(7) 0.2367(6) 0.070(3) Uani 1 1 d . . . . .
H7 H 0.262325 0.129383 0.257939 0.084 Uiso 1 1 calc R U . . .
C8 C 0.2945(7) 0.2328(6) 0.2939(5) 0.045(2) Uani 1 1 d . . . . .
H8 H 0.294883 0.213260 0.352446 0.054 Uiso 1 1 calc R U . . .
C9 C 0.2831(9) 0.2883(8) 0.1244(7) 0.072(3) Uani 1 1 d . U . . .
H9 H 0.277749 0.309176 0.065930 0.086 Uiso 1 1 calc R U . . .
C10 C 0.3110(8) 0.3376(7) 0.1774(5) 0.061(3) Uani 1 1 d . . . . .
H10 H 0.326120 0.389439 0.154846 0.073 Uiso 1 1 calc R U . . .
C11 C 0.3162(6) 0.3093(5) 0.2643(4) 0.0308(17) Uani 1 1 d . . . . .
C12 C 0.3467(5) 0.3638(5) 0.3237(4) 0.0260(16) Uani 1 1 d . . . . .
C13 C 0.5739(8) 0.3292(6) 0.0008(5) 0.054(3) Uani 1 1 d . . . . .
H13 H 0.541802 0.287059 -0.000285 0.065 Uiso 1 1 calc R U . . .
C14 C 0.5677(7) 0.3675(6) 0.0745(4) 0.047(2) Uani 1 1 d . . . . .
H14 H 0.534148 0.350130 0.122182 0.057 Uiso 1 1 calc R U . . .
C15 C 0.6638(7) 0.4101(7) -0.0655(5) 0.052(2) Uani 1 1 d . . . . .
H15 H 0.696349 0.426614 -0.114230 0.062 Uiso 1 1 calc R U . . .
C16 C 0.6617(6) 0.4517(6) 0.0057(4) 0.0395(19) Uani 1 1 d . . . . .
H16 H 0.694349 0.493576 0.005298 0.047 Uiso 1 1 calc R U . . .
C17 C 0.6113(5) 0.4316(5) 0.0777(4) 0.0289(16) Uani 1 1 d . . . . .
C18 C 0.5967(6) 0.4827(5) 0.1551(4) 0.0305(17) Uani 1 1 d . . . . .
C19 C 0.4146(9) 0.9841(8) -0.1034(5) 0.062(3) Uani 1 1 d . . . . .
H19 H 0.442072 0.970402 -0.157155 0.075 Uiso 1 1 calc R U . . .
C20 C 0.4534(7) 0.9141(7) -0.0340(4) 0.048(2) Uani 1 1 d . . . . .
H20 H 0.507887 0.857030 -0.040650 0.058 Uiso 1 1 calc R U . . .
C21 C 0.3027(8) 1.0830(7) -0.0218(6) 0.059(3) Uani 1 1 d . . . . .
H21 H 0.251288 1.142091 -0.016237 0.071 Uiso 1 1 calc R U . . .
C22 C 0.3327(7) 1.0171(6) 0.0504(5) 0.050(2) Uani 1 1 d . . . . .
H22 H 0.300647 1.031737 0.102592 0.060 Uiso 1 1 calc R U . . .
C23 C 0.4079(6) 0.9324(5) 0.0450(4) 0.0293(17) Uani 1 1 d . . . . .
C24 C 0.4470(6) 0.8582(5) 0.1236(4) 0.0267(16) Uani 1 1 d . . . . .
C25 C 0.0068(8) 0.6202(8) 0.1711(6) 0.060(3) Uani 1 1 d . . . . .
H25 H 0.004893 0.562145 0.165299 0.072 Uiso 1 1 calc R U . . .
C26 C 0.0968(6) 0.6213(6) 0.2017(5) 0.044(2) Uani 1 1 d . . . . .
H26 H 0.153023 0.564786 0.216509 0.053 Uiso 1 1 calc R U . . .
C27 C -0.0704(8) 0.7770(9) 0.1586(8) 0.087(4) Uani 1 1 d . . . . .
H27 H -0.128813 0.831975 0.144797 0.104 Uiso 1 1 calc R U . . .
C28 C 0.0180(7) 0.7867(7) 0.1876(6) 0.062(3) Uani 1 1 d . . . . .
H28 H 0.018661 0.845645 0.191349 0.074 Uiso 1 1 calc R U . . .
C29 C 0.1034(6) 0.7043(6) 0.2103(4) 0.0354(18) Uani 1 1 d . . . . .
C30 C 0.1988(6) 0.7097(6) 0.2456(4) 0.0355(19) Uani 1 1 d . . . . .
C31 C -0.0360(11) 0.8167(10) 0.6476(8) 0.096(4) Uani 1 1 d . U . . .
H31 H -0.052168 0.790670 0.700338 0.115 Uiso 1 1 calc R U . . .
C32 C 0.0644(9) 0.7681(8) 0.6121(6) 0.074(3) Uani 1 1 d . U . . .
H32 H 0.113006 0.713392 0.641105 0.089 Uiso 1 1 calc R U . . .
C33 C -0.0838(8) 0.9264(8) 0.5367(7) 0.078(3) Uani 1 1 d . . . . .
H33 H -0.134072 0.981453 0.509615 0.093 Uiso 1 1 calc R U . . .
C34 C 0.0088(7) 0.8857(6) 0.4927(6) 0.055(2) Uani 1 1 d . . . . .
H34 H 0.018395 0.911498 0.437641 0.066 Uiso 1 1 calc R U . . .
C35 C 0.0848(6) 0.8072(6) 0.5327(5) 0.0407(19) Uani 1 1 d . . . . .
C36 C 0.1898(6) 0.7622(6) 0.4907(5) 0.0341(18) Uani 1 1 d . . . . .
C37 C 1.0537(7) 0.6208(6) 0.4196(5) 0.047(2) Uani 1 1 d D . . . .
H37 H 1.075164 0.667174 0.432235 0.056 Uiso 1 1 calc R U . . .
C38 C 0.9480(6) 0.6474(6) 0.4072(5) 0.044(2) Uani 1 1 d D U . . .
H38 H 0.901156 0.708208 0.413576 0.053 Uiso 1 1 calc R U . . .
C39 C 1.0916(6) 0.4734(6) 0.3968(5) 0.049(2) Uani 1 1 d D . . . .
H39 H 1.139838 0.411898 0.395537 0.058 Uiso 1 1 calc R U . . .
C40 C 0.9888(6) 0.4927(6) 0.3791(5) 0.0415(19) Uani 1 1 d D . . . .
H40 H 0.970115 0.445982 0.363263 0.050 Uiso 1 1 calc R U . . .
C41 C 0.9149(5) 0.5815(5) 0.3854(4) 0.0274(16) Uani 1 1 d D . . . .
C42 C 0.8027(6) 0.6040(5) 0.3694(4) 0.0289(16) 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
Eu1 O5 2.315(4) . ?
Eu1 O4 2.393(5) . ?
Eu1 O6 2.404(4) . ?
Eu1 O8 2.404(4) 2_666 ?
Eu1 O9 2.423(4) 2_666 ?
Eu1 O7 2.446(4) . ?
Eu1 O18 2.490(5) 2_666 ?
Eu1 O2 2.533(5) . ?
Eu1 Eu3 3.829(2) 2_666 ?
Eu1 Eu4 3.8696(15) 2_666 ?
Eu1 Eu2 3.9128(14) 2_666 ?
Eu1 H2D 2.3983 . ?
Eu2 O5 2.271(5) . ?
Eu2 O8 2.352(4) . ?
Eu2 O10 2.385(4) . ?
Eu2 O14 2.395(5) . ?
Eu2 O3 2.409(4) . ?
Eu2 O20 2.412(5) . ?
Eu2 O6 2.438(4) 2_666 ?
Eu2 O2 2.683(4) . ?
Eu2 H2D 2.7606 . ?
Eu3 O9 2.358(4) . ?
Eu3 O11 2.368(5) . ?
Eu3 O3 2.372(5) . ?
Eu3 O12 2.418(4) . ?
Eu3 O19 2.422(5) . ?
Eu3 O6 2.468(4) 2_666 ?
Eu3 O1W 2.499(5) . ?
Eu3 O2W 2.526(5) . ?
Eu3 H1WA 2.7733 . ?
Eu3 H1WB 1.7945 . ?
Eu3 H2WA 2.8188 . ?
Eu3 H2WB 1.9038 . ?
Eu4 O8 2.341(4) . ?
Eu4 O13 2.384(5) . ?
Eu4 O1 2.408(5) 2_666 ?
Eu4 O15 2.409(5) . ?
Eu4 O3 2.425(4) . ?
Eu4 O9 2.449(5) . ?
Eu4 O3W 2.476(5) . ?
Eu4 O16 2.483(5) . ?
O1W H1WA 0.7402 . ?
O1W H1WB 0.7554 . ?
O2W H2WA 0.6802 . ?
O2W H2WB 0.6898 . ?
O3W H3WA 0.9100 . ?
O3W H3WB 0.9095 . ?
O1 C6 1.262(8) . ?
O2 H2C 0.6799 . ?
O2 H2D 0.6447 . ?
O4 C6 1.228(8) . ?
O7 C12 1.268(8) . ?
O10 C18 1.250(8) . ?
O11 C18 1.258(8) . ?
O12 C24 1.228(8) . ?
O13 C24 1.255(8) . ?
O14 C30 1.257(9) . ?
O15 C30 1.235(9) . ?
O16 C36 1.248(9) . ?
O17 C36 1.265(9) . ?
O18 C42 1.248(8) . ?
O19 C42 1.266(8) . ?
O20 C12 1.219(8) . ?
N1 C3 1.314(11) . ?
N1 C1 1.341(10) . ?
N2 C7 1.332(11) . ?
N2 C9 1.340(12) . ?
N3 C13 1.317(10) . ?
N3 C15 1.329(11) . ?
N4 C19 1.289(12) . ?
N4 C21 1.318(11) . ?
N5 C27 1.300(14) . ?
N5 C25 1.325(12) . ?
N6 C33 1.280(12) . ?
N6 C31 1.291(15) . ?
N7 C37 1.297(10) . ?
N7 C39 1.328(10) . ?
C1 C2 1.391(10) . ?
C1 H1 0.9300 . ?
C2 C5 1.362(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.386(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.391(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.515(9) . ?
C7 C8 1.373(11) . ?
C7 H7 0.9300 . ?
C8 C11 1.356(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.374(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.377(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.525(9) . ?
C13 C14 1.362(10) . ?
C13 H13 0.9300 . ?
C14 C17 1.365(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.364(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.371(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.509(9) . ?
C19 C20 1.393(12) . ?
C19 H19 0.9300 . ?
C20 C23 1.383(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.381(11) . ?
C21 H21 0.9300 . ?
C22 C23 1.335(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.530(9) . ?
C25 C26 1.381(12) . ?
C25 H25 0.9300 . ?
C26 C29 1.354(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.412(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.383(12) . ?
C28 H28 0.9300 . ?
C29 C30 1.512(10) . ?
C31 C32 1.437(16) . ?
C31 H31 0.9300 . ?
C32 C35 1.380(12) . ?
C32 H32 0.9300 . ?
C33 C34 1.397(12) . ?
C33 H33 0.9300 . ?
C34 C35 1.362(12) . ?
C34 H34 0.9300 . ?
C35 C36 1.521(10) . ?
C37 C38 1.391(10) . ?
C37 H37 0.9300 . ?
C38 C41 1.368(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.387(10) . ?
C39 H39 0.9300 . ?
C40 C41 1.375(9) . ?
C40 H40 0.9300 . ?
C41 C42 1.498(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Eu1 O4 82.53(17) . . ?
O5 Eu1 O6 110.39(16) . . ?
O4 Eu1 O6 140.20(16) . . ?
O5 Eu1 O8 73.88(15) . 2_666 ?
O4 Eu1 O8 81.18(17) . 2_666 ?
O6 Eu1 O8 67.76(14) . 2_666 ?
O5 Eu1 O9 138.77(16) . 2_666 ?
O4 Eu1 O9 74.52(15) . 2_666 ?
O6 Eu1 O9 71.58(15) . 2_666 ?
O8 Eu1 O9 69.15(14) 2_666 2_666 ?
O5 Eu1 O7 80.52(16) . . ?
O4 Eu1 O7 74.30(18) . . ?
O6 Eu1 O7 143.36(16) . . ?
O8 Eu1 O7 146.49(15) 2_666 . ?
O9 Eu1 O7 123.58(15) 2_666 . ?
O5 Eu1 O18 145.87(16) . 2_666 ?
O4 Eu1 O18 112.05(18) . 2_666 ?
O6 Eu1 O18 78.71(15) . 2_666 ?
O8 Eu1 O18 136.94(14) 2_666 2_666 ?
O9 Eu1 O18 75.26(15) 2_666 2_666 ?
O7 Eu1 O18 74.65(16) . 2_666 ?
O5 Eu1 O2 70.68(15) . . ?
O4 Eu1 O2 140.44(15) . . ?
O6 Eu1 O2 77.93(14) . . ?
O8 Eu1 O2 116.68(14) 2_666 . ?
O9 Eu1 O2 143.64(14) 2_666 . ?
O7 Eu1 O2 73.01(16) . . ?
O18 Eu1 O2 79.82(15) 2_666 . ?
O5 Eu1 Eu3 143.76(11) . 2_666 ?
O4 Eu1 Eu3 110.73(11) . 2_666 ?
O6 Eu1 Eu3 38.80(10) . 2_666 ?
O8 Eu1 Eu3 75.14(9) 2_666 2_666 ?
O9 Eu1 Eu3 36.21(10) 2_666 2_666 ?
O7 Eu1 Eu3 134.94(12) . 2_666 ?
O18 Eu1 Eu3 61.81(11) 2_666 2_666 ?
O2 Eu1 Eu3 108.04(9) . 2_666 ?
O5 Eu1 Eu4 101.38(12) . 2_666 ?
O4 Eu1 Eu4 63.86(13) . 2_666 ?
O6 Eu1 Eu4 76.55(11) . 2_666 ?
O8 Eu1 Eu4 34.83(10) 2_666 2_666 ?
O9 Eu1 Eu4 37.65(10) 2_666 2_666 ?
O7 Eu1 Eu4 137.29(13) . 2_666 ?
O18 Eu1 Eu4 112.74(12) 2_666 2_666 ?
O2 Eu1 Eu4 148.40(9) . 2_666 ?
Eu3 Eu1 Eu4 59.91(3) 2_666 2_666 ?
O5 Eu1 Eu2 83.09(12) . 2_666 ?
O4 Eu1 Eu2 115.17(14) . 2_666 ?
O6 Eu1 Eu2 36.38(10) . 2_666 ?
O8 Eu1 Eu2 34.21(10) 2_666 2_666 ?
O9 Eu1 Eu2 76.62(10) 2_666 2_666 ?
O7 Eu1 Eu2 159.80(11) . 2_666 ?
O18 Eu1 Eu2 114.58(11) 2_666 2_666 ?
O2 Eu1 Eu2 90.48(10) . 2_666 ?
Eu3 Eu1 Eu2 60.68(3) 2_666 2_666 ?
Eu4 Eu1 Eu2 57.95(4) 2_666 2_666 ?
O5 Eu1 H2D 72.6 . . ?
O4 Eu1 H2D 129.1 . . ?
O6 Eu1 H2D 90.5 . . ?
O8 Eu1 H2D 129.7 2_666 . ?
O9 Eu1 H2D 147.4 2_666 . ?
O7 Eu1 H2D 58.5 . . ?
O18 Eu1 H2D 74.6 2_666 . ?
O2 Eu1 H2D 14.7 . . ?
Eu3 Eu1 H2D 115.6 2_666 . ?
Eu4 Eu1 H2D 163.0 2_666 . ?
Eu2 Eu1 H2D 105.2 2_666 . ?
O5 Eu2 O8 104.06(16) . . ?
O5 Eu2 O10 88.47(17) . . ?
O8 Eu2 O10 141.33(16) . . ?
O5 Eu2 O14 138.44(17) . . ?
O8 Eu2 O14 81.52(18) . . ?
O10 Eu2 O14 112.98(19) . . ?
O5 Eu2 O3 147.27(16) . . ?
O8 Eu2 O3 70.43(14) . . ?
O10 Eu2 O3 79.32(16) . . ?
O14 Eu2 O3 73.87(17) . . ?
O5 Eu2 O20 79.33(17) . . ?
O8 Eu2 O20 142.43(17) . . ?
O10 Eu2 O20 75.33(18) . . ?
O14 Eu2 O20 73.0(2) . . ?
O3 Eu2 O20 125.36(15) . . ?
O5 Eu2 O6 78.00(16) . 2_666 ?
O8 Eu2 O6 68.03(14) . 2_666 ?
O10 Eu2 O6 79.47(16) . 2_666 ?
O14 Eu2 O6 138.63(18) . 2_666 ?
O3 Eu2 O6 69.99(14) . 2_666 ?
O20 Eu2 O6 146.32(17) . 2_666 ?
O5 Eu2 O2 68.54(15) . . ?
O8 Eu2 O2 73.32(14) . . ?
O10 Eu2 O2 143.98(15) . . ?
O14 Eu2 O2 74.15(16) . . ?
O3 Eu2 O2 134.32(14) . . ?
O20 Eu2 O2 73.44(15) . . ?
O6 Eu2 O2 119.65(13) 2_666 . ?
O5 Eu2 Eu1 81.67(12) . 2_666 ?
O8 Eu2 Eu1 35.08(10) . 2_666 ?
O10 Eu2 Eu1 115.22(13) . 2_666 ?
O14 Eu2 Eu1 116.07(15) . 2_666 ?
O3 Eu2 Eu1 76.50(10) . 2_666 ?
O20 Eu2 Eu1 158.01(11) . 2_666 ?
O6 Eu2 Eu1 35.80(9) 2_666 2_666 ?
O2 Eu2 Eu1 89.37(10) . 2_666 ?
O5 Eu2 H2D 66.5 . . ?
O8 Eu2 H2D 86.6 . . ?
O10 Eu2 H2D 131.4 . . ?
O14 Eu2 H2D 72.9 . . ?
O3 Eu2 H2D 141.8 . . ?
O20 Eu2 H2D 60.0 . . ?
O6 Eu2 H2D 129.5 2_666 . ?
O2 Eu2 H2D 13.5 . . ?
Eu1 Eu2 H2D 102.1 2_666 . ?
O9 Eu3 O11 148.38(15) . . ?
O9 Eu3 O3 72.33(14) . . ?
O11 Eu3 O3 81.16(15) . . ?
O9 Eu3 O12 94.90(16) . . ?
O11 Eu3 O12 94.36(18) . . ?
O3 Eu3 O12 74.62(15) . . ?
O9 Eu3 O19 98.96(16) . . ?
O11 Eu3 O19 90.65(18) . . ?
O3 Eu3 O19 140.73(15) . . ?
O12 Eu3 O19 144.57(17) . . ?
O9 Eu3 O6 71.53(15) . 2_666 ?
O11 Eu3 O6 83.57(15) . 2_666 ?
O3 Eu3 O6 70.06(14) . 2_666 ?
O12 Eu3 O6 144.53(15) . 2_666 ?
O19 Eu3 O6 70.89(15) . 2_666 ?
O9 Eu3 O1W 73.00(15) . . ?
O11 Eu3 O1W 138.62(16) . . ?
O3 Eu3 O1W 131.99(16) . . ?
O12 Eu3 O1W 76.36(16) . . ?
O19 Eu3 O1W 76.83(18) . . ?
O6 Eu3 O1W 126.64(14) 2_666 . ?
O9 Eu3 O2W 141.89(15) . . ?
O11 Eu3 O2W 69.73(16) . . ?
O3 Eu3 O2W 136.16(14) . . ?
O12 Eu3 O2W 75.69(17) . . ?
O19 Eu3 O2W 73.29(16) . . ?
O6 Eu3 O2W 134.55(16) 2_666 . ?
O1W Eu3 O2W 68.90(15) . . ?
O9 Eu3 Eu1 37.36(10) . 2_666 ?
O11 Eu3 Eu1 121.18(12) . 2_666 ?
O3 Eu3 Eu1 78.63(9) . 2_666 ?
O12 Eu3 Eu1 130.98(12) . 2_666 ?
O19 Eu3 Eu1 73.07(11) . 2_666 ?
O6 Eu3 Eu1 37.60(9) 2_666 2_666 ?
O1W Eu3 Eu1 92.99(10) . 2_666 ?
O2W Eu3 Eu1 144.63(11) . 2_666 ?
O9 Eu3 H1WA 58.0 . . ?
O11 Eu3 H1WA 153.6 . . ?
O3 Eu3 H1WA 121.3 . . ?
O12 Eu3 H1WA 80.2 . . ?
O19 Eu3 H1WA 79.9 . . ?
O6 Eu3 H1WA 115.7 2_666 . ?
O1W Eu3 H1WA 15.0 . . ?
O2W Eu3 H1WA 83.9 . . ?
Eu1 Eu3 H1WA 79.8 2_666 . ?
O9 Eu3 H1WB 72.9 . . ?
O11 Eu3 H1WB 138.4 . . ?
O3 Eu3 H1WB 126.4 . . ?
O12 Eu3 H1WB 69.1 . . ?
O19 Eu3 H1WB 84.1 . . ?
O6 Eu3 H1WB 132.0 2_666 . ?
O1W Eu3 H1WB 7.4 . . ?
O2W Eu3 H1WB 69.2 . . ?
Eu1 Eu3 H1WB 96.7 2_666 . ?
H1WA Eu3 H1WB 16.9 . . ?
O9 Eu3 H2WA 154.9 . . ?
O11 Eu3 H2WA 56.7 . . ?
O3 Eu3 H2WA 128.6 . . ?
O12 Eu3 H2WA 80.3 . . ?
O19 Eu3 H2WA 73.4 . . ?
O6 Eu3 H2WA 125.2 2_666 . ?
O1W Eu3 H2WA 81.9 . . ?
O2W Eu3 H2WA 13.2 . . ?
Eu1 Eu3 H2WA 146.4 2_666 . ?
H1WA Eu3 H2WA 96.9 . . ?
H1WB Eu3 H2WA 82.4 . . ?
O9 Eu3 H2WB 140.8 . . ?
O11 Eu3 H2WB 70.3 . . ?
O3 Eu3 H2WB 130.1 . . ?
O12 Eu3 H2WB 68.0 . . ?
O19 Eu3 H2WB 81.0 . . ?
O6 Eu3 H2WB 141.2 2_666 . ?
O1W Eu3 H2WB 68.8 . . ?
O2W Eu3 H2WB 7.8 . . ?
Eu1 Eu3 H2WB 151.3 2_666 . ?
H1WA Eu3 H2WB 83.7 . . ?
H1WB Eu3 H2WB 68.0 . . ?
H2WA Eu3 H2WB 16.6 . . ?
O8 Eu4 O13 139.39(17) . . ?
O8 Eu4 O1 96.96(16) . 2_666 ?
O13 Eu4 O1 96.09(18) . 2_666 ?
O8 Eu4 O15 103.62(17) . . ?
O13 Eu4 O15 92.00(19) . . ?
O1 Eu4 O15 137.38(19) 2_666 . ?
O8 Eu4 O3 70.33(14) . . ?
O13 Eu4 O3 76.71(16) . . ?
O1 Eu4 O3 144.19(16) 2_666 . ?
O15 Eu4 O3 78.35(17) . . ?
O8 Eu4 O9 69.71(14) . . ?
O13 Eu4 O9 77.21(17) . . ?
O1 Eu4 O9 74.30(16) 2_666 . ?
O15 Eu4 O9 148.00(16) . . ?
O3 Eu4 O9 69.90(14) . . ?
O8 Eu4 O3W 147.71(16) . . ?
O13 Eu4 O3W 72.66(19) . . ?
O1 Eu4 O3W 70.15(19) 2_666 . ?
O15 Eu4 O3W 72.6(2) . . ?
O3 Eu4 O3W 136.45(16) . . ?
O9 Eu4 O3W 129.80(18) . . ?
O8 Eu4 O16 72.20(17) . . ?
O13 Eu4 O16 148.41(19) . . ?
O1 Eu4 O16 75.74(19) 2_666 . ?
O15 Eu4 O16 75.72(19) . . ?
O3 Eu4 O16 127.11(16) . . ?
O9 Eu4 O16 127.34(16) . . ?
O3W Eu4 O16 75.88(19) . . ?
O8 Eu4 Eu1 35.91(10) . 2_666 ?
O13 Eu4 Eu1 114.28(15) . 2_666 ?
O1 Eu4 Eu1 74.02(13) 2_666 2_666 ?
O15 Eu4 Eu1 138.35(14) . 2_666 ?
O3 Eu4 Eu1 77.25(10) . 2_666 ?
O9 Eu4 Eu1 37.17(9) . 2_666 ?
O3W Eu4 Eu1 144.08(13) . 2_666 ?
O16 Eu4 Eu1 93.08(14) . 2_666 ?
Eu3 O1W H1WA 104.1 . . ?
Eu3 O1W H1WB 17.9 . . ?
H1WA O1W H1WB 103.9 . . ?
Eu3 O2W H2WA 108.7 . . ?
Eu3 O2W H2WB 22.0 . . ?
H2WA O2W H2WB 111.7 . . ?
Eu4 O3W H3WA 112.3 . . ?
Eu4 O3W H3WB 111.8 . . ?
H3WA O3W H3WB 101.8 . . ?
C6 O1 Eu4 126.0(5) . 2_666 ?
Eu1 O2 Eu2 99.23(15) . . ?
Eu1 O2 H2C 154.0 . . ?
Eu2 O2 H2C 103.4 . . ?
Eu1 O2 H2D 70.7 . . ?
Eu2 O2 H2D 90.1 . . ?
H2C O2 H2D 121.4 . . ?
Eu3 O3 Eu2 109.80(16) . . ?
Eu3 O3 Eu4 106.53(16) . . ?
Eu2 O3 Eu4 102.52(14) . . ?
C6 O4 Eu1 141.9(4) . . ?
Eu2 O5 Eu1 120.1(2) . . ?
Eu1 O6 Eu2 107.82(16) . 2_666 ?
Eu1 O6 Eu3 103.60(16) . 2_666 ?
Eu2 O6 Eu3 105.74(15) 2_666 2_666 ?
C12 O7 Eu1 134.2(4) . . ?
Eu4 O8 Eu2 106.90(15) . . ?
Eu4 O8 Eu1 109.27(16) . 2_666 ?
Eu2 O8 Eu1 110.71(17) . 2_666 ?
Eu3 O9 Eu1 106.43(17) . 2_666 ?
Eu3 O9 Eu4 106.18(15) . . ?
Eu1 O9 Eu4 105.18(15) 2_666 . ?
C18 O10 Eu2 138.0(4) . . ?
C18 O11 Eu3 133.3(4) . . ?
C24 O12 Eu3 125.3(4) . . ?
C24 O13 Eu4 139.2(5) . . ?
C30 O14 Eu2 148.4(5) . . ?
C30 O15 Eu4 119.8(5) . . ?
C36 O16 Eu4 142.1(5) . . ?
C42 O18 Eu1 135.1(4) . 2_666 ?
C42 O19 Eu3 120.5(5) . . ?
C12 O20 Eu2 138.3(4) . . ?
C3 N1 C1 118.4(7) . . ?
C7 N2 C9 116.1(8) . . ?
C13 N3 C15 115.4(6) . . ?
C19 N4 C21 116.6(7) . . ?
C27 N5 C25 116.0(9) . . ?
C33 N6 C31 117.1(10) . . ?
C37 N7 C39 115.1(7) . . ?
N1 C1 C2 121.8(8) . . ?
N1 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
C5 C2 C1 119.2(7) . . ?
C5 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
N1 C3 C4 123.6(8) . . ?
N1 C3 H3 118.2 . . ?
C4 C3 H3 118.2 . . ?
C3 C4 C5 117.8(8) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 H4 121.1 . . ?
C2 C5 C4 119.2(6) . . ?
C2 C5 C6 122.2(6) . . ?
C4 C5 C6 118.6(7) . . ?
O4 C6 O1 126.5(6) . . ?
O4 C6 C5 117.7(6) . . ?
O1 C6 C5 115.8(6) . . ?
N2 C7 C8 123.7(9) . . ?
N2 C7 H7 118.2 . . ?
C8 C7 H7 118.2 . . ?
C11 C8 C7 119.4(7) . . ?
C11 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
N2 C9 C10 123.4(9) . . ?
N2 C9 H9 118.3 . . ?
C10 C9 H9 118.3 . . ?
C9 C10 C11 119.0(8) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 H10 120.5 . . ?
C8 C11 C10 118.2(7) . . ?
C8 C11 C12 122.3(6) . . ?
C10 C11 C12 119.4(7) . . ?
O20 C12 O7 127.9(6) . . ?
O20 C12 C11 116.8(6) . . ?
O7 C12 C11 115.3(6) . . ?
N3 C13 C14 124.8(7) . . ?
N3 C13 H13 117.6 . . ?
C14 C13 H13 117.6 . . ?
C13 C14 C17 119.3(7) . . ?
C13 C14 H14 120.3 . . ?
C17 C14 H14 120.3 . . ?
N3 C15 C16 123.7(8) . . ?
N3 C15 H15 118.1 . . ?
C16 C15 H15 118.1 . . ?
C15 C16 C17 119.7(7) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C14 C17 C16 117.0(6) . . ?
C14 C17 C18 120.7(6) . . ?
C16 C17 C18 122.2(7) . . ?
O10 C18 O11 126.3(6) . . ?
O10 C18 C17 116.8(6) . . ?
O11 C18 C17 116.9(6) . . ?
N4 C19 C20 124.6(8) . . ?
N4 C19 H19 117.7 . . ?
C20 C19 H19 117.7 . . ?
C23 C20 C19 117.6(9) . . ?
C23 C20 H20 121.2 . . ?
C19 C20 H20 121.2 . . ?
N4 C21 C22 123.4(9) . . ?
N4 C21 H21 118.3 . . ?
C22 C21 H21 118.3 . . ?
C23 C22 C21 119.9(8) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C20 117.9(7) . . ?
C22 C23 C24 122.0(6) . . ?
C20 C23 C24 120.1(7) . . ?
O12 C24 O13 127.3(6) . . ?
O12 C24 C23 117.9(6) . . ?
O13 C24 C23 114.8(7) . . ?
N5 C25 C26 123.5(10) . . ?
N5 C25 H25 118.3 . . ?
C26 C25 H25 118.3 . . ?
C29 C26 C25 120.3(9) . . ?
C29 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
N5 C27 C28 125.4(11) . . ?
N5 C27 H27 117.3 . . ?
C28 C27 H27 117.3 . . ?
C29 C28 C27 116.9(9) . . ?
C29 C28 H28 121.6 . . ?
C27 C28 H28 121.6 . . ?
C26 C29 C28 118.0(7) . . ?
C26 C29 C30 122.6(8) . . ?
C28 C29 C30 119.4(8) . . ?
O15 C30 O14 124.9(7) . . ?
O15 C30 C29 119.7(7) . . ?
O14 C30 C29 115.4(7) . . ?
N6 C31 C32 124.3(12) . . ?
N6 C31 H31 117.8 . . ?
C32 C31 H31 117.8 . . ?
C35 C32 C31 116.3(11) . . ?
C35 C32 H32 121.8 . . ?
C31 C32 H32 121.8 . . ?
N6 C33 C34 125.3(10) . . ?
N6 C33 H33 117.4 . . ?
C34 C33 H33 117.4 . . ?
C35 C34 C33 118.1(8) . . ?
C35 C34 H34 120.9 . . ?
C33 C34 H34 120.9 . . ?
C34 C35 C32 118.7(8) . . ?
C34 C35 C36 121.1(7) . . ?
C32 C35 C36 120.2(8) . . ?
O16 C36 O17 126.5(7) . . ?
O16 C36 C35 116.5(7) . . ?
O17 C36 C35 117.0(7) . . ?
N7 C37 C38 126.2(8) . . ?
N7 C37 H37 116.9 . . ?
C38 C37 H37 116.9 . . ?
C41 C38 C37 118.0(8) . . ?
C41 C38 H38 121.0 . . ?
C37 C38 H38 121.0 . . ?
N7 C39 C40 123.8(8) . . ?
N7 C39 H39 118.1 . . ?
C40 C39 H39 118.1 . . ?
C41 C40 C39 119.4(7) . . ?
C41 C40 H40 120.3 . . ?
C39 C40 H40 120.3 . . ?
C38 C41 C40 117.3(7) . . ?
C38 C41 C42 121.9(7) . . ?
C40 C41 C42 120.8(6) . . ?
O18 C42 O19 125.1(7) . . ?
O18 C42 C41 118.8(6) . . ?
O19 C42 C41 116.0(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
C3 N1 C1 C2 -0.4(12) . . . . ?
N1 C1 C2 C5 -0.6(12) . . . . ?
C1 N1 C3 C4 1.8(13) . . . . ?
N1 C3 C4 C5 -2.2(13) . . . . ?
C1 C2 C5 C4 0.2(11) . . . . ?
C1 C2 C5 C6 177.4(7) . . . . ?
C3 C4 C5 C2 1.1(11) . . . . ?
C3 C4 C5 C6 -176.3(7) . . . . ?
Eu1 O4 C6 O1 -34.5(13) . . . . ?
Eu1 O4 C6 C5 145.8(6) . . . . ?
Eu4 O1 C6 O4 -0.8(10) 2_666 . . . ?
Eu4 O1 C6 C5 178.8(4) 2_666 . . . ?
C2 C5 C6 O4 177.4(7) . . . . ?
C4 C5 C6 O4 -5.4(10) . . . . ?
C2 C5 C6 O1 -2.4(10) . . . . ?
C4 C5 C6 O1 174.9(7) . . . . ?
C9 N2 C7 C8 3.4(18) . . . . ?
N2 C7 C8 C11 -4.6(17) . . . . ?
C7 N2 C9 C10 -0.1(19) . . . . ?
N2 C9 C10 C11 -1.9(18) . . . . ?
C7 C8 C11 C10 2.4(14) . . . . ?
C7 C8 C11 C12 -177.1(9) . . . . ?
C9 C10 C11 C8 0.7(15) . . . . ?
C9 C10 C11 C12 -179.8(9) . . . . ?
Eu2 O20 C12 O7 13.5(13) . . . . ?
Eu2 O20 C12 C11 -166.7(5) . . . . ?
Eu1 O7 C12 O20 -18.1(12) . . . . ?
Eu1 O7 C12 C11 162.1(5) . . . . ?
C8 C11 C12 O20 -178.1(8) . . . . ?
C10 C11 C12 O20 2.5(11) . . . . ?
C8 C11 C12 O7 1.8(11) . . . . ?
C10 C11 C12 O7 -177.7(8) . . . . ?
C15 N3 C13 C14 -2.0(15) . . . . ?
N3 C13 C14 C17 1.8(16) . . . . ?
C13 N3 C15 C16 2.2(14) . . . . ?
N3 C15 C16 C17 -2.2(14) . . . . ?
C13 C14 C17 C16 -1.6(13) . . . . ?
C13 C14 C17 C18 173.8(8) . . . . ?
C15 C16 C17 C14 1.9(12) . . . . ?
C15 C16 C17 C18 -173.5(8) . . . . ?
Eu2 O10 C18 O11 28.2(13) . . . . ?
Eu2 O10 C18 C17 -153.2(5) . . . . ?
Eu3 O11 C18 O10 -20.7(12) . . . . ?
Eu3 O11 C18 C17 160.7(5) . . . . ?
C14 C17 C18 O10 -0.1(11) . . . . ?
C16 C17 C18 O10 175.2(7) . . . . ?
C14 C17 C18 O11 178.7(8) . . . . ?
C16 C17 C18 O11 -6.1(11) . . . . ?
C21 N4 C19 C20 -2.4(15) . . . . ?
N4 C19 C20 C23 3.9(15) . . . . ?
C19 N4 C21 C22 -0.3(14) . . . . ?
N4 C21 C22 C23 1.5(15) . . . . ?
C21 C22 C23 C20 0.1(13) . . . . ?
C21 C22 C23 C24 177.7(8) . . . . ?
C19 C20 C23 C22 -2.5(12) . . . . ?
C19 C20 C23 C24 179.9(8) . . . . ?
Eu3 O12 C24 O13 -6.3(10) . . . . ?
Eu3 O12 C24 C23 172.3(4) . . . . ?
Eu4 O13 C24 O12 -35.2(12) . . . . ?
Eu4 O13 C24 C23 146.1(6) . . . . ?
C22 C23 C24 O12 -171.1(7) . . . . ?
C20 C23 C24 O12 6.4(10) . . . . ?
C22 C23 C24 O13 7.7(10) . . . . ?
C20 C23 C24 O13 -174.8(7) . . . . ?
C27 N5 C25 C26 0.1(15) . . . . ?
N5 C25 C26 C29 -0.7(14) . . . . ?
C25 N5 C27 C28 1.2(18) . . . . ?
N5 C27 C28 C29 -1.8(18) . . . . ?
C25 C26 C29 C28 0.1(12) . . . . ?
C25 C26 C29 C30 178.4(7) . . . . ?
C27 C28 C29 C26 1.1(13) . . . . ?
C27 C28 C29 C30 -177.3(8) . . . . ?
Eu4 O15 C30 O14 -11.7(10) . . . . ?
Eu4 O15 C30 C29 168.0(4) . . . . ?
Eu2 O14 C30 O15 -26.5(14) . . . . ?
Eu2 O14 C30 C29 153.8(7) . . . . ?
C26 C29 C30 O15 165.3(7) . . . . ?
C28 C29 C30 O15 -16.5(11) . . . . ?
C26 C29 C30 O14 -15.1(10) . . . . ?
C28 C29 C30 O14 163.2(7) . . . . ?
C33 N6 C31 C32 4(2) . . . . ?
N6 C31 C32 C35 -1.8(19) . . . . ?
C31 N6 C33 C34 -1(2) . . . . ?
N6 C33 C34 C35 -2.5(18) . . . . ?
C33 C34 C35 C32 4.1(14) . . . . ?
C33 C34 C35 C36 -176.7(9) . . . . ?
C31 C32 C35 C34 -2.2(14) . . . . ?
C31 C32 C35 C36 178.6(9) . . . . ?
Eu4 O16 C36 O17 -6.4(14) . . . . ?
Eu4 O16 C36 C35 175.3(5) . . . . ?
C34 C35 C36 O16 7.4(12) . . . . ?
C32 C35 C36 O16 -173.4(8) . . . . ?
C34 C35 C36 O17 -171.1(8) . . . . ?
C32 C35 C36 O17 8.1(11) . . . . ?
C39 N7 C37 C38 0.3(12) . . . . ?
N7 C37 C38 C41 -2.5(12) . . . . ?
C37 N7 C39 C40 2.9(12) . . . . ?
N7 C39 C40 C41 -3.8(12) . . . . ?
C37 C38 C41 C40 1.4(10) . . . . ?
C37 C38 C41 C42 -179.1(7) . . . . ?
C39 C40 C41 C38 1.4(10) . . . . ?
C39 C40 C41 C42 -178.1(7) . . . . ?
Eu1 O18 C42 O19 34.0(11) 2_666 . . . ?
Eu1 O18 C42 C41 -149.0(5) 2_666 . . . ?
Eu3 O19 C42 O18 25.0(9) . . . . ?
Eu3 O19 C42 C41 -152.2(5) . . . . ?
C38 C41 C42 O18 -46.8(9) . . . . ?
C40 C41 C42 O18 132.7(7) . . . . ?
C38 C41 C42 O19 130.5(7) . . . . ?
C40 C41 C42 O19 -50.0(9) . . . . ?

_refine_diff_density_max         2.138
_refine_diff_density_min         -1.933
_refine_diff_density_rms         0.172



####################################################################### 
# 
# 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_Gd
_database_code_depnum_ccdc_archive 'CCDC 2096897'
loop_
_audit_author_name
_audit_author_address
'Yan Xu'
;Nanjing Tech University
China
;
_audit_update_record             
;
2021-07-16 deposited with the CCDC.	2021-08-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C84 H104 Gd8 N14 O57'
_chemical_formula_weight         3479.81

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'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.915(4)
_cell_length_b                   15.484(4)
_cell_length_c                   15.682(5)
_cell_angle_alpha                81.864(3)
_cell_angle_beta                 86.932(3)
_cell_angle_gamma                67.514(3)
_cell_volume                     3090.7(15)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4786
_cell_measurement_theta_min      2.249
_cell_measurement_theta_max      29.199

_exptl_crystal_description       bulk
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.870
_exptl_crystal_F_000             1674
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    4.321
_shelx_estimated_absorpt_T_min   0.625
_shelx_estimated_absorpt_T_max   0.625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.625
_exptl_absorpt_correction_T_max  0.625
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20139
_diffrn_reflns_av_unetI/netI     0.1025
_diffrn_reflns_av_R_equivalents  0.0836
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.312
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.010
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.984
_reflns_number_total             10746
_reflns_number_gt                7315
_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.
 
 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.
;

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_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)+(0.0715P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10746
_refine_ls_number_parameters     715
_refine_ls_number_restraints     83
_refine_ls_R_factor_all          0.0909
_refine_ls_R_factor_gt           0.0559
_refine_ls_wR_factor_ref         0.1454
_refine_ls_wR_factor_gt          0.1335
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.011
_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
Gd1 Gd 0.43510(4) 0.35133(4) 0.52793(3) 0.02325(14) Uani 1 1 d D . . . .
Gd4 Gd 0.61510(4) 0.66754(4) 0.23114(3) 0.02452(15) Uani 1 1 d D . . . .
Gd2 Gd 0.43417(4) 0.54032(4) 0.32928(3) 0.02359(14) Uani 1 1 d D . . . .
Gd3 Gd 0.34364(4) 0.80291(4) 0.31258(3) 0.02725(15) Uani 1 1 d D . . . .
O1 O 0.4424(6) 0.6738(5) 0.2363(4) 0.0265(16) Uani 1 1 d . . . . .
O2 O 0.5271(5) 0.7568(5) 0.3404(4) 0.0248(16) Uani 1 1 d . . . . .
O3 O 0.4050(6) 0.6645(5) 0.4100(4) 0.0296(18) Uani 1 1 d . . . . .
O4 O 0.5228(6) 0.4068(5) 0.4192(4) 0.0284(17) Uani 1 1 d . . . . .
O9 O 0.4059(5) 0.4391(5) 0.6453(4) 0.0256(16) Uani 1 1 d . . . . .
O10 O 0.5390(7) 0.4626(6) 0.2189(5) 0.044(2) Uani 1 1 d D . . . .
O11 O 0.6370(7) 0.5393(6) 0.1569(5) 0.044(2) Uani 1 1 d . . . . .
O12 O 0.3529(7) 0.3323(6) 0.4030(5) 0.040(2) Uani 1 1 d . . . . .
O13 O 0.3568(7) 0.4364(6) 0.2913(5) 0.045(2) Uani 1 1 d . . . . .
O14 O 0.2603(6) 0.6355(6) 0.2858(5) 0.045(2) Uani 1 1 d . . . . .
O15 O 0.2130(7) 0.7841(7) 0.2283(6) 0.054(2) Uani 1 1 d . . . . .
O16 O 0.2491(8) 0.6829(8) 0.5274(7) 0.070(3) Uani 1 1 d . . . . .
O17 O 0.2027(7) 0.8082(7) 0.4130(7) 0.067(3) Uani 1 1 d . . . . .
O18 O 0.4558(7) 0.7958(6) 0.5170(5) 0.039(2) Uani 1 1 d . . . . .
O19 O 0.3545(7) 0.9007(6) 0.4142(6) 0.047(2) Uani 1 1 d . . . . .
O20 O 0.7825(7) 0.5810(7) 0.3011(5) 0.053(3) Uani 1 1 d . . . . .
O21 O 0.7363(6) 0.6486(6) 0.4218(5) 0.042(2) Uani 1 1 d . . . . .
O22 O 0.5282(7) 0.7845(6) 0.1157(5) 0.040(2) Uani 1 1 d . . . . .
O23 O 0.3953(7) 0.8785(6) 0.1874(5) 0.046(2) Uani 1 1 d . . . . .
N1 N 0.6199(9) 0.3480(8) -0.0682(6) 0.059(3) Uani 1 1 d D . . . .
N2 N 0.2484(15) 0.2140(11) 0.1602(8) 0.109(6) Uani 1 1 d D U . . .
N3 N -0.0775(9) 0.6952(9) 0.1490(9) 0.079(4) Uani 1 1 d D . . . .
N4 N -0.1006(14) 0.9102(14) 0.6097(11) 0.134(8) Uani 1 1 d D . . . .
N5 N 0.3893(10) 1.0999(7) 0.6229(6) 0.062(4) Uani 1 1 d D . . . .
N6 N 0.3475(11) 1.0625(10) -0.1010(7) 0.075(4) Uani 1 1 d D . . . .
N7 N 1.1257(8) 0.5359(7) 0.4167(6) 0.046(3) Uani 1 1 d D . . . .
C1 C 0.6685(13) 0.4076(11) -0.0614(8) 0.074(5) Uani 1 1 d D . . . .
H1 H 0.705851 0.422031 -0.108359 0.089 Uiso 1 1 calc R U . . .
C2 C 0.6649(10) 0.4471(11) 0.0114(6) 0.056(4) Uani 1 1 d D . . . .
H2 H 0.701600 0.485832 0.013697 0.068 Uiso 1 1 calc R U . . .
C3 C 0.6082(8) 0.4309(7) 0.0810(6) 0.032(3) Uani 1 1 d D . . . .
C4 C 0.5580(11) 0.3720(9) 0.0735(7) 0.054(4) Uani 1 1 d D . . . .
H4 H 0.519274 0.358514 0.119904 0.065 Uiso 1 1 calc R U . . .
C5 C 0.5627(13) 0.3322(11) 0.0002(7) 0.067(5) Uani 1 1 d D . . . .
H5 H 0.525936 0.293648 -0.002677 0.080 Uiso 1 1 calc R U . . .
C6 C 0.5948(9) 0.4814(8) 0.1572(7) 0.032(3) Uani 1 1 d . . . . .
C7 C 0.2635(19) 0.2943(13) 0.1312(10) 0.115(9) Uani 1 1 d D . . . .
H7 H 0.251611 0.317734 0.073154 0.138 Uiso 1 1 calc R U . . .
C8 C 0.2949(16) 0.3427(12) 0.1818(6) 0.090(7) Uani 1 1 d D . . . .
H8 H 0.305990 0.396622 0.158019 0.108 Uiso 1 1 calc R U . . .
C9 C 0.3101(10) 0.3121(8) 0.2674(6) 0.038(3) Uani 1 1 d D . . . .
C10 C 0.2916(12) 0.2332(8) 0.2987(8) 0.060(4) Uani 1 1 d D . . . .
H10 H 0.300590 0.211174 0.357224 0.072 Uiso 1 1 calc R U . . .
C11 C 0.2603(17) 0.1861(13) 0.2463(8) 0.093(7) Uani 1 1 d D . . . .
H11 H 0.246787 0.133371 0.270131 0.111 Uiso 1 1 calc R U . . .
C12 C 0.3424(9) 0.3657(9) 0.3263(7) 0.033(3) Uani 1 1 d . . . . .
C13 C 0.0076(9) 0.6169(10) 0.1724(9) 0.064(4) Uani 1 1 d D . . . .
H13 H 0.005374 0.558447 0.167949 0.077 Uiso 1 1 calc R U . . .
C14 C 0.0964(9) 0.6198(9) 0.2021(8) 0.049(3) Uani 1 1 d D . . . .
H14 H 0.151774 0.563818 0.219620 0.058 Uiso 1 1 calc R U . . .
C15 C 0.1050(11) 0.7037(9) 0.2063(8) 0.049(4) Uani 1 1 d D . . . .
C16 C 0.0203(11) 0.7847(11) 0.1834(11) 0.075(5) Uani 1 1 d D . . . .
H16 H 0.021719 0.843404 0.188108 0.090 Uiso 1 1 calc R U . . .
C17 C -0.0658(12) 0.7771(11) 0.1538(12) 0.088(6) Uani 1 1 d D . . . .
H17 H -0.121059 0.832749 0.135273 0.106 Uiso 1 1 calc R U . . .
C18 C 0.1999(9) 0.7083(9) 0.2428(7) 0.034(3) Uani 1 1 d . . . . .
C19 C -0.0256(15) 0.8306(16) 0.6478(16) 0.159(10) Uani 1 1 d D U . . .
H19 H -0.039671 0.807080 0.702903 0.190 Uiso 1 1 calc R U . . .
C20 C 0.0683(16) 0.7815(15) 0.6133(11) 0.124(8) Uani 1 1 d D U . . .
H20 H 0.117782 0.729669 0.644943 0.149 Uiso 1 1 calc R U . . .
C38 C 0.9504(11) 0.6499(11) 0.4073(9) 0.056(4) Uani 1 1 d . . . . .
H38 H 0.904401 0.710890 0.413153 0.067 Uiso 1 1 calc R U . . .
C39 C 0.9151(10) 0.5827(9) 0.3869(7) 0.037(3) Uani 1 1 d . . . . .
C40 C 0.9877(10) 0.4932(10) 0.3791(8) 0.047(3) Uani 1 1 d . . . . .
H40 H 0.967216 0.448017 0.361315 0.057 Uiso 1 1 calc R U . . .
C41 C 1.0887(10) 0.4722(9) 0.3974(9) 0.051(4) Uani 1 1 d D . . . .
H41 H 1.135272 0.410305 0.396783 0.062 Uiso 1 1 calc R U . . .
C42 C 0.8008(10) 0.6071(8) 0.3715(8) 0.037(3) Uani 1 1 d . . . . .
C21 C 0.0864(13) 0.8119(13) 0.5304(11) 0.089(6) Uani 1 1 d D . . . .
C22 C 0.0098(13) 0.8862(13) 0.4856(13) 0.109(7) Uani 1 1 d D . . . .
H22 H 0.019257 0.904945 0.427808 0.130 Uiso 1 1 calc R U . . .
C23 C -0.0804(15) 0.9325(15) 0.5260(12) 0.110(8) Uani 1 1 d D . . . .
H23 H -0.131420 0.982752 0.494122 0.132 Uiso 1 1 calc R U . . .
C24 C 0.1896(14) 0.7657(12) 0.4879(11) 0.068(5) Uani 1 1 d . . . . .
C25 C 0.4478(13) 1.0089(7) 0.6508(8) 0.068(5) Uani 1 1 d D . . . .
H25 H 0.485340 0.993911 0.701726 0.082 Uiso 1 1 calc R U . . .
C26 C 0.4524(11) 0.9390(8) 0.6054(7) 0.052(4) Uani 1 1 d D . . . .
H26 H 0.496173 0.877433 0.624627 0.063 Uiso 1 1 calc R U . . .
C27 C 0.3951(9) 0.9560(7) 0.5326(6) 0.039(3) Uani 1 1 d D . . . .
C28 C 0.3345(10) 1.0478(7) 0.5064(8) 0.048(3) Uani 1 1 d D . . . .
H28 H 0.294717 1.062741 0.456705 0.058 Uiso 1 1 calc R U . . .
C29 C 0.3307(10) 1.1190(9) 0.5515(7) 0.048(3) Uani 1 1 d D . . . .
H29 H 0.287362 1.180846 0.532704 0.058 Uiso 1 1 calc R U . . .
C30 C 0.4020(9) 0.8771(8) 0.4849(6) 0.031(3) Uani 1 1 d . . . . .
C31 C 0.3085(13) 1.0826(10) -0.0227(9) 0.076(5) Uani 1 1 d D . . . .
H31 H 0.260711 1.142809 -0.016625 0.091 Uiso 1 1 calc R U . . .
C32 C 0.3377(12) 1.0167(10) 0.0472(8) 0.057(4) Uani 1 1 d . . . . .
H32 H 0.306990 1.031273 0.100183 0.069 Uiso 1 1 calc R U . . .
C33 C 0.4113(10) 0.9294(10) 0.0414(7) 0.041(3) Uani 1 1 d . . . . .
C34 C 0.4543(13) 0.9054(11) -0.0366(8) 0.062(4) Uani 1 1 d . . . . .
H34 H 0.503591 0.845744 -0.042385 0.075 Uiso 1 1 calc R U . . .
C35 C 0.4202(15) 0.9756(11) -0.1070(10) 0.096(7) Uani 1 1 d D . . . .
H35 H 0.448870 0.961835 -0.160711 0.116 Uiso 1 1 calc R U . . .
C36 C 0.4483(9) 0.8569(9) 0.1212(7) 0.032(3) Uani 1 1 d . . . . .
C37 C 1.0539(9) 0.6237(9) 0.4183(9) 0.055(4) Uani 1 1 d D . . . .
H37 H 1.077502 0.670140 0.427832 0.066 Uiso 1 1 calc R U . . .
O1W O 0.3170(6) 0.5148(5) 0.4602(4) 0.0288(17) Uani 1 1 d D . . . .
H1WA H 0.311(3) 0.5557(18) 0.4916(18) 0.043 Uiso 1 1 d D U . . .
H1WB H 0.2642(19) 0.515(3) 0.437(2) 0.043 Uiso 1 1 d D U . . .
O2W O 0.2092(7) 0.9605(6) 0.2782(6) 0.060(3) Uani 1 1 d D . . . .
H2WA H 0.149(2) 0.970(2) 0.303(3) 0.090 Uiso 1 1 d D U . . .
H2WB H 0.222(3) 1.007(2) 0.294(3) 0.090 Uiso 1 1 d D U . . .
O3W O 0.7492(6) 0.6536(6) 0.1167(5) 0.043(2) Uani 1 1 d D . . . .
H3WA H 0.760696 0.705769 0.103093 0.065 Uiso 1 1 d DR U . . .
H3WB H 0.812177 0.615733 0.133709 0.065 Uiso 1 1 d DR U . . .
O4W O 0.6872(7) 0.7888(5) 0.2326(5) 0.042(2) Uani 1 1 d D . . . .
H4WA H 0.684861 0.809192 0.281998 0.064 Uiso 1 1 d DR U . . .
H4WB H 0.664928 0.837298 0.194509 0.064 Uiso 1 1 d DR U . . .
O5W O 0.8891(19) 0.4179(18) 0.2043(16) 0.167(10) Uani 0.75 1 d . . P . .
O6W O 0.5970(12) 0.2568(8) 0.2922(8) 0.121(5) Uani 1 1 d D . . . .
H6WA H 0.627823 0.287666 0.254033 0.181 Uiso 1 1 d DR U . . .
H6WB H 0.544535 0.311171 0.301695 0.181 Uiso 1 1 d DR U . . .


_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 O4 2.302(7) . ?
Gd1 O9 2.368(7) . ?
Gd1 O18 2.385(8) 2_666 ?
Gd1 O3 2.388(7) 2_666 ?
Gd1 O2 2.409(6) 2_666 ?
Gd1 O12 2.427(7) . ?
Gd1 O21 2.471(8) 2_666 ?
Gd1 O1W 2.546(7) . ?
Gd1 Gd4 3.7961(13) 2_666 ?
Gd1 Gd3 3.8663(10) 2_666 ?
Gd1 Gd2 3.8695(10) 2_666 ?
Gd1 Gd2 3.9577(10) . ?
Gd4 O2 2.344(7) . ?
Gd4 O11 2.355(8) . ?
Gd4 O1 2.366(7) . ?
Gd4 O22 2.377(7) . ?
Gd4 O20 2.428(8) . ?
Gd4 O9 2.443(7) 2_666 ?
Gd4 O4W 2.447(7) . ?
Gd4 O3W 2.489(7) . ?
Gd4 Gd3 3.8050(12) . ?
Gd4 Gd2 3.8869(10) . ?
Gd2 O4 2.279(7) . ?
Gd2 O3 2.346(7) . ?
Gd2 O10 2.356(8) . ?
Gd2 O14 2.378(8) . ?
Gd2 O1 2.391(7) . ?
Gd2 O13 2.401(8) . ?
Gd2 O9 2.426(7) 2_666 ?
Gd2 O1W 2.633(7) . ?
Gd2 Gd3 3.7422(13) . ?
Gd3 O3 2.339(7) . ?
Gd3 O23 2.363(8) . ?
Gd3 O1 2.391(7) . ?
Gd3 O19 2.395(9) . ?
Gd3 O2 2.419(7) . ?
Gd3 O15 2.431(8) . ?
Gd3 O17 2.433(10) . ?
Gd3 O2W 2.447(9) . ?
O10 C6 1.279(13) . ?
O11 C6 1.244(13) . ?
O12 C12 1.234(13) . ?
O13 C12 1.235(13) . ?
O14 C18 1.246(14) . ?
O15 C18 1.243(14) . ?
O16 C24 1.316(18) . ?
O17 C24 1.301(18) . ?
O18 C30 1.241(13) . ?
O19 C30 1.256(13) . ?
O20 C42 1.297(15) . ?
O21 C42 1.211(14) . ?
O22 C36 1.251(14) . ?
O23 C36 1.249(14) . ?
N1 C5 1.352(7) . ?
N1 C1 1.353(8) . ?
N2 C7 1.352(8) . ?
N2 C11 1.357(8) . ?
N3 C17 1.351(8) . ?
N3 C13 1.352(8) . ?
N4 C23 1.352(8) . ?
N4 C19 1.357(8) . ?
N5 C29 1.351(7) . ?
N5 C25 1.352(8) . ?
N6 C31 1.344(8) . ?
N6 C35 1.352(8) . ?
N7 C41 1.347(7) . ?
N7 C37 1.347(8) . ?
C1 C2 1.359(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.364(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.362(7) . ?
C3 C6 1.485(14) . ?
C4 C5 1.367(8) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C7 C8 1.356(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.358(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.362(7) . ?
C9 C12 1.514(14) . ?
C10 C11 1.359(8) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C13 C14 1.363(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.360(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.370(19) . ?
C15 C18 1.497(16) . ?
C16 C17 1.360(6) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C19 C20 1.363(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.364(8) . ?
C20 H20 0.9300 . ?
C38 C37 1.352(17) . ?
C38 C39 1.390(18) . ?
C38 H38 0.9300 . ?
C39 C40 1.385(18) . ?
C39 C42 1.511(16) . ?
C40 C41 1.354(16) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C21 C22 1.366(8) . ?
C21 C24 1.51(2) . ?
C22 C23 1.358(8) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C25 C26 1.356(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.365(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.362(7) . ?
C27 C30 1.491(15) . ?
C28 C29 1.374(17) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C31 C32 1.350(18) . ?
C31 H31 0.9300 . ?
C32 C33 1.361(18) . ?
C32 H32 0.9300 . ?
C33 C34 1.368(18) . ?
C33 C36 1.523(15) . ?
C34 C35 1.39(2) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C37 H37 0.9300 . ?
O1W H1WA 0.830(18) . ?
O1W H1WB 0.834(18) . ?
O2W H2WA 0.875(19) . ?
O2W H2WB 0.879(19) . ?
O3W H3WA 0.8774 . ?
O3W H3WB 0.8784 . ?
O4W H4WA 0.8717 . ?
O4W H4WB 0.8547 . ?
O6W H6WA 0.9057 . ?
O6W H6WB 0.9037 . ?

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
O4 Gd1 O9 110.5(2) . . ?
O4 Gd1 O18 81.5(3) . 2_666 ?
O9 Gd1 O18 141.7(2) . 2_666 ?
O4 Gd1 O3 74.2(2) . 2_666 ?
O9 Gd1 O3 68.5(2) . 2_666 ?
O18 Gd1 O3 81.2(3) 2_666 2_666 ?
O4 Gd1 O2 139.0(2) . 2_666 ?
O9 Gd1 O2 71.5(2) . 2_666 ?
O18 Gd1 O2 76.2(2) 2_666 2_666 ?
O3 Gd1 O2 68.7(2) 2_666 2_666 ?
O4 Gd1 O12 79.8(3) . . ?
O9 Gd1 O12 143.4(3) . . ?
O18 Gd1 O12 73.1(3) 2_666 . ?
O3 Gd1 O12 145.7(3) 2_666 . ?
O2 Gd1 O12 124.2(2) 2_666 . ?
O4 Gd1 O21 145.2(3) . 2_666 ?
O9 Gd1 O21 79.3(3) . 2_666 ?
O18 Gd1 O21 111.9(3) 2_666 2_666 ?
O3 Gd1 O21 137.8(3) 2_666 2_666 ?
O2 Gd1 O21 75.7(2) 2_666 2_666 ?
O12 Gd1 O21 74.4(3) . 2_666 ?
O4 Gd1 O1W 70.4(2) . . ?
O9 Gd1 O1W 78.3(2) . . ?
O18 Gd1 O1W 138.5(2) 2_666 . ?
O3 Gd1 O1W 117.7(2) 2_666 . ?
O2 Gd1 O1W 143.9(2) 2_666 . ?
O12 Gd1 O1W 72.4(3) . . ?
O21 Gd1 O1W 79.7(2) 2_666 . ?
O4 Gd1 Gd4 144.01(17) . 2_666 ?
O9 Gd1 Gd4 38.62(16) . 2_666 ?
O18 Gd1 Gd4 112.58(17) 2_666 2_666 ?
O3 Gd1 Gd4 75.60(17) 2_666 2_666 ?
O2 Gd1 Gd4 36.43(17) 2_666 2_666 ?
O12 Gd1 Gd4 135.25(19) . 2_666 ?
O21 Gd1 Gd4 62.24(19) 2_666 2_666 ?
O1W Gd1 Gd4 108.04(16) . 2_666 ?
O4 Gd1 Gd3 102.33(18) . 2_666 ?
O9 Gd1 Gd3 76.18(16) . 2_666 ?
O18 Gd1 Gd3 65.66(18) 2_666 2_666 ?
O3 Gd1 Gd3 34.70(16) 2_666 2_666 ?
O2 Gd1 Gd3 36.89(17) 2_666 2_666 ?
O12 Gd1 Gd3 137.7(2) . 2_666 ?
O21 Gd1 Gd3 112.44(18) 2_666 2_666 ?
O1W Gd1 Gd3 148.80(16) . 2_666 ?
Gd4 Gd1 Gd3 59.539(19) 2_666 2_666 ?
O4 Gd1 Gd2 83.09(18) . 2_666 ?
O9 Gd1 Gd2 36.69(16) . 2_666 ?
O18 Gd1 Gd2 115.9(2) 2_666 2_666 ?
O3 Gd1 Gd2 34.82(19) 2_666 2_666 ?
O2 Gd1 Gd2 76.55(16) 2_666 2_666 ?
O12 Gd1 Gd2 159.29(19) . 2_666 ?
O21 Gd1 Gd2 115.5(2) 2_666 2_666 ?
O1W Gd1 Gd2 90.94(16) . 2_666 ?
Gd4 Gd1 Gd2 60.928(18) 2_666 2_666 ?
Gd3 Gd1 Gd2 57.86(2) 2_666 2_666 ?
O4 Gd1 Gd2 30.07(18) . . ?
O9 Gd1 Gd2 102.21(16) . . ?
O18 Gd1 Gd2 104.23(18) 2_666 . ?
O3 Gd1 Gd2 96.98(15) 2_666 . ?
O2 Gd1 Gd2 165.58(16) 2_666 . ?
O12 Gd1 Gd2 68.71(19) . . ?
O21 Gd1 Gd2 116.54(18) 2_666 . ?
O1W Gd1 Gd2 40.99(16) . . ?
Gd4 Gd1 Gd2 140.48(2) 2_666 . ?
Gd3 Gd1 Gd2 129.77(2) 2_666 . ?
Gd2 Gd1 Gd2 90.67(2) 2_666 . ?
O2 Gd4 O11 146.9(3) . . ?
O2 Gd4 O1 72.0(2) . . ?
O11 Gd4 O1 80.4(3) . . ?
O2 Gd4 O22 95.3(3) . . ?
O11 Gd4 O22 94.8(3) . . ?
O1 Gd4 O22 75.1(3) . . ?
O2 Gd4 O20 99.4(3) . . ?
O11 Gd4 O20 90.5(3) . . ?
O1 Gd4 O20 140.8(3) . . ?
O22 Gd4 O20 144.0(3) . . ?
O2 Gd4 O9 71.3(2) . 2_666 ?
O11 Gd4 O9 82.6(3) . 2_666 ?
O1 Gd4 O9 70.1(2) . 2_666 ?
O22 Gd4 O9 145.1(3) . 2_666 ?
O20 Gd4 O9 70.9(3) . 2_666 ?
O2 Gd4 O4W 73.7(3) . . ?
O11 Gd4 O4W 139.3(3) . . ?
O1 Gd4 O4W 132.3(3) . . ?
O22 Gd4 O4W 76.1(3) . . ?
O20 Gd4 O4W 76.9(3) . . ?
O9 Gd4 O4W 126.8(2) 2_666 . ?
O2 Gd4 O3W 143.4(3) . . ?
O11 Gd4 O3W 69.6(3) . . ?
O1 Gd4 O3W 135.1(2) . . ?
O22 Gd4 O3W 75.1(3) . . ?
O20 Gd4 O3W 73.6(3) . . ?
O9 Gd4 O3W 134.2(3) 2_666 . ?
O4W Gd4 O3W 69.7(3) . . ?
O2 Gd4 Gd1 37.61(16) . 2_666 ?
O11 Gd4 Gd1 119.8(2) . 2_666 ?
O1 Gd4 Gd1 78.70(16) . 2_666 ?
O22 Gd4 Gd1 131.7(2) . 2_666 ?
O20 Gd4 Gd1 73.1(2) . 2_666 ?
O9 Gd4 Gd1 37.22(17) 2_666 2_666 ?
O4W Gd4 Gd1 93.54(18) . 2_666 ?
O3W Gd4 Gd1 145.34(18) . 2_666 ?
O2 Gd4 Gd3 37.68(16) . . ?
O11 Gd4 Gd3 117.5(2) . . ?
O1 Gd4 Gd3 37.10(17) . . ?
O22 Gd4 Gd3 73.7(2) . . ?
O20 Gd4 Gd3 133.7(2) . . ?
O9 Gd4 Gd3 76.74(17) 2_666 . ?
O4W Gd4 Gd3 98.2(2) . . ?
O3W Gd4 Gd3 148.40(19) . . ?
Gd1 Gd4 Gd3 61.150(15) 2_666 . ?
O2 Gd4 Gd2 76.79(17) . . ?
O11 Gd4 Gd2 70.1(2) . . ?
O1 Gd4 Gd2 35.42(16) . . ?
O22 Gd4 Gd2 109.6(2) . . ?
O20 Gd4 Gd2 105.7(2) . . ?
O9 Gd4 Gd2 36.88(15) 2_666 . ?
O4W Gd4 Gd2 150.41(19) . . ?
O3W Gd4 Gd2 139.76(19) . . ?
Gd1 Gd4 Gd2 60.469(13) 2_666 . ?
Gd3 Gd4 Gd2 58.21(2) . . ?
O4 Gd2 O3 105.1(2) . . ?
O4 Gd2 O10 85.9(3) . . ?
O3 Gd2 O10 142.6(3) . . ?
O4 Gd2 O14 139.4(3) . . ?
O3 Gd2 O14 81.0(3) . . ?
O10 Gd2 O14 113.8(3) . . ?
O4 Gd2 O1 146.6(2) . . ?
O3 Gd2 O1 70.7(2) . . ?
O10 Gd2 O1 80.6(3) . . ?
O14 Gd2 O1 73.7(3) . . ?
O4 Gd2 O13 79.7(3) . . ?
O3 Gd2 O13 142.4(3) . . ?
O10 Gd2 O13 74.2(3) . . ?
O14 Gd2 O13 73.0(3) . . ?
O1 Gd2 O13 124.6(2) . . ?
O4 Gd2 O9 77.7(2) . 2_666 ?
O3 Gd2 O9 68.2(3) . 2_666 ?
O10 Gd2 O9 79.9(3) . 2_666 ?
O14 Gd2 O9 138.3(3) . 2_666 ?
O1 Gd2 O9 70.0(2) . 2_666 ?
O13 Gd2 O9 146.5(3) . 2_666 ?
O4 Gd2 O1W 69.1(2) . . ?
O3 Gd2 O1W 74.1(2) . . ?
O10 Gd2 O1W 141.7(2) . . ?
O14 Gd2 O1W 74.5(2) . . ?
O1 Gd2 O1W 135.3(2) . . ?
O13 Gd2 O1W 73.2(3) . . ?
O9 Gd2 O1W 120.0(2) 2_666 . ?
O4 Gd2 Gd3 141.11(18) . . ?
O3 Gd2 Gd3 36.91(16) . . ?
O10 Gd2 Gd3 119.08(19) . . ?
O14 Gd2 Gd3 60.5(2) . . ?
O1 Gd2 Gd3 38.50(17) . . ?
O13 Gd2 Gd3 133.2(2) . . ?
O9 Gd2 Gd3 78.23(17) 2_666 . ?
O1W Gd2 Gd3 97.89(16) . . ?
O4 Gd2 Gd1 81.84(18) . 2_666 ?
O3 Gd2 Gd1 35.54(18) . 2_666 ?
O10 Gd2 Gd1 115.5(2) . 2_666 ?
O14 Gd2 Gd1 116.0(2) . 2_666 ?
O1 Gd2 Gd1 76.87(16) . 2_666 ?
O13 Gd2 Gd1 158.40(18) . 2_666 ?
O9 Gd2 Gd1 35.68(17) 2_666 2_666 ?
O1W Gd2 Gd1 89.90(15) . 2_666 ?
Gd3 Gd2 Gd1 61.028(18) . 2_666 ?
O4 Gd2 Gd4 111.64(18) . . ?
O3 Gd2 Gd4 74.07(17) . . ?
O10 Gd2 Gd4 68.66(19) . . ?
O14 Gd2 Gd4 108.6(2) . . ?
O1 Gd2 Gd4 34.99(17) . . ?
O13 Gd2 Gd4 139.8(2) . . ?
O9 Gd2 Gd4 37.19(15) 2_666 . ?
O1W Gd2 Gd4 146.96(15) . . ?
Gd3 Gd2 Gd4 59.80(2) . . ?
Gd1 Gd2 Gd4 58.60(2) 2_666 . ?
O4 Gd2 Gd1 30.41(18) . . ?
O3 Gd2 Gd1 95.99(16) . . ?
O10 Gd2 Gd1 109.17(19) . . ?
O14 Gd2 Gd1 110.0(2) . . ?
O1 Gd2 Gd1 165.72(16) . . ?
O13 Gd2 Gd1 69.08(18) . . ?
O9 Gd2 Gd1 100.83(15) 2_666 . ?
O1W Gd2 Gd1 39.36(16) . . ?
Gd3 Gd2 Gd1 130.46(2) . . ?
Gd1 Gd2 Gd1 89.33(2) 2_666 . ?
Gd4 Gd2 Gd1 137.877(19) . . ?
O3 Gd3 O23 140.8(3) . . ?
O3 Gd3 O1 70.8(2) . . ?
O23 Gd3 O1 77.5(3) . . ?
O3 Gd3 O19 93.9(3) . . ?
O23 Gd3 O19 98.9(3) . . ?
O1 Gd3 O19 144.2(3) . . ?
O3 Gd3 O2 69.4(2) . . ?
O23 Gd3 O2 78.8(3) . . ?
O1 Gd3 O2 70.3(2) . . ?
O19 Gd3 O2 74.1(3) . . ?
O3 Gd3 O15 104.5(3) . . ?
O23 Gd3 O15 89.4(3) . . ?
O1 Gd3 O15 76.6(3) . . ?
O19 Gd3 O15 139.2(3) . . ?
O2 Gd3 O15 146.5(3) . . ?
O3 Gd3 O17 73.2(3) . . ?
O23 Gd3 O17 145.9(3) . . ?
O1 Gd3 O17 126.0(3) . . ?
O19 Gd3 O17 76.0(3) . . ?
O2 Gd3 O17 129.5(3) . . ?
O15 Gd3 O17 75.0(4) . . ?
O3 Gd3 O2W 147.1(3) . . ?
O23 Gd3 O2W 71.7(3) . . ?
O1 Gd3 O2W 136.9(3) . . ?
O19 Gd3 O2W 71.3(3) . . ?
O2 Gd3 O2W 129.6(3) . . ?
O15 Gd3 O2W 73.7(3) . . ?
O17 Gd3 O2W 74.8(3) . . ?
O3 Gd3 Gd2 37.04(18) . . ?
O23 Gd3 Gd2 116.0(2) . . ?
O1 Gd3 Gd2 38.51(15) . . ?
O19 Gd3 Gd2 130.4(2) . . ?
O2 Gd3 Gd2 79.12(16) . . ?
O15 Gd3 Gd2 78.1(2) . . ?
O17 Gd3 Gd2 90.8(2) . . ?
O2W Gd3 Gd2 150.8(2) . . ?
O3 Gd3 Gd4 75.88(19) . . ?
O23 Gd3 Gd4 64.9(2) . . ?
O1 Gd3 Gd4 36.65(16) . . ?
O19 Gd3 Gd4 109.3(2) . . ?
O2 Gd3 Gd4 36.32(16) . . ?
O15 Gd3 Gd4 110.4(2) . . ?
O17 Gd3 Gd4 149.0(2) . . ?
O2W Gd3 Gd4 136.3(2) . . ?
Gd2 Gd3 Gd4 61.991(15) . . ?
O3 Gd3 Gd1 35.55(17) . 2_666 ?
O23 Gd3 Gd1 115.4(2) . 2_666 ?
O1 Gd3 Gd1 76.94(16) . 2_666 ?
O19 Gd3 Gd1 72.7(2) . 2_666 ?
O2 Gd3 Gd1 36.72(15) . 2_666 ?
O15 Gd3 Gd1 138.2(2) . 2_666 ?
O17 Gd3 Gd1 95.6(2) . 2_666 ?
O2W Gd3 Gd1 143.9(2) . 2_666 ?
Gd2 Gd3 Gd1 61.110(15) . 2_666 ?
Gd4 Gd3 Gd1 59.31(2) . 2_666 ?
Gd4 O1 Gd3 106.2(3) . . ?
Gd4 O1 Gd2 109.6(3) . . ?
Gd3 O1 Gd2 103.0(3) . . ?
Gd4 O2 Gd1 106.0(3) . 2_666 ?
Gd4 O2 Gd3 106.0(2) . . ?
Gd1 O2 Gd3 106.4(3) 2_666 . ?
Gd3 O3 Gd2 106.0(3) . . ?
Gd3 O3 Gd1 109.8(3) . 2_666 ?
Gd2 O3 Gd1 109.6(3) . 2_666 ?
Gd2 O4 Gd1 119.5(3) . . ?
Gd1 O9 Gd2 107.6(3) . 2_666 ?
Gd1 O9 Gd4 104.2(3) . 2_666 ?
Gd2 O9 Gd4 105.9(2) 2_666 2_666 ?
C6 O10 Gd2 137.1(7) . . ?
C6 O11 Gd4 136.3(8) . . ?
C12 O12 Gd1 136.1(7) . . ?
C12 O13 Gd2 136.9(7) . . ?
C18 O14 Gd2 147.7(8) . . ?
C18 O15 Gd3 117.8(8) . . ?
C24 O17 Gd3 138.4(10) . . ?
C30 O18 Gd1 139.3(7) . 2_666 ?
C30 O19 Gd3 129.1(8) . . ?
C42 O20 Gd4 118.4(8) . . ?
C42 O21 Gd1 134.9(8) . 2_666 ?
C36 O22 Gd4 126.5(7) . . ?
C36 O23 Gd3 138.7(8) . . ?
C5 N1 C1 116.7(11) . . ?
C7 N2 C11 115.7(13) . . ?
C17 N3 C13 114.5(12) . . ?
C23 N4 C19 113.0(18) . . ?
C29 N5 C25 118.2(11) . . ?
C31 N6 C35 117.9(13) . . ?
C41 N7 C37 115.2(11) . . ?
N1 C1 C2 122.7(12) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C1 C2 C3 121.0(11) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 H2 119.5 . . ?
C4 C3 C2 116.2(10) . . ?
C4 C3 C6 122.2(9) . . ?
C2 C3 C6 121.4(9) . . ?
C3 C4 C5 122.3(11) . . ?
C3 C4 H4 118.9 . . ?
C5 C4 H4 118.9 . . ?
N1 C5 C4 121.1(12) . . ?
N1 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
O11 C6 O10 124.5(10) . . ?
O11 C6 C3 118.7(10) . . ?
O10 C6 C3 116.9(9) . . ?
N2 C7 C8 123.8(14) . . ?
N2 C7 H7 118.1 . . ?
C8 C7 H7 118.1 . . ?
C7 C8 C9 119.7(12) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C8 C9 C10 117.5(11) . . ?
C8 C9 C12 121.2(9) . . ?
C10 C9 C12 121.2(9) . . ?
C11 C10 C9 121.4(12) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
N2 C11 C10 121.7(13) . . ?
N2 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
O12 C12 O13 128.1(11) . . ?
O12 C12 C9 115.9(10) . . ?
O13 C12 C9 116.0(9) . . ?
N3 C13 C14 123.0(13) . . ?
N3 C13 H13 118.5 . . ?
C14 C13 H13 118.5 . . ?
C15 C14 C13 120.7(13) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C14 C15 C16 118.0(12) . . ?
C14 C15 C18 121.4(11) . . ?
C16 C15 C18 120.3(11) . . ?
C17 C16 C15 118.4(14) . . ?
C17 C16 H16 120.8 . . ?
C15 C16 H16 120.8 . . ?
N3 C17 C16 125.3(14) . . ?
N3 C17 H17 117.4 . . ?
C16 C17 H17 117.4 . . ?
O15 C18 O14 124.7(11) . . ?
O15 C18 C15 118.0(10) . . ?
O14 C18 C15 117.4(11) . . ?
N4 C19 C20 126(2) . . ?
N4 C19 H19 116.8 . . ?
C20 C19 H19 116.8 . . ?
C19 C20 C21 117(2) . . ?
C19 C20 H20 121.5 . . ?
C21 C20 H20 121.5 . . ?
C37 C38 C39 117.7(14) . . ?
C37 C38 H38 121.2 . . ?
C39 C38 H38 121.2 . . ?
C40 C39 C38 118.2(12) . . ?
C40 C39 C42 120.9(12) . . ?
C38 C39 C42 120.9(12) . . ?
C41 C40 C39 119.5(12) . . ?
C41 C40 H40 120.3 . . ?
C39 C40 H40 120.3 . . ?
N7 C41 C40 123.7(13) . . ?
N7 C41 H41 118.2 . . ?
C40 C41 H41 118.2 . . ?
O21 C42 O20 126.2(12) . . ?
O21 C42 C39 120.4(11) . . ?
O20 C42 C39 113.4(11) . . ?
C20 C21 C22 119.3(18) . . ?
C20 C21 C24 121.1(15) . . ?
C22 C21 C24 119.6(15) . . ?
C23 C22 C21 119.6(19) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
N4 C23 C22 124(2) . . ?
N4 C23 H23 117.9 . . ?
C22 C23 H23 117.9 . . ?
O17 C24 O16 129.0(15) . . ?
O17 C24 C21 115.5(14) . . ?
O16 C24 C21 115.0(15) . . ?
N5 C25 C26 120.9(12) . . ?
N5 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C25 C26 C27 122.3(11) . . ?
C25 C26 H26 118.9 . . ?
C27 C26 H26 118.9 . . ?
C28 C27 C26 116.2(11) . . ?
C28 C27 C30 123.2(10) . . ?
C26 C27 C30 120.6(9) . . ?
C27 C28 C29 121.7(12) . . ?
C27 C28 H28 119.1 . . ?
C29 C28 H28 119.1 . . ?
N5 C29 C28 120.6(11) . . ?
N5 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
O18 C30 O19 126.6(11) . . ?
O18 C30 C27 117.5(9) . . ?
O19 C30 C27 115.9(10) . . ?
N6 C31 C32 121.0(13) . . ?
N6 C31 H31 119.5 . . ?
C32 C31 H31 119.5 . . ?
C31 C32 C33 121.0(13) . . ?
C31 C32 H32 119.5 . . ?
C33 C32 H32 119.5 . . ?
C32 C33 C34 120.3(12) . . ?
C32 C33 C36 120.9(11) . . ?
C34 C33 C36 118.8(13) . . ?
C33 C34 C35 116.3(15) . . ?
C33 C34 H34 121.9 . . ?
C35 C34 H34 121.9 . . ?
N6 C35 C34 123.4(15) . . ?
N6 C35 H35 118.3 . . ?
C34 C35 H35 118.3 . . ?
O23 C36 O22 126.5(10) . . ?
O23 C36 C33 114.9(11) . . ?
O22 C36 C33 118.6(10) . . ?
N7 C37 C38 125.5(13) . . ?
N7 C37 H37 117.2 . . ?
C38 C37 H37 117.2 . . ?
Gd1 O1W Gd2 99.7(3) . . ?
Gd1 O1W H1WA 112(3) . . ?
Gd2 O1W H1WA 107(2) . . ?
Gd1 O1W H1WB 113(3) . . ?
Gd2 O1W H1WB 104(2) . . ?
H1WA O1W H1WB 119(3) . . ?
Gd3 O2W H2WA 116(3) . . ?
Gd3 O2W H2WB 116(3) . . ?
H2WA O2W H2WB 100(3) . . ?
Gd4 O3W H3WA 112.5 . . ?
Gd4 O3W H3WB 113.6 . . ?
H3WA O3W H3WB 98.6 . . ?
Gd4 O4W H4WA 115.7 . . ?
Gd4 O4W H4WB 117.4 . . ?
H4WA O4W H4WB 107.1 . . ?
H6WA O6W H6WB 92.1 . . ?

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
C5 N1 C1 C2 3(3) . . . . ?
N1 C1 C2 C3 -2(3) . . . . ?
C1 C2 C3 C4 1(2) . . . . ?
C1 C2 C3 C6 -173.5(14) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
C6 C3 C4 C5 173.8(14) . . . . ?
C1 N1 C5 C4 -2(2) . . . . ?
C3 C4 C5 N1 2(3) . . . . ?
Gd4 O11 C6 O10 -19(2) . . . . ?
Gd4 O11 C6 C3 160.0(8) . . . . ?
Gd2 O10 C6 O11 26.7(19) . . . . ?
Gd2 O10 C6 C3 -152.6(8) . . . . ?
C4 C3 C6 O11 -174.8(12) . . . . ?
C2 C3 C6 O11 -0.4(18) . . . . ?
C4 C3 C6 O10 4.6(18) . . . . ?
C2 C3 C6 O10 179.0(12) . . . . ?
C11 N2 C7 C8 4(4) . . . . ?
N2 C7 C8 C9 -2(4) . . . . ?
C7 C8 C9 C10 -1(3) . . . . ?
C7 C8 C9 C12 -178.4(19) . . . . ?
C8 C9 C10 C11 1(3) . . . . ?
C12 C9 C10 C11 178.5(17) . . . . ?
C7 N2 C11 C10 -4(4) . . . . ?
C9 C10 C11 N2 2(3) . . . . ?
Gd1 O12 C12 O13 -15(2) . . . . ?
Gd1 O12 C12 C9 163.5(8) . . . . ?
Gd2 O13 C12 O12 12(2) . . . . ?
Gd2 O13 C12 C9 -166.8(9) . . . . ?
C8 C9 C12 O12 179.2(16) . . . . ?
C10 C9 C12 O12 2(2) . . . . ?
C8 C9 C12 O13 -2(2) . . . . ?
C10 C9 C12 O13 -179.7(13) . . . . ?
C17 N3 C13 C14 3(2) . . . . ?
N3 C13 C14 C15 -3(2) . . . . ?
C13 C14 C15 C16 3(2) . . . . ?
C13 C14 C15 C18 176.9(12) . . . . ?
C14 C15 C16 C17 -3(2) . . . . ?
C18 C15 C16 C17 -177.4(15) . . . . ?
C13 N3 C17 C16 -3(3) . . . . ?
C15 C16 C17 N3 4(3) . . . . ?
Gd3 O15 C18 O14 -13.4(16) . . . . ?
Gd3 O15 C18 C15 166.6(8) . . . . ?
Gd2 O14 C18 O15 -32(2) . . . . ?
Gd2 O14 C18 C15 147.7(12) . . . . ?
C14 C15 C18 O15 164.8(12) . . . . ?
C16 C15 C18 O15 -21.2(19) . . . . ?
C14 C15 C18 O14 -15.2(18) . . . . ?
C16 C15 C18 O14 158.8(13) . . . . ?
C23 N4 C19 C20 8(5) . . . . ?
N4 C19 C20 C21 -4(5) . . . . ?
C37 C38 C39 C40 0.0(18) . . . . ?
C37 C38 C39 C42 -178.6(12) . . . . ?
C38 C39 C40 C41 4.8(18) . . . . ?
C42 C39 C40 C41 -176.7(11) . . . . ?
C37 N7 C41 C40 1.4(19) . . . . ?
C39 C40 C41 N7 -6(2) . . . . ?
Gd1 O21 C42 O20 33.7(18) 2_666 . . . ?
Gd1 O21 C42 C39 -147.7(8) 2_666 . . . ?
Gd4 O20 C42 O21 25.3(16) . . . . ?
Gd4 O20 C42 C39 -153.4(7) . . . . ?
C40 C39 C42 O21 133.3(13) . . . . ?
C38 C39 C42 O21 -48.2(16) . . . . ?
C40 C39 C42 O20 -47.9(15) . . . . ?
C38 C39 C42 O20 130.6(12) . . . . ?
C19 C20 C21 C22 -2(4) . . . . ?
C19 C20 C21 C24 177(2) . . . . ?
C20 C21 C22 C23 4(4) . . . . ?
C24 C21 C22 C23 -175(2) . . . . ?
C19 N4 C23 C22 -6(4) . . . . ?
C21 C22 C23 N4 0(4) . . . . ?
Gd3 O17 C24 O16 -21(3) . . . . ?
Gd3 O17 C24 C21 167.3(12) . . . . ?
C20 C21 C24 O17 -171(2) . . . . ?
C22 C21 C24 O17 8(3) . . . . ?
C20 C21 C24 O16 16(3) . . . . ?
C22 C21 C24 O16 -165.0(19) . . . . ?
C29 N5 C25 C26 4(2) . . . . ?
N5 C25 C26 C27 -3(2) . . . . ?
C25 C26 C27 C28 2(2) . . . . ?
C25 C26 C27 C30 -179.7(13) . . . . ?
C26 C27 C28 C29 -1(2) . . . . ?
C30 C27 C28 C29 -179.4(12) . . . . ?
C25 N5 C29 C28 -3(2) . . . . ?
C27 C28 C29 N5 1(2) . . . . ?
Gd1 O18 C30 O19 31(2) 2_666 . . . ?
Gd1 O18 C30 C27 -146.6(9) 2_666 . . . ?
Gd3 O19 C30 O18 1.0(19) . . . . ?
Gd3 O19 C30 C27 178.7(7) . . . . ?
C28 C27 C30 O18 -176.6(12) . . . . ?
C26 C27 C30 O18 4.8(18) . . . . ?
C28 C27 C30 O19 5.5(18) . . . . ?
C26 C27 C30 O19 -173.2(12) . . . . ?
C35 N6 C31 C32 -3(3) . . . . ?
N6 C31 C32 C33 3(3) . . . . ?
C31 C32 C33 C34 -3(2) . . . . ?
C31 C32 C33 C36 176.7(13) . . . . ?
C32 C33 C34 C35 1(2) . . . . ?
C36 C33 C34 C35 -177.8(14) . . . . ?
C31 N6 C35 C34 2(3) . . . . ?
C33 C34 C35 N6 -1(3) . . . . ?
Gd3 O23 C36 O22 -34(2) . . . . ?
Gd3 O23 C36 C33 148.1(9) . . . . ?
Gd4 O22 C36 O23 -4.9(17) . . . . ?
Gd4 O22 C36 C33 173.0(7) . . . . ?
C32 C33 C36 O23 10.7(17) . . . . ?
C34 C33 C36 O23 -169.9(12) . . . . ?
C32 C33 C36 O22 -167.4(12) . . . . ?
C34 C33 C36 O22 11.9(17) . . . . ?
C41 N7 C37 C38 4(2) . . . . ?
C39 C38 C37 N7 -5(2) . . . . ?

_refine_diff_density_max         2.411
_refine_diff_density_min         -1.959
_refine_diff_density_rms         0.231



####################################################################### 
# 
# 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_Dy
_database_code_depnum_ccdc_archive 'CCDC 2096898'
loop_
_audit_author_name
_audit_author_address
'Yan Xu'
;Nanjing Tech University
China
;
_audit_update_record             
;
2021-07-16 deposited with the CCDC.	2021-08-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C84 H98 Dy8 N14 O54'
_chemical_formula_weight         3467.76

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'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.935(2)
_cell_length_b                   15.442(2)
_cell_length_c                   15.646(2)
_cell_angle_alpha                81.782(2)
_cell_angle_beta                 87.515(2)
_cell_angle_gamma                67.463(2)
_cell_volume                     3077.5(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5638
_cell_measurement_theta_min      2.245
_cell_measurement_theta_max      26.331

_exptl_crystal_description       rectangular
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_F_000             1660
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    4.882
_shelx_estimated_absorpt_T_min   0.569
_shelx_estimated_absorpt_T_max   0.592
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.569
_exptl_absorpt_correction_T_max  0.592
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22223
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_av_R_equivalents  0.0577
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.315
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.010
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             10687
_reflns_number_gt                8205
_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.
 
 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.
;

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_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)+(0.0896P)²] 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         10687
_refine_ls_number_parameters     697
_refine_ls_number_restraints     58
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0523
_refine_ls_wR_factor_ref         0.1454
_refine_ls_wR_factor_gt          0.1380
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.030
_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 0.38729(4) 0.33267(3) 0.76696(3) 0.01395(13) Uani 1 1 d . . . . .
Dy3 Dy 0.56576(4) 0.45994(3) 0.67056(3) 0.01344(13) Uani 1 1 d . . . . .
Dy2 Dy 0.65587(4) 0.19899(3) 0.68599(3) 0.01570(13) Uani 1 1 d . . . . .
Dy4 Dy 0.56523(4) 0.64689(3) 0.47235(3) 0.01298(13) Uani 1 1 d . . . . .
O17 O 0.4807(5) 0.5907(5) 0.5799(4) 0.0175(15) Uani 1 1 d . U . . .
O19 O 0.5933(5) 0.3383(5) 0.5887(4) 0.0136(14) Uani 1 1 d . U . . .
O16 O 0.6817(5) 0.4862(5) 0.5389(4) 0.0157(15) Uani 1 1 d D . . . .
H16B H 0.697822 0.519321 0.571568 0.019 Uiso 1 1 d DR U . . .
H16A H 0.736742 0.439160 0.529386 0.019 Uiso 1 1 d DR U . . .
O18 O 0.5581(5) 0.3268(5) 0.7643(4) 0.0158(15) Uani 1 1 d . U . . .
O15 O 0.5940(5) 0.5589(5) 0.3552(4) 0.0173(15) Uani 1 1 d . . . . .
O5 O 0.2211(6) 0.4197(6) 0.6980(5) 0.0312(19) Uani 1 1 d . . . . .
O23 O 0.3150(6) 0.2115(5) 0.7634(5) 0.0305(19) Uani 1 1 d . . . . .
H23A H 0.334387 0.170600 0.808805 0.046 Uiso 1 1 d R U . . .
H23B H 0.341867 0.179737 0.721819 0.046 Uiso 1 1 d R U . . .
O21 O 0.4738(5) 0.2439(5) 0.6579(4) 0.0182(15) Uani 1 1 d . . . . .
O4 O 0.3630(6) 0.4606(5) 0.8404(5) 0.0262(17) Uani 1 1 d . U . . .
O7 O 0.4754(6) 0.2145(5) 0.8818(4) 0.0226(17) Uani 1 1 d . . . . .
O3 O 0.4616(6) 0.5386(5) 0.7807(4) 0.0283(18) Uani 1 1 d D . . . .
O8 O 0.6052(6) 0.1224(5) 0.8088(4) 0.0295(19) Uani 1 1 d . . . . .
O14 O 0.7387(6) 0.3662(6) 0.7148(5) 0.037(2) Uani 1 1 d . . . . .
O13 O 0.7853(6) 0.2156(6) 0.7706(5) 0.037(2) Uani 1 1 d . . . . .
O1 O 0.6480(6) 0.6662(6) 0.5959(5) 0.0283(18) Uani 1 1 d . . . . .
O6 O 0.2648(6) 0.3517(5) 0.5770(5) 0.0269(18) Uani 1 1 d . . . . .
O22 O 0.2557(6) 0.3430(6) 0.8807(5) 0.0325(19) Uani 1 1 d . . . . .
H22A H 0.202574 0.337983 0.859951 0.049 Uiso 1 1 d R U . . .
H22B H 0.232376 0.398613 0.895385 0.049 Uiso 1 1 d R U . . .
O9 O 0.5434(6) 0.2068(5) 0.4835(5) 0.0322(19) Uani 1 1 d . . . . .
O10 O 0.6434(6) 0.1010(5) 0.5877(5) 0.0294(19) Uani 1 1 d . . . . .
O2 O 0.6412(6) 0.5648(6) 0.7102(5) 0.0311(19) Uani 1 1 d . . . . .
O20 O 0.7919(7) 0.0420(6) 0.7188(6) 0.044(2) Uani 1 1 d . . . . .
H20A H 0.842597 0.034933 0.682272 0.066 Uiso 1 1 d R U . . .
H20B H 0.769506 -0.001656 0.709816 0.066 Uiso 1 1 d R U . . .
C18 C 0.2007(8) 0.3949(8) 0.6302(7) 0.023(2) Uani 1 1 d . . . . .
C42 C 0.7989(8) 0.2938(9) 0.7574(7) 0.026(3) Uani 1 1 d . . . . .
O12 O 0.7480(7) 0.3167(6) 0.4726(6) 0.041(2) Uani 1 1 d . . . . .
O11 O 0.7936(7) 0.1948(7) 0.5836(6) 0.045(2) Uani 1 1 d . . . . .
N3 N -0.1237(7) 0.4633(8) 0.5850(6) 0.033(2) Uani 1 1 d . . . . .
C39 C 0.8962(9) 0.2937(9) 0.7934(7) 0.028(3) Uani 1 1 d . . . . .
C14 C 0.0522(9) 0.3502(9) 0.5956(9) 0.041(3) Uani 1 1 d . . . . .
H14 H 0.098700 0.288516 0.592646 0.049 Uiso 1 1 calc R U . . .
C9 C 0.3929(8) 0.5694(8) 0.9173(6) 0.023(2) Uani 1 1 d . . . . .
C6 C 0.6576(8) 0.6339(8) 0.6741(7) 0.023(2) Uani 1 1 d . . . . .
C24 C 0.5549(9) 0.1398(8) 0.8773(7) 0.024(3) Uani 1 1 d . . . . .
C21 C 0.5899(8) 0.0701(8) 0.9554(7) 0.026(3) Uani 1 1 d . . . . .
C15 C 0.0859(8) 0.4194(8) 0.6139(7) 0.024(3) Uani 1 1 d . . . . .
C12 C 0.4066(8) 0.5190(8) 0.8414(7) 0.024(2) Uani 1 1 d . . . . .
C3 C 0.6935(9) 0.6859(8) 0.7341(7) 0.026(3) Uani 1 1 d . . . . .
C16 C 0.0139(9) 0.5086(9) 0.6208(8) 0.035(3) Uani 1 1 d . . . . .
H16 H 0.033747 0.555117 0.636876 0.042 Uiso 1 1 calc R U . . .
N5 N 0.6082(9) -0.1001(8) 0.3776(7) 0.042(3) Uani 1 1 d . . . . .
C26 C 0.6649(9) -0.0481(8) 0.4963(7) 0.027(3) Uani 1 1 d . . . . .
H26 H 0.703591 -0.063352 0.547124 0.033 Uiso 1 1 calc R U . . .
N2 N 0.3788(10) 0.6525(8) 1.0667(7) 0.049(3) Uani 1 1 d . . . . .
N7 N 1.0784(10) 0.3055(11) 0.8506(8) 0.055(3) Uani 1 1 d . . . . .
C27 C 0.6035(8) 0.0441(8) 0.4656(7) 0.023(2) Uani 1 1 d . . . . .
C13 C -0.0527(10) 0.3763(10) 0.5819(8) 0.041(3) Uani 1 1 d . . . . .
H13 H -0.075589 0.330201 0.569545 0.049 Uiso 1 1 calc R U . . .
N4 N 0.6562(11) -0.0661(10) 1.1002(8) 0.058(4) Uani 1 1 d . . . . .
C17 C -0.0877(9) 0.5268(10) 0.6034(8) 0.040(3) Uani 1 1 d . . . . .
H17 H -0.135364 0.588395 0.604501 0.048 Uiso 1 1 calc R U . . .
C22 C 0.5524(12) 0.0875(11) 1.0356(8) 0.053(4) Uani 1 1 d . . . . .
H22 H 0.501415 0.145935 1.043070 0.064 Uiso 1 1 calc R U . . .
C30 C 0.5968(9) 0.1249(8) 0.5161(7) 0.025(3) Uani 1 1 d . . . . .
C36 C 0.8093(10) 0.2363(10) 0.5110(8) 0.038(3) Uani 1 1 d . . . . .
C19 C 0.6926(12) -0.0839(11) 1.0254(10) 0.058(4) Uani 1 1 d . . . . .
H19 H 0.742270 -0.143840 1.020745 0.070 Uiso 1 1 calc R U . . .
C41 C 0.9948(12) 0.3807(12) 0.8290(9) 0.051(4) Uani 1 1 d . . . . .
H41 H 0.996683 0.439305 0.834020 0.062 Uiso 1 1 calc R U . . .
C40 C 0.9060(10) 0.3791(10) 0.7999(8) 0.039(3) Uani 1 1 d . . . . .
H40 H 0.850323 0.435793 0.783790 0.047 Uiso 1 1 calc R U . . .
C10 C 0.4424(12) 0.6289(10) 0.9257(8) 0.044(4) Uani 1 1 d . . . . .
H10 H 0.482533 0.643013 0.881083 0.053 Uiso 1 1 calc R U . . .
C38 C 0.9796(10) 0.2155(11) 0.8161(10) 0.054(4) Uani 1 1 d . . . . .
H38 H 0.978540 0.156109 0.813174 0.065 Uiso 1 1 calc R U . . .
C2 C 0.7077(14) 0.6563(11) 0.8194(8) 0.064(5) Uani 1 1 d . . . . .
H2 H 0.696621 0.602450 0.843888 0.077 Uiso 1 1 calc R U . . .
C25 C 0.6662(11) -0.1172(9) 0.4478(8) 0.036(3) Uani 1 1 d . . . . .
H25 H 0.710455 -0.179350 0.465663 0.044 Uiso 1 1 calc R U . . .
C8 C 0.3349(10) 0.5528(9) 0.9873(7) 0.036(3) Uani 1 1 d . U . . .
H8 H 0.300810 0.511548 0.986535 0.043 Uiso 1 1 calc R U . . .
C20 C 0.6628(11) -0.0196(10) 0.9514(9) 0.052(4) Uani 1 1 d . . . . .
H20 H 0.691950 -0.036736 0.898781 0.062 Uiso 1 1 calc R U . . .
O1W O 0.4030(11) 0.7432(8) 0.7073(8) 0.101(4) Uani 1 1 d D U . . .
H1WA H 0.365569 0.701858 0.726087 0.151 Uiso 1 1 d DR U . . .
H1WB H 0.467650 0.689223 0.722012 0.151 Uiso 1 1 d DR U . . .
C33 C 0.9126(10) 0.1893(10) 0.4692(9) 0.045(4) Uani 1 1 d . . . . .
C11 C 0.4320(14) 0.6676(11) 1.0010(9) 0.058(4) Uani 1 1 d . . . . .
H11 H 0.466309 0.708097 1.004856 0.069 Uiso 1 1 calc R U . . .
C7 C 0.3286(12) 0.5985(12) 1.0583(9) 0.058(4) Uani 1 1 d . . . . .
H7 H 0.285596 0.589989 1.103162 0.069 Uiso 1 1 calc R U . . .
C29 C 0.5511(12) -0.0117(10) 0.3503(8) 0.046(4) Uani 1 1 d . . . . .
H29 H 0.512301 0.001156 0.299821 0.055 Uiso 1 1 calc R U . . .
C37 C 1.0685(11) 0.2244(13) 0.8442(12) 0.074(6) Uani 1 1 d . . . . .
H37 H 1.125838 0.168893 0.859694 0.088 Uiso 1 1 calc R U . . .
C28 C 0.5442(12) 0.0646(10) 0.3916(8) 0.044(3) Uani 1 1 d . . . . .
H28 H 0.501610 0.126361 0.370280 0.053 Uiso 1 1 calc R U . . .
C4 C 0.7128(12) 0.7662(10) 0.7013(9) 0.047(4) Uani 1 1 d . . . . .
H4 H 0.705064 0.788870 0.642565 0.057 Uiso 1 1 calc R U . . .
C23 C 0.5901(15) 0.0184(13) 1.1058(9) 0.071(5) Uani 1 1 d . . . . .
H23 H 0.566484 0.033636 1.160348 0.085 Uiso 1 1 calc R U . . .
N1 N 0.7591(15) 0.7830(11) 0.8392(9) 0.090(6) Uani 1 1 d . . . . .
C34 C 0.9296(13) 0.2184(14) 0.3875(11) 0.087(7) Uani 1 1 d . . . . .
H34 H 0.879492 0.269898 0.355260 0.104 Uiso 1 1 calc R U . . .
C32 C 0.9890(12) 0.1156(11) 0.5119(10) 0.057(4) Uani 1 1 d . . . . .
H32 H 0.980267 0.094634 0.569295 0.069 Uiso 1 1 calc R U . . .
N6 N 1.0980(12) 0.0949(14) 0.3942(12) 0.100(6) Uani 1 1 d . . . . .
C5 C 0.7432(13) 0.8104(12) 0.7567(11) 0.061(4) Uani 1 1 d . U . . .
H5 H 0.753550 0.865091 0.734036 0.074 Uiso 1 1 calc R U . . .
C31 C 1.0790(12) 0.0716(12) 0.4717(12) 0.072(5) Uani 1 1 d . . . . .
H31 H 1.130427 0.020687 0.503436 0.086 Uiso 1 1 calc R U . . .
C35 C 1.0231(17) 0.1696(16) 0.3533(14) 0.108(8) Uani 1 1 d . U . . .
H35 H 1.035290 0.190400 0.296622 0.130 Uiso 1 1 calc R U . . .
C1 C 0.7382(18) 0.7060(15) 0.8690(11) 0.098(8) Uani 1 1 d . . . . .
H1 H 0.745281 0.685588 0.928088 0.118 Uiso 1 1 calc R U . . .


_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 O4 2.332(7) . ?
Dy1 O21 2.339(6) . ?
Dy1 O18 2.346(7) . ?
Dy1 O7 2.367(7) . ?
Dy1 O5 2.398(8) . ?
Dy1 O15 2.429(7) 2_666 ?
Dy1 O23 2.450(7) . ?
Dy1 O22 2.476(7) . ?
Dy1 Dy4 3.7635(8) 2_666 ?
Dy1 Dy2 3.7799(8) . ?
Dy1 Dy3 3.8596(7) . ?
Dy3 O17 2.233(6) . ?
Dy3 O19 2.326(6) . ?
Dy3 O14 2.359(7) . ?
Dy3 O3 2.363(7) . ?
Dy3 O18 2.384(7) . ?
Dy3 O2 2.400(7) . ?
Dy3 O15 2.410(7) 2_666 ?
Dy3 O16 2.644(6) . ?
Dy3 Dy2 3.7070(9) . ?
Dy3 Dy4 3.8431(7) 2_666 ?
Dy3 Dy4 3.9214(8) . ?
Dy2 O19 2.334(6) . ?
Dy2 O8 2.337(7) . ?
Dy2 O10 2.361(7) . ?
Dy2 O13 2.394(7) . ?
Dy2 O18 2.395(6) . ?
Dy2 O21 2.402(7) . ?
Dy2 O11 2.434(8) . ?
Dy2 O20 2.437(8) . ?
Dy2 Dy4 3.8275(8) 2_666 ?
Dy4 O17 2.272(6) . ?
Dy4 O19 2.362(6) 2_666 ?
Dy4 O15 2.366(6) . ?
Dy4 O9 2.368(7) 2_666 ?
Dy4 O21 2.388(7) 2_666 ?
Dy4 O1 2.403(7) . ?
Dy4 O6 2.465(7) 2_666 ?
Dy4 O16 2.490(7) . ?
Dy4 H16B 2.5077 . ?
O16 H16B 0.8635 . ?
O16 H16A 0.8556 . ?
O5 C18 1.256(13) . ?
O23 H23A 0.8563 . ?
O23 H23B 0.8563 . ?
O4 C12 1.269(13) . ?
O7 C24 1.264(13) . ?
O3 C12 1.270(13) . ?
O8 C24 1.259(13) . ?
O14 C42 1.231(14) . ?
O13 C42 1.280(13) . ?
O1 C6 1.247(13) . ?
O6 C18 1.255(13) . ?
O22 H22A 0.8555 . ?
O22 H22B 0.8549 . ?
O9 C30 1.241(13) . ?
O10 C30 1.256(13) . ?
O2 C6 1.229(13) . ?
O20 H20A 0.8723 . ?
O20 H20B 0.8735 . ?
C18 C15 1.520(15) . ?
C42 C39 1.489(15) . ?
O12 C36 1.285(15) . ?
O11 C36 1.276(15) . ?
N3 C17 1.330(16) . ?
N3 C13 1.335(16) . ?
C39 C38 1.331(17) . ?
C39 C40 1.394(17) . ?
C14 C13 1.376(17) . ?
C14 C15 1.389(16) . ?
C14 H14 0.9300 . ?
C9 C10 1.366(16) . ?
C9 C8 1.386(14) . ?
C9 C12 1.477(14) . ?
C6 C3 1.530(14) . ?
C24 C21 1.472(14) . ?
C21 C22 1.359(16) . ?
C21 C20 1.377(17) . ?
C15 C16 1.376(16) . ?
C3 C2 1.344(17) . ?
C3 C4 1.393(16) . ?
C16 C17 1.365(17) . ?
C16 H16 0.9300 . ?
N5 C29 1.308(17) . ?
N5 C25 1.326(16) . ?
C26 C27 1.377(15) . ?
C26 C25 1.390(16) . ?
C26 H26 0.9300 . ?
N2 C11 1.287(18) . ?
N2 C7 1.301(17) . ?
N7 C41 1.306(19) . ?
N7 C37 1.33(2) . ?
C27 C28 1.380(16) . ?
C27 C30 1.540(15) . ?
C13 H13 0.9300 . ?
N4 C19 1.279(19) . ?
N4 C23 1.29(2) . ?
C17 H17 0.9300 . ?
C22 C23 1.38(2) . ?
C22 H22 0.9300 . ?
C36 C33 1.510(16) . ?
C19 C20 1.38(2) . ?
C19 H19 0.9300 . ?
C41 C40 1.348(18) . ?
C41 H41 0.9300 . ?
C40 H40 0.9300 . ?
C10 C11 1.373(17) . ?
C10 H10 0.9300 . ?
C38 C37 1.394(19) . ?
C38 H38 0.9300 . ?
C2 C1 1.35(2) . ?
C2 H2 0.9300 . ?
C25 H25 0.9300 . ?
C8 C7 1.381(18) . ?
C8 H8 0.9300 . ?
C20 H20 0.9300 . ?
O1W H1WA 0.9769 . ?
O1W H1WB 0.9733 . ?
C33 C34 1.33(2) . ?
C33 C32 1.34(2) . ?
C11 H11 0.9300 . ?
C7 H7 0.9300 . ?
C29 C28 1.393(18) . ?
C29 H29 0.9300 . ?
C37 H37 0.9300 . ?
C28 H28 0.9300 . ?
C4 C5 1.348(19) . ?
C4 H4 0.9300 . ?
C23 H23 0.9300 . ?
N1 C5 1.30(2) . ?
N1 C1 1.35(2) . ?
C34 C35 1.36(2) . ?
C34 H34 0.9300 . ?
C32 C31 1.353(19) . ?
C32 H32 0.9300 . ?
N6 C31 1.26(2) . ?
N6 C35 1.32(2) . ?
C5 H5 0.9300 . ?
C31 H31 0.9300 . ?
C35 H35 0.9300 . ?
C1 H1 0.9300 . ?

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
O4 Dy1 O21 147.7(2) . . ?
O4 Dy1 O18 80.8(2) . . ?
O21 Dy1 O18 72.8(2) . . ?
O4 Dy1 O7 95.7(3) . . ?
O21 Dy1 O7 94.9(2) . . ?
O18 Dy1 O7 74.6(2) . . ?
O4 Dy1 O5 89.1(3) . . ?
O21 Dy1 O5 99.8(3) . . ?
O18 Dy1 O5 141.2(2) . . ?
O7 Dy1 O5 144.1(2) . . ?
O4 Dy1 O15 82.1(2) . 2_666 ?
O21 Dy1 O15 71.9(2) . 2_666 ?
O18 Dy1 O15 70.7(2) . 2_666 ?
O7 Dy1 O15 145.1(2) . 2_666 ?
O5 Dy1 O15 70.8(2) . 2_666 ?
O4 Dy1 O23 139.0(3) . . ?
O21 Dy1 O23 73.3(2) . . ?
O18 Dy1 O23 132.6(2) . . ?
O7 Dy1 O23 76.5(3) . . ?
O5 Dy1 O23 76.7(3) . . ?
O15 Dy1 O23 126.6(2) 2_666 . ?
O4 Dy1 O22 69.9(3) . . ?
O21 Dy1 O22 142.4(3) . . ?
O18 Dy1 O22 134.6(2) . . ?
O7 Dy1 O22 74.7(3) . . ?
O5 Dy1 O22 73.6(3) . . ?
O15 Dy1 O22 134.6(3) 2_666 . ?
O23 Dy1 O22 69.2(3) . . ?
O4 Dy1 Dy4 119.77(19) . 2_666 ?
O21 Dy1 Dy4 37.69(17) . 2_666 ?
O18 Dy1 Dy4 79.39(15) . 2_666 ?
O7 Dy1 Dy4 131.44(18) . 2_666 ?
O5 Dy1 Dy4 73.44(18) . 2_666 ?
O15 Dy1 Dy4 37.70(15) 2_666 2_666 ?
O23 Dy1 Dy4 93.02(18) . 2_666 ?
O22 Dy1 Dy4 145.35(19) . 2_666 ?
O4 Dy1 Dy2 118.38(18) . . ?
O21 Dy1 Dy2 37.72(17) . . ?
O18 Dy1 Dy2 37.58(15) . . ?
O7 Dy1 Dy2 73.63(17) . . ?
O5 Dy1 Dy2 133.91(18) . . ?
O15 Dy1 Dy2 76.95(16) 2_666 . ?
O23 Dy1 Dy2 98.22(18) . . ?
O22 Dy1 Dy2 147.9(2) . . ?
Dy4 Dy1 Dy2 60.981(12) 2_666 . ?
O4 Dy1 Dy3 70.67(18) . . ?
O21 Dy1 Dy3 76.99(16) . . ?
O18 Dy1 Dy3 35.64(16) . . ?
O7 Dy1 Dy3 109.47(17) . . ?
O5 Dy1 Dy3 105.73(18) . . ?
O15 Dy1 Dy3 36.93(15) 2_666 . ?
O23 Dy1 Dy3 150.09(18) . . ?
O22 Dy1 Dy3 140.58(19) . . ?
Dy4 Dy1 Dy3 60.534(12) 2_666 . ?
Dy2 Dy1 Dy3 58.046(16) . . ?
O17 Dy3 O19 103.7(2) . . ?
O17 Dy3 O14 138.2(3) . . ?
O19 Dy3 O14 82.0(3) . . ?
O17 Dy3 O3 86.7(3) . . ?
O19 Dy3 O3 143.2(2) . . ?
O14 Dy3 O3 113.6(3) . . ?
O17 Dy3 O18 147.4(2) . . ?
O19 Dy3 O18 71.8(2) . . ?
O14 Dy3 O18 74.1(3) . . ?
O3 Dy3 O18 80.5(2) . . ?
O17 Dy3 O2 79.5(3) . . ?
O19 Dy3 O2 143.1(2) . . ?
O14 Dy3 O2 72.9(3) . . ?
O3 Dy3 O2 73.1(3) . . ?
O18 Dy3 O2 124.1(2) . . ?
O17 Dy3 O15 77.9(2) . 2_666 ?
O19 Dy3 O15 68.6(2) . 2_666 ?
O14 Dy3 O15 139.3(3) . 2_666 ?
O3 Dy3 O15 79.6(2) . 2_666 ?
O18 Dy3 O15 70.4(2) . 2_666 ?
O2 Dy3 O15 145.3(3) . 2_666 ?
O17 Dy3 O16 67.9(2) . . ?
O19 Dy3 O16 73.5(2) . . ?
O14 Dy3 O16 74.6(2) . . ?
O3 Dy3 O16 141.4(2) . . ?
O18 Dy3 O16 135.7(2) . . ?
O2 Dy3 O16 73.9(2) . . ?
O15 Dy3 O16 119.9(2) 2_666 . ?
O17 Dy3 Dy2 140.30(18) . . ?
O19 Dy3 Dy2 37.37(15) . . ?
O14 Dy3 Dy2 61.2(2) . . ?
O3 Dy3 Dy2 119.75(18) . . ?
O18 Dy3 Dy2 39.24(15) . . ?
O2 Dy3 Dy2 133.8(2) . . ?
O15 Dy3 Dy2 78.68(17) 2_666 . ?
O16 Dy3 Dy2 97.61(15) . . ?
O17 Dy3 Dy4 81.60(18) . 2_666 ?
O19 Dy3 Dy4 35.24(16) . 2_666 ?
O14 Dy3 Dy4 116.6(2) . 2_666 ?
O3 Dy3 Dy4 115.66(19) . 2_666 ?
O18 Dy3 Dy4 77.26(15) . 2_666 ?
O2 Dy3 Dy4 158.62(18) . 2_666 ?
O15 Dy3 Dy4 36.04(15) 2_666 2_666 ?
O16 Dy3 Dy4 89.75(14) . 2_666 ?
Dy2 Dy3 Dy4 60.889(14) . 2_666 ?
O17 Dy3 Dy1 112.41(17) . . ?
O19 Dy3 Dy1 74.34(15) . . ?
O14 Dy3 Dy1 109.0(2) . . ?
O3 Dy3 Dy1 69.10(18) . . ?
O18 Dy3 Dy1 34.98(16) . . ?
O2 Dy3 Dy1 139.29(18) . . ?
O15 Dy3 Dy1 37.28(16) 2_666 . ?
O16 Dy3 Dy1 146.72(14) . . ?
Dy2 Dy3 Dy1 59.900(14) . . ?
Dy4 Dy3 Dy1 58.495(14) 2_666 . ?
O17 Dy3 Dy4 29.78(16) . . ?
O19 Dy3 Dy4 94.84(15) . . ?
O14 Dy3 Dy4 109.4(2) . . ?
O3 Dy3 Dy4 109.35(18) . . ?
O18 Dy3 Dy4 165.87(15) . . ?
O2 Dy3 Dy4 69.47(18) . . ?
O15 Dy3 Dy4 100.82(16) 2_666 . ?
O16 Dy3 Dy4 38.76(14) . . ?
Dy2 Dy3 Dy4 129.639(17) . . ?
Dy4 Dy3 Dy4 89.148(17) 2_666 . ?
Dy1 Dy3 Dy4 138.023(16) . . ?
O19 Dy2 O8 140.7(2) . . ?
O19 Dy2 O10 94.9(2) . . ?
O8 Dy2 O10 97.0(3) . . ?
O19 Dy2 O13 105.1(3) . . ?
O8 Dy2 O13 89.7(3) . . ?
O10 Dy2 O13 139.1(3) . . ?
O19 Dy2 O18 71.5(2) . . ?
O8 Dy2 O18 77.1(2) . . ?
O10 Dy2 O18 144.3(2) . . ?
O13 Dy2 O18 76.5(3) . . ?
O19 Dy2 O21 69.7(2) . . ?
O8 Dy2 O21 78.1(3) . . ?
O10 Dy2 O21 73.5(2) . . ?
O13 Dy2 O21 146.9(3) . . ?
O18 Dy2 O21 70.8(2) . . ?
O19 Dy2 O11 72.7(3) . . ?
O8 Dy2 O11 146.6(3) . . ?
O10 Dy2 O11 76.3(3) . . ?
O13 Dy2 O11 76.3(3) . . ?
O18 Dy2 O11 126.7(3) . . ?
O21 Dy2 O11 128.6(3) . . ?
O19 Dy2 O20 146.3(3) . . ?
O8 Dy2 O20 72.6(3) . . ?
O10 Dy2 O20 70.7(3) . . ?
O13 Dy2 O20 73.1(3) . . ?
O18 Dy2 O20 136.7(3) . . ?
O21 Dy2 O20 129.7(3) . . ?
O11 Dy2 O20 74.3(3) . . ?
O19 Dy2 Dy3 37.21(15) . . ?
O8 Dy2 Dy3 116.11(18) . . ?
O10 Dy2 Dy3 131.48(19) . . ?
O13 Dy2 Dy3 78.5(2) . . ?
O18 Dy2 Dy3 39.03(16) . . ?
O21 Dy2 Dy3 79.62(16) . . ?
O11 Dy2 Dy3 90.9(2) . . ?
O20 Dy2 Dy3 150.3(2) . . ?
O19 Dy2 Dy1 75.97(16) . . ?
O8 Dy2 Dy1 64.68(19) . . ?
O10 Dy2 Dy1 108.80(19) . . ?
O13 Dy2 Dy1 110.5(2) . . ?
O18 Dy2 Dy1 36.67(15) . . ?
O21 Dy2 Dy1 36.57(15) . . ?
O11 Dy2 Dy1 148.6(2) . . ?
O20 Dy2 Dy1 137.0(2) . . ?
Dy3 Dy2 Dy1 62.054(13) . . ?
O19 Dy2 Dy4 35.65(16) . 2_666 ?
O8 Dy2 Dy4 114.8(2) . 2_666 ?
O10 Dy2 Dy4 73.23(19) . 2_666 ?
O13 Dy2 Dy4 138.8(2) . 2_666 ?
O18 Dy2 Dy4 77.49(16) . 2_666 ?
O21 Dy2 Dy4 36.83(16) . 2_666 ?
O11 Dy2 Dy4 94.8(2) . 2_666 ?
O20 Dy2 Dy4 143.8(2) . 2_666 ?
Dy3 Dy2 Dy4 61.313(12) . 2_666 ?
Dy1 Dy2 Dy4 59.298(15) . 2_666 ?
O17 Dy4 O19 73.9(2) . 2_666 ?
O17 Dy4 O15 110.4(2) . . ?
O19 Dy4 O15 68.8(2) 2_666 . ?
O17 Dy4 O9 81.7(3) . 2_666 ?
O19 Dy4 O9 81.1(3) 2_666 2_666 ?
O15 Dy4 O9 141.8(3) . 2_666 ?
O17 Dy4 O21 139.2(2) . 2_666 ?
O19 Dy4 O21 69.5(2) 2_666 2_666 ?
O15 Dy4 O21 72.2(2) . 2_666 ?
O9 Dy4 O21 75.6(2) 2_666 2_666 ?
O17 Dy4 O1 80.1(2) . . ?
O19 Dy4 O1 145.7(2) 2_666 . ?
O15 Dy4 O1 143.2(3) . . ?
O9 Dy4 O1 73.1(3) 2_666 . ?
O21 Dy4 O1 123.2(2) 2_666 . ?
O17 Dy4 O6 145.0(2) . 2_666 ?
O19 Dy4 O6 138.4(2) 2_666 2_666 ?
O15 Dy4 O6 79.7(2) . 2_666 ?
O9 Dy4 O6 111.7(3) 2_666 2_666 ?
O21 Dy4 O6 75.6(2) 2_666 2_666 ?
O1 Dy4 O6 73.7(3) . 2_666 ?
O17 Dy4 O16 70.2(2) . . ?
O19 Dy4 O16 117.3(2) 2_666 . ?
O15 Dy4 O16 78.0(2) . . ?
O9 Dy4 O16 138.7(2) 2_666 . ?
O21 Dy4 O16 144.2(2) 2_666 . ?
O1 Dy4 O16 72.7(2) . . ?
O6 Dy4 O16 79.9(2) 2_666 . ?
O17 Dy4 Dy1 144.19(18) . 2_666 ?
O19 Dy4 Dy1 76.05(15) 2_666 2_666 ?
O15 Dy4 Dy1 38.90(16) . 2_666 ?
O9 Dy4 Dy1 112.41(19) 2_666 2_666 ?
O21 Dy4 Dy1 36.79(16) 2_666 2_666 ?
O1 Dy4 Dy1 134.75(18) . 2_666 ?
O6 Dy4 Dy1 62.38(17) 2_666 2_666 ?
O16 Dy4 Dy1 108.04(15) . 2_666 ?
O17 Dy4 Dy2 102.44(17) . 2_666 ?
O19 Dy4 Dy2 35.16(15) 2_666 2_666 ?
O15 Dy4 Dy2 76.57(17) . 2_666 ?
O9 Dy4 Dy2 65.3(2) 2_666 2_666 ?
O21 Dy4 Dy2 37.10(17) 2_666 2_666 ?
O1 Dy4 Dy2 137.31(19) . 2_666 ?
O6 Dy4 Dy2 112.55(18) 2_666 2_666 ?
O16 Dy4 Dy2 148.87(15) . 2_666 ?
Dy1 Dy4 Dy2 59.721(14) 2_666 2_666 ?
O17 Dy4 Dy3 83.22(18) . 2_666 ?
O19 Dy4 Dy3 34.62(15) 2_666 2_666 ?
O15 Dy4 Dy3 36.82(16) . 2_666 ?
O9 Dy4 Dy3 115.6(2) 2_666 2_666 ?
O21 Dy4 Dy3 76.87(16) 2_666 2_666 ?
O1 Dy4 Dy3 159.88(18) . 2_666 ?
O6 Dy4 Dy3 115.89(17) 2_666 2_666 ?
O16 Dy4 Dy3 91.08(15) . 2_666 ?
Dy1 Dy4 Dy3 60.970(14) 2_666 2_666 ?
Dy2 Dy4 Dy3 57.799(15) 2_666 2_666 ?
O17 Dy4 Dy3 29.22(17) . . ?
O19 Dy4 Dy3 96.16(15) 2_666 . ?
O15 Dy4 Dy3 102.44(16) . . ?
O9 Dy4 Dy3 103.69(19) 2_666 . ?
O21 Dy4 Dy3 165.61(17) 2_666 . ?
O1 Dy4 Dy3 69.15(18) . . ?
O6 Dy4 Dy3 117.15(18) 2_666 . ?
O16 Dy4 Dy3 41.67(14) . . ?
Dy1 Dy4 Dy3 141.038(17) 2_666 . ?
Dy2 Dy4 Dy3 129.257(17) 2_666 . ?
Dy3 Dy4 Dy3 90.852(17) 2_666 . ?
O17 Dy4 H16B 71.5 . . ?
O19 Dy4 H16B 133.7 2_666 . ?
O15 Dy4 H16B 95.8 . . ?
O9 Dy4 H16B 122.3 2_666 . ?
O21 Dy4 H16B 149.1 2_666 . ?
O1 Dy4 H16B 52.9 . . ?
O6 Dy4 H16B 74.2 2_666 . ?
O16 Dy4 H16B 19.9 . . ?
Dy1 Dy4 H16B 119.3 2_666 . ?
Dy2 Dy4 H16B 168.2 2_666 . ?
Dy3 Dy4 H16B 110.8 2_666 . ?
Dy3 Dy4 H16B 42.9 . . ?
Dy3 O17 Dy4 121.0(3) . . ?
Dy3 O19 Dy2 105.4(2) . . ?
Dy3 O19 Dy4 110.1(3) . 2_666 ?
Dy2 O19 Dy4 109.2(2) . 2_666 ?
Dy4 O16 Dy3 99.6(2) . . ?
Dy4 O16 H16B 81.2 . . ?
Dy3 O16 H16B 84.1 . . ?
Dy4 O16 H16A 142.0 . . ?
Dy3 O16 H16A 117.6 . . ?
H16B O16 H16A 108.6 . . ?
Dy1 O18 Dy3 109.4(3) . . ?
Dy1 O18 Dy2 105.7(2) . . ?
Dy3 O18 Dy2 101.7(2) . . ?
Dy4 O15 Dy3 107.1(3) . 2_666 ?
Dy4 O15 Dy1 103.4(3) . 2_666 ?
Dy3 O15 Dy1 105.8(2) 2_666 2_666 ?
C18 O5 Dy1 118.9(7) . . ?
Dy1 O23 H23A 109.5 . . ?
Dy1 O23 H23B 109.5 . . ?
H23A O23 H23B 104.2 . . ?
Dy1 O21 Dy4 105.5(3) . 2_666 ?
Dy1 O21 Dy2 105.7(3) . . ?
Dy4 O21 Dy2 106.1(3) 2_666 . ?
C12 O4 Dy1 135.8(7) . . ?
C24 O7 Dy1 127.6(6) . . ?
C12 O3 Dy3 136.2(7) . . ?
C24 O8 Dy2 140.9(7) . . ?
C42 O14 Dy3 147.5(8) . . ?
C42 O13 Dy2 118.2(7) . . ?
C6 O1 Dy4 135.9(7) . . ?
C18 O6 Dy4 132.8(7) . 2_666 ?
Dy1 O22 H22A 109.8 . . ?
Dy1 O22 H22B 109.2 . . ?
H22A O22 H22B 104.2 . . ?
C30 O9 Dy4 139.2(7) . 2_666 ?
C30 O10 Dy2 128.5(7) . . ?
C6 O2 Dy3 136.3(7) . . ?
Dy2 O20 H20A 110.2 . . ?
Dy2 O20 H20B 110.7 . . ?
H20A O20 H20B 103.4 . . ?
O6 C18 O5 126.6(10) . . ?
O6 C18 C15 118.3(10) . . ?
O5 C18 C15 115.1(10) . . ?
O14 C42 O13 123.8(10) . . ?
O14 C42 C39 119.5(11) . . ?
O13 C42 C39 116.6(10) . . ?
C36 O11 Dy2 141.2(8) . . ?
C17 N3 C13 115.8(10) . . ?
C38 C39 C40 116.1(12) . . ?
C38 C39 C42 123.7(12) . . ?
C40 C39 C42 120.0(11) . . ?
C13 C14 C15 117.4(12) . . ?
C13 C14 H14 121.3 . . ?
C15 C14 H14 121.3 . . ?
C10 C9 C8 116.2(10) . . ?
C10 C9 C12 122.4(10) . . ?
C8 C9 C12 121.2(10) . . ?
O2 C6 O1 128.1(10) . . ?
O2 C6 C3 114.9(10) . . ?
O1 C6 C3 117.0(9) . . ?
O8 C24 O7 122.9(10) . . ?
O8 C24 C21 118.6(11) . . ?
O7 C24 C21 118.5(10) . . ?
C22 C21 C20 115.1(12) . . ?
C22 C21 C24 123.6(11) . . ?
C20 C21 C24 121.3(11) . . ?
C16 C15 C14 119.2(11) . . ?
C16 C15 C18 120.7(10) . . ?
C14 C15 C18 120.0(10) . . ?
O4 C12 O3 124.5(10) . . ?
O4 C12 C9 118.9(9) . . ?
O3 C12 C9 116.6(10) . . ?
C2 C3 C4 117.7(11) . . ?
C2 C3 C6 121.9(11) . . ?
C4 C3 C6 120.3(10) . . ?
C17 C16 C15 117.9(12) . . ?
C17 C16 H16 121.1 . . ?
C15 C16 H16 121.1 . . ?
C29 N5 C25 117.2(11) . . ?
C27 C26 C25 116.8(11) . . ?
C27 C26 H26 121.6 . . ?
C25 C26 H26 121.6 . . ?
C11 N2 C7 116.0(12) . . ?
C41 N7 C37 114.2(12) . . ?
C26 C27 C28 120.4(11) . . ?
C26 C27 C30 120.1(10) . . ?
C28 C27 C30 119.4(11) . . ?
N3 C13 C14 124.5(12) . . ?
N3 C13 H13 117.7 . . ?
C14 C13 H13 117.7 . . ?
C19 N4 C23 117.1(14) . . ?
N3 C17 C16 125.0(12) . . ?
N3 C17 H17 117.5 . . ?
C16 C17 H17 117.5 . . ?
C21 C22 C23 120.0(15) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
O9 C30 O10 126.3(10) . . ?
O9 C30 C27 117.1(10) . . ?
O10 C30 C27 116.5(10) . . ?
O11 C36 O12 126.1(11) . . ?
O11 C36 C33 116.7(12) . . ?
O12 C36 C33 117.1(12) . . ?
N4 C19 C20 123.9(15) . . ?
N4 C19 H19 118.0 . . ?
C20 C19 H19 118.0 . . ?
N7 C41 C40 124.4(15) . . ?
N7 C41 H41 117.8 . . ?
C40 C41 H41 117.8 . . ?
C41 C40 C39 121.0(13) . . ?
C41 C40 H40 119.5 . . ?
C39 C40 H40 119.5 . . ?
C9 C10 C11 119.1(12) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
C39 C38 C37 118.6(15) . . ?
C39 C38 H38 120.7 . . ?
C37 C38 H38 120.7 . . ?
C3 C2 C1 119.0(14) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
N5 C25 C26 124.2(12) . . ?
N5 C25 H25 117.9 . . ?
C26 C25 H25 117.9 . . ?
C7 C8 C9 118.8(12) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 H8 120.6 . . ?
C19 C20 C21 120.0(14) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
H1WA O1W H1WB 88.4 . . ?
C34 C33 C32 117.8(14) . . ?
C34 C33 C36 121.0(14) . . ?
C32 C33 C36 121.2(13) . . ?
N2 C11 C10 125.4(14) . . ?
N2 C11 H11 117.3 . . ?
C10 C11 H11 117.3 . . ?
N2 C7 C8 124.3(13) . . ?
N2 C7 H7 117.8 . . ?
C8 C7 H7 117.8 . . ?
N5 C29 C28 124.5(13) . . ?
N5 C29 H29 117.7 . . ?
C28 C29 H29 117.7 . . ?
N7 C37 C38 125.6(15) . . ?
N7 C37 H37 117.2 . . ?
C38 C37 H37 117.2 . . ?
C27 C28 C29 116.8(13) . . ?
C27 C28 H28 121.6 . . ?
C29 C28 H28 121.6 . . ?
C5 C4 C3 118.2(13) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
N4 C23 C22 123.8(15) . . ?
N4 C23 H23 118.1 . . ?
C22 C23 H23 118.1 . . ?
C5 N1 C1 114.5(13) . . ?
C33 C34 C35 117.4(17) . . ?
C33 C34 H34 121.3 . . ?
C35 C34 H34 121.3 . . ?
C33 C32 C31 120.2(15) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C31 N6 C35 114.9(15) . . ?
N1 C5 C4 125.6(15) . . ?
N1 C5 H5 117.2 . . ?
C4 C5 H5 117.2 . . ?
N6 C31 C32 124.5(16) . . ?
N6 C31 H31 117.8 . . ?
C32 C31 H31 117.8 . . ?
N6 C35 C34 125.2(18) . . ?
N6 C35 H35 117.4 . . ?
C34 C35 H35 117.4 . . ?
N1 C1 C2 124.8(16) . . ?
N1 C1 H1 117.6 . . ?
C2 C1 H1 117.6 . . ?

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
Dy4 O6 C18 O5 -32.8(16) 2_666 . . . ?
Dy4 O6 C18 C15 148.3(7) 2_666 . . . ?
Dy1 O5 C18 O6 -26.0(14) . . . . ?
Dy1 O5 C18 C15 152.9(7) . . . . ?
Dy3 O14 C42 O13 32(2) . . . . ?
Dy3 O14 C42 C39 -150.4(11) . . . . ?
Dy2 O13 C42 O14 12.7(15) . . . . ?
Dy2 O13 C42 C39 -164.7(7) . . . . ?
O14 C42 C39 C38 -158.3(13) . . . . ?
O13 C42 C39 C38 19.2(18) . . . . ?
O14 C42 C39 C40 17.5(17) . . . . ?
O13 C42 C39 C40 -165.0(11) . . . . ?
Dy3 O2 C6 O1 -9(2) . . . . ?
Dy3 O2 C6 C3 170.5(7) . . . . ?
Dy4 O1 C6 O2 15.3(19) . . . . ?
Dy4 O1 C6 C3 -164.4(7) . . . . ?
Dy2 O8 C24 O7 34.6(18) . . . . ?
Dy2 O8 C24 C21 -145.6(9) . . . . ?
Dy1 O7 C24 O8 7.0(15) . . . . ?
Dy1 O7 C24 C21 -172.8(7) . . . . ?
O8 C24 C21 C22 169.2(12) . . . . ?
O7 C24 C21 C22 -11.0(18) . . . . ?
O8 C24 C21 C20 -12.2(17) . . . . ?
O7 C24 C21 C20 167.6(11) . . . . ?
C13 C14 C15 C16 2.5(18) . . . . ?
C13 C14 C15 C18 179.6(11) . . . . ?
O6 C18 C15 C16 -133.2(11) . . . . ?
O5 C18 C15 C16 47.8(14) . . . . ?
O6 C18 C15 C14 49.7(15) . . . . ?
O5 C18 C15 C14 -129.3(12) . . . . ?
Dy1 O4 C12 O3 21.7(17) . . . . ?
Dy1 O4 C12 C9 -158.9(7) . . . . ?
Dy3 O3 C12 O4 -27.4(17) . . . . ?
Dy3 O3 C12 C9 153.3(8) . . . . ?
C10 C9 C12 O4 175.9(11) . . . . ?
C8 C9 C12 O4 1.0(17) . . . . ?
C10 C9 C12 O3 -4.7(17) . . . . ?
C8 C9 C12 O3 -179.5(11) . . . . ?
O2 C6 C3 C2 1.2(19) . . . . ?
O1 C6 C3 C2 -179.1(14) . . . . ?
O2 C6 C3 C4 -178.9(12) . . . . ?
O1 C6 C3 C4 0.8(17) . . . . ?
C14 C15 C16 C17 -4.4(18) . . . . ?
C18 C15 C16 C17 178.5(11) . . . . ?
C25 C26 C27 C28 2.2(17) . . . . ?
C25 C26 C27 C30 179.3(10) . . . . ?
C17 N3 C13 C14 -0.5(19) . . . . ?
C15 C14 C13 N3 0(2) . . . . ?
C13 N3 C17 C16 -1.7(19) . . . . ?
C15 C16 C17 N3 4(2) . . . . ?
C20 C21 C22 C23 2(2) . . . . ?
C24 C21 C22 C23 -179.5(14) . . . . ?
Dy4 O9 C30 O10 -31(2) 2_666 . . . ?
Dy4 O9 C30 C27 146.3(8) 2_666 . . . ?
Dy2 O10 C30 O9 -3.0(17) . . . . ?
Dy2 O10 C30 C27 179.4(6) . . . . ?
C26 C27 C30 O9 177.3(10) . . . . ?
C28 C27 C30 O9 -5.5(16) . . . . ?
C26 C27 C30 O10 -4.8(15) . . . . ?
C28 C27 C30 O10 172.3(11) . . . . ?
Dy2 O11 C36 O12 15(2) . . . . ?
Dy2 O11 C36 C33 -168.8(9) . . . . ?
C23 N4 C19 C20 -2(3) . . . . ?
C37 N7 C41 C40 -2(2) . . . . ?
N7 C41 C40 C39 2(2) . . . . ?
C38 C39 C40 C41 -1.2(19) . . . . ?
C42 C39 C40 C41 -177.3(11) . . . . ?
C8 C9 C10 C11 0(2) . . . . ?
C12 C9 C10 C11 -175.1(13) . . . . ?
C40 C39 C38 C37 0(2) . . . . ?
C42 C39 C38 C37 176.1(14) . . . . ?
C4 C3 C2 C1 1(3) . . . . ?
C6 C3 C2 C1 -179.2(17) . . . . ?
C29 N5 C25 C26 4.0(19) . . . . ?
C27 C26 C25 N5 -3.9(18) . . . . ?
C10 C9 C8 C7 1.8(19) . . . . ?
C12 C9 C8 C7 177.0(13) . . . . ?
N4 C19 C20 C21 0(3) . . . . ?
C22 C21 C20 C19 0(2) . . . . ?
C24 C21 C20 C19 -178.8(13) . . . . ?
O11 C36 C33 C34 168.8(16) . . . . ?
O12 C36 C33 C34 -15(2) . . . . ?
O11 C36 C33 C32 -9(2) . . . . ?
O12 C36 C33 C32 167.0(14) . . . . ?
C7 N2 C11 C10 -2(3) . . . . ?
C9 C10 C11 N2 0(3) . . . . ?
C11 N2 C7 C8 4(2) . . . . ?
C9 C8 C7 N2 -4(2) . . . . ?
C25 N5 C29 C28 -2(2) . . . . ?
C41 N7 C37 C38 1(3) . . . . ?
C39 C38 C37 N7 0(3) . . . . ?
C26 C27 C28 C29 -0.8(18) . . . . ?
C30 C27 C28 C29 -178.0(11) . . . . ?
N5 C29 C28 C27 1(2) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
C6 C3 C4 C5 179.2(13) . . . . ?
C19 N4 C23 C22 4(3) . . . . ?
C21 C22 C23 N4 -4(3) . . . . ?
C32 C33 C34 C35 1(3) . . . . ?
C36 C33 C34 C35 -177.2(18) . . . . ?
C34 C33 C32 C31 -2(3) . . . . ?
C36 C33 C32 C31 176.7(15) . . . . ?
C1 N1 C5 C4 -3(3) . . . . ?
C3 C4 C5 N1 2(3) . . . . ?
C35 N6 C31 C32 2(4) . . . . ?
C33 C32 C31 N6 0(3) . . . . ?
C31 N6 C35 C34 -2(4) . . . . ?
C33 C34 C35 N6 1(4) . . . . ?
C5 N1 C1 C2 3(4) . . . . ?
C3 C2 C1 N1 -2(3) . . . . ?

_refine_diff_density_max         3.875
_refine_diff_density_min         -1.872
_refine_diff_density_rms         0.276



