# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_mo_1219_1_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 1937470'
loop_
_audit_author_name
_audit_author_address
ting
;guangxishifandaxue
China
;
_audit_update_record             
;
2019-07-01 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
_audit_creation_date             2019-03-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C71 H53 Dy5 N16 O22, 2(C H4 O)'
_chemical_formula_sum            'C73 H61 Dy5 N16 O24'
_chemical_formula_weight         2358.87
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.3966(8)
_cell_length_b                   17.1849(9)
_cell_length_c                   20.4428(10)
_cell_angle_alpha                111.135(2)
_cell_angle_beta                 90.178(2)
_cell_angle_gamma                101.146(2)
_cell_volume                     4934.2(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9233
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   0.618
_shelx_estimated_absorpt_T_min   0.405
_exptl_absorpt_coefficient_mu    3.809
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6377
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0884 before and 0.0689 after correction.
The Ratio of minimum to maximum transmission is 0.8555.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2266
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0831
_diffrn_reflns_av_unetI/netI     0.0645
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            97397
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.474
_diffrn_reflns_theta_min         2.143
_diffrn_ambient_temperature      150.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13248
_reflns_number_total             20341
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         4.575
_refine_diff_density_min         -2.643
_refine_diff_density_rms         0.277
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1077
_refine_ls_number_reflns         20341
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.1237
_refine_ls_R_factor_gt           0.0668
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0763P)²+132.5444P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1562
_refine_ls_wR_factor_ref         0.2054
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O22-H22
 0.87 with sigma of 0.01
 H22-H23
 2.2 with sigma of 0.02
 C71-H22
 1.956966 with sigma of 0.02
 Dy1-H22
 2.958828 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C29 \\sim C30 \\sim C25: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C67 \\sim C68: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C54) \\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C4)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C37) \\sim Ueq, Uanis(C21) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C67) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C21) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Rotating group:
 O20(H20A,H20B)
4.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C10(H10), C41(H41), C19(H19), C40(H40), C11(H11), C20(H20), C15(H15),
 C59(H59), C52(H52), C16(H16), C51(H51), C45(H45), C3(H3), C2(H2), C37(H37),
 C54(H54), C24(H24), C46(H46), C5(H5), C56(H56), C32(H32), C57(H57), C4(H4),
 C58(H58), C34(H34), C29(H29), C33(H33), C35(H35), C28(H28), C26(H26), C27(H27)
4.c Idealised Me refined as rotating group:
 C65(H65A,H65B,H65C), C71(H71A,H71B,H71C), C67(H67A,H67B,H67C), C63(H63A,H63B,
 H63C), C61(H61A,H61B,H61C), C72(H72A,H72B,H72C), C73(H73A,H73B,H73C), C69(H69A,
 H69B,H69C)
4.d Idealised tetrahedral OH refined as rotating group:
 O24(H24A), O23(H23)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.66640(4) 0.71428(4) 0.37756(3) 0.02388(14) Uani 1 1 d D . . . .
Dy2 Dy 0.65990(4) 0.51219(4) 0.16198(3) 0.02310(14) Uani 1 1 d . . . . .
Dy3 Dy 0.53289(4) 0.68770(4) 0.21214(3) 0.02452(14) Uani 1 1 d . . . . .
Dy4 Dy 0.64312(4) 0.45421(4) 0.33165(3) 0.02664(15) Uani 1 1 d . . . . .
Dy5 Dy 0.89424(4) 0.80631(4) 0.29798(3) 0.02671(15) Uani 1 1 d . . . . .
O19 O 0.6591(5) 0.6489(5) 0.2504(4) 0.0219(17) Uani 1 1 d . . . . .
O16 O 0.7455(5) 0.5837(5) 0.3434(5) 0.0293(19) Uani 1 1 d . . . . .
O6 O 0.7669(5) 0.8344(5) 0.3647(5) 0.0282(19) Uani 1 1 d . . . . .
O21 O 0.5493(5) 0.7416(6) 0.3298(4) 0.0279(19) Uani 1 1 d . . . . .
O15 O 0.8282(5) 0.6988(5) 0.3410(4) 0.0268(18) Uani 1 1 d . . . . .
O20 O 0.5395(5) 0.3964(5) 0.0996(4) 0.0242(18) Uani 1 1 d . . . . .
H20A H 0.544560 0.349700 0.107329 0.036 Uiso 1 1 d GR . . . .
H20B H 0.543186 0.381603 0.053541 0.036 Uiso 1 1 d GR . . . .
O9 O 0.9225(5) 0.6832(6) 0.2083(5) 0.030(2) Uani 1 1 d . . . . .
O3 O 0.7003(5) 0.4280(5) 0.2193(4) 0.0254(18) Uani 1 1 d . . . . .
O2 O 0.5847(6) 0.5894(5) 0.1167(4) 0.0270(19) Uani 1 1 d . . . . .
O14 O 0.5547(5) 0.4859(5) 0.2452(4) 0.0254(18) Uani 1 1 d . . . . .
O7 O 0.5920(6) 0.5843(5) 0.3918(4) 0.0279(19) Uani 1 1 d . . . . .
O1 O 0.4190(5) 0.7524(6) 0.2210(5) 0.031(2) Uani 1 1 d . . . . .
O12 O 0.6400(5) 0.7930(5) 0.1963(5) 0.0268(18) Uani 1 1 d . . . . .
O13 O 0.4644(5) 0.5577(6) 0.2193(5) 0.031(2) Uani 1 1 d . . . . .
O10 O 0.8008(6) 0.5793(6) 0.1721(5) 0.031(2) Uani 1 1 d . . . . .
O11 O 0.7755(6) 0.7726(6) 0.2132(5) 0.033(2) Uani 1 1 d . . . . .
O4 O 0.7054(6) 0.4678(6) 0.4324(5) 0.035(2) Uani 1 1 d . . . . .
O5 O 0.9791(6) 0.8701(6) 0.2382(5) 0.037(2) Uani 1 1 d . . . . .
O8 O 0.5742(6) 0.3161(5) 0.2818(5) 0.033(2) Uani 1 1 d . . . . .
O17 O 1.0285(6) 0.7842(7) 0.3451(5) 0.038(2) Uani 1 1 d . . . . .
N2 N 0.5340(6) 0.6328(6) 0.0328(5) 0.025(2) Uani 1 1 d . . . . .
O22 O 0.7513(7) 0.7447(6) 0.4856(5) 0.040(2) Uani 1 1 d D . . . .
H22 H 0.782(5) 0.7962(14) 0.509(3) 0.060 Uiso 1 1 d DR . . . .
N6 N 0.7418(6) 0.3980(6) 0.0915(5) 0.023(2) Uani 1 1 d . . . . .
N1 N 0.4902(6) 0.6821(6) 0.0908(5) 0.023(2) Uani 1 1 d . . . . .
N12 N 0.5479(7) 0.7296(6) 0.4689(6) 0.028(2) Uani 1 1 d . . . . .
N9 N 0.6512(6) 0.8673(7) 0.4591(5) 0.025(2) Uani 1 1 d . . . . .
N3 N 0.6728(6) 0.4903(6) 0.0318(5) 0.023(2) Uani 1 1 d . . . . .
N14 N 0.4972(7) 0.4351(7) 0.3841(5) 0.029(2) Uani 1 1 d . . . . .
O18 O 0.9574(6) 0.8714(6) 0.4195(5) 0.041(2) Uani 1 1 d . . . . .
N13 N 0.4701(7) 0.5089(7) 0.4261(6) 0.029(2) Uani 1 1 d . . . . .
N8 N 0.8148(7) 0.9799(7) 0.3875(6) 0.030(2) Uani 1 1 d . . . . .
N5 N 0.8735(6) 0.2629(7) -0.1234(6) 0.030(2) Uani 1 1 d . . . . .
N10 N 0.4927(7) 1.0492(7) 0.6320(6) 0.033(2) Uani 1 1 d . . . . .
C8 C 0.5804(7) 0.5907(7) 0.0534(6) 0.023(2) Uani 1 1 d . . . . .
O24 O 0.3663(9) 0.7645(7) 0.3575(6) 0.058(3) Uani 1 1 d . . . . .
H24A H 0.374218 0.764868 0.317008 0.087 Uiso 1 1 calc GR . . . .
N7 N 0.8753(7) 0.9571(7) 0.3358(6) 0.033(3) Uani 1 1 d . . . . .
C9 C 0.6337(8) 0.5346(8) 0.0034(6) 0.025(3) Uani 1 1 d . . . . .
C66 C 0.8219(8) 0.6225(8) 0.3368(6) 0.023(2) Uani 1 1 d . . . . .
N4 N 0.8022(7) 0.3622(7) -0.1847(6) 0.033(3) Uani 1 1 d . . . . .
N15 N 0.7982(8) 0.3507(8) 0.2374(6) 0.038(3) Uani 1 1 d . . . . .
N16 N 0.7774(7) 0.3854(8) 0.3089(6) 0.034(3) Uani 1 1 d . . . . .
C21 C 0.7786(7) 0.3519(7) 0.1216(6) 0.019(2) Uani 1 1 d . U . . .
N11 N 0.3750(8) 0.9022(8) 0.6340(6) 0.036(3) Uani 1 1 d . . . . .
C64 C 0.7234(8) 0.8100(8) 0.1933(7) 0.027(3) Uani 1 1 d . . . . .
C68 C 0.4761(9) 0.4988(8) 0.2373(6) 0.027(3) Uani 1 1 d . U . . .
C7 C 0.4456(8) 0.7300(8) 0.0732(6) 0.027(3) Uani 1 1 d . . . . .
H7 H 0.445243 0.726152 0.025679 0.032 Uiso 1 1 calc R . . . .
C42 C 0.5741(8) 0.9608(8) 0.5453(6) 0.026(3) Uani 1 1 d . . . . .
C38 C 0.7660(8) 0.9152(8) 0.3972(7) 0.032(3) Uani 1 1 d . . . . .
C43 C 0.5875(8) 0.8804(8) 0.5052(6) 0.025(3) Uani 1 1 d . . . . .
C44 C 0.5014(8) 0.9703(8) 0.5924(6) 0.029(3) Uani 1 1 d . . . . .
C13 C 0.7209(7) 0.4353(8) -0.0086(6) 0.023(2) Uani 1 1 d . . . . .
C49 C 0.5292(8) 0.8044(8) 0.5085(6) 0.026(3) Uani 1 1 d . . . . .
C39 C 0.7011(8) 0.9350(8) 0.4515(6) 0.024(3) Uani 1 1 d . . . . .
C22 C 0.7588(8) 0.3863(8) 0.0241(7) 0.028(3) Uani 1 1 d . . . . .
C10 C 0.6428(8) 0.5291(9) -0.0655(6) 0.031(3) Uani 1 1 d . . . . .
H10 H 0.613927 0.561526 -0.084204 0.038 Uiso 1 1 calc R . . . .
O23 O 0.8678(9) 0.8862(9) 0.5363(8) 0.078(4) Uani 1 1 d . . . . .
H23 H 0.891516 0.896485 0.502512 0.117 Uiso 1 1 calc DGR . . . .
C12 C 0.7354(7) 0.4286(8) -0.0775(6) 0.024(3) Uani 1 1 d . . . . .
C47 C 0.4452(8) 0.8963(8) 0.5939(7) 0.029(3) Uani 1 1 d . . . . .
C23 C 0.7576(8) 0.3789(8) 0.1980(7) 0.029(3) Uani 1 1 d . . . . .
C1 C 0.3847(8) 0.7972(9) 0.1904(7) 0.032(3) Uani 1 1 d . . . . .
C41 C 0.6306(9) 1.0323(8) 0.5383(6) 0.030(3) Uani 1 1 d . . . . .
H41 H 0.624969 1.088426 0.566481 0.036 Uiso 1 1 calc R . . . .
C62 C 0.8834(8) 0.6106(8) 0.1711(7) 0.032(3) Uani 1 1 d . . . . .
C19 C 0.8458(9) 0.2830(8) 0.0212(7) 0.033(3) Uani 1 1 d . . . . .
H19 H 0.881431 0.243636 -0.002683 0.040 Uiso 1 1 calc R . . . .
C14 C 0.7892(8) 0.3686(8) -0.1172(7) 0.027(3) Uani 1 1 d . . . . .
C6 C 0.3971(8) 0.7878(9) 0.1197(8) 0.035(3) Uani 1 1 d . . . . .
C48 C 0.4579(9) 0.8135(8) 0.5497(6) 0.030(3) Uani 1 1 d . . . . .
C53 C 0.5215(8) 0.5778(8) 0.4265(6) 0.027(3) Uani 1 1 d . . . . .
C18 C 0.8107(8) 0.3289(8) -0.0146(7) 0.031(3) Uani 1 1 d . . . . .
C65 C 0.8995(9) 0.5825(10) 0.3250(8) 0.038(3) Uani 1 1 d . . . . .
H65A H 0.901819 0.552354 0.357252 0.058 Uiso 1 1 calc GR . . . .
H65B H 0.953692 0.626623 0.333416 0.058 Uiso 1 1 calc GR . . . .
H65C H 0.894720 0.541995 0.276302 0.058 Uiso 1 1 calc GR . . . .
C40 C 0.6932(8) 1.0198(8) 0.4905(6) 0.027(3) Uani 1 1 d . . . . .
H40 H 0.730474 1.066685 0.483662 0.032 Uiso 1 1 calc R . . . .
C31 C 1.0077(8) 0.9431(9) 0.2307(8) 0.034(3) Uani 1 1 d . . . . .
C50 C 0.4960(8) 0.6592(8) 0.4693(7) 0.028(3) Uani 1 1 d . . . . .
C70 C 1.0176(9) 0.8282(10) 0.4074(7) 0.037(3) Uani 1 1 d . . . . .
C17 C 0.8249(7) 0.3193(8) -0.0876(7) 0.028(3) Uani 1 1 d . . . . .
C11 C 0.6944(8) 0.4758(9) -0.1066(7) 0.030(3) Uani 1 1 d . . . . .
H11 H 0.701868 0.471250 -0.153862 0.036 Uiso 1 1 calc R . . . .
C20 C 0.8291(9) 0.2946(9) 0.0889(7) 0.036(3) Uani 1 1 d . . . . .
H20 H 0.851977 0.263664 0.112673 0.044 Uiso 1 1 calc R . . . .
C15 C 0.8482(9) 0.3039(8) -0.2204(8) 0.034(3) Uani 1 1 d . . . . .
H15 H 0.856987 0.294746 -0.268353 0.041 Uiso 1 1 calc R . . . .
C59 C 0.5137(9) 0.1718(9) 0.2587(8) 0.037(3) Uani 1 1 d . . . . .
H59 H 0.560128 0.154997 0.229761 0.045 Uiso 1 1 calc R . . . .
C52 C 0.4049(8) 0.7361(8) 0.5510(7) 0.030(3) Uani 1 1 d . . . . .
H52 H 0.356533 0.738180 0.579946 0.036 Uiso 1 1 calc R . . . .
C16 C 0.8834(7) 0.2564(8) -0.1885(7) 0.029(3) Uani 1 1 d . . . . .
H16 H 0.916698 0.216723 -0.215847 0.035 Uiso 1 1 calc R . . . .
C60 C 0.5136(9) 0.2591(9) 0.2922(7) 0.033(3) Uani 1 1 d . . . . .
C55 C 0.4469(8) 0.2816(9) 0.3402(7) 0.033(3) Uani 1 1 d . . . . .
C51 C 0.4232(9) 0.6595(8) 0.5113(6) 0.031(3) Uani 1 1 d . . . . .
H51 H 0.388201 0.607693 0.511684 0.037 Uiso 1 1 calc R . . . .
C45 C 0.4255(9) 1.0535(9) 0.6724(7) 0.038(3) Uani 1 1 d . . . . .
H45 H 0.416765 1.107948 0.702164 0.046 Uiso 1 1 calc R . . . .
C3 C 0.2957(8) 0.9015(9) 0.1999(9) 0.042(4) Uani 1 1 d . . . . .
H3 H 0.260191 0.938834 0.227202 0.050 Uiso 1 1 calc R . . . .
C2 C 0.3337(8) 0.8548(10) 0.2279(8) 0.041(4) Uani 1 1 d . . . . .
H2 H 0.325349 0.861632 0.275566 0.049 Uiso 1 1 calc R . . . .
C37 C 0.9145(9) 1.0228(10) 0.3218(8) 0.039(3) Uani 1 1 d . U . . .
H37 H 0.901502 1.076738 0.348100 0.047 Uiso 1 1 calc R . . . .
C71 C 0.7855(12) 0.6845(10) 0.5106(8) 0.052(4) Uani 1 1 d D . . . .
H71A H 0.835428 0.666428 0.483797 0.078 Uiso 1 1 calc GR . . . .
H71B H 0.738122 0.634494 0.503814 0.078 Uiso 1 1 calc GR . . . .
H71C H 0.805444 0.712787 0.560666 0.078 Uiso 1 1 calc GR . . . .
C30 C 0.7728(9) 0.4562(10) 0.4702(9) 0.042(3) Uani 1 1 d . U . . .
C54 C 0.4401(10) 0.3672(9) 0.3813(9) 0.044(4) Uani 1 1 d . U . . .
H54 H 0.390336 0.374993 0.408507 0.053 Uiso 1 1 calc R . . . .
C24 C 0.8342(10) 0.3765(11) 0.3515(9) 0.048(4) Uani 1 1 d . . . . .
H24 H 0.880672 0.348504 0.331460 0.058 Uiso 1 1 calc R . . . .
C67 C 0.3987(10) 0.4393(10) 0.2472(8) 0.042(3) Uani 1 1 d . U . . .
H67A H 0.416358 0.386345 0.244275 0.064 Uiso 1 1 calc GR . . . .
H67B H 0.351369 0.426480 0.210462 0.064 Uiso 1 1 calc GR . . . .
H67C H 0.377218 0.465539 0.293495 0.064 Uiso 1 1 calc GR . . . .
C46 C 0.3663(10) 0.9801(9) 0.6726(8) 0.041(3) Uani 1 1 d . . . . .
H46 H 0.318271 0.986911 0.701783 0.050 Uiso 1 1 calc R . . . .
C5 C 0.3577(10) 0.8380(9) 0.0914(9) 0.042(4) Uani 1 1 d . . . . .
H5 H 0.365686 0.831858 0.043838 0.050 Uiso 1 1 calc R . . . .
C56 C 0.3816(11) 0.2162(9) 0.3479(9) 0.046(4) Uani 1 1 d . . . . .
H56 H 0.336874 0.231975 0.378981 0.055 Uiso 1 1 calc R . . . .
C32 C 1.0711(10) 0.9465(11) 0.1799(10) 0.053(4) Uani 1 1 d . . . . .
H32 H 1.092049 0.896832 0.153038 0.063 Uiso 1 1 calc R . . . .
C63 C 0.7613(10) 0.8766(11) 0.1647(9) 0.049(4) Uani 1 1 d . . . . .
H63A H 0.742557 0.856163 0.114446 0.074 Uiso 1 1 calc GR . . . .
H63B H 0.826219 0.888469 0.171144 0.074 Uiso 1 1 calc GR . . . .
H63C H 0.739909 0.928853 0.189656 0.074 Uiso 1 1 calc GR . . . .
C25 C 0.8318(10) 0.4060(11) 0.4271(9) 0.046(3) Uani 1 1 d . U . . .
C36 C 0.9782(10) 1.0183(10) 0.2672(9) 0.045(4) Uani 1 1 d . . . . .
C57 C 0.3795(10) 0.1314(10) 0.3130(9) 0.047(4) Uani 1 1 d . . . . .
H57 H 0.334546 0.088939 0.319352 0.056 Uiso 1 1 calc R . . . .
C4 C 0.3092(10) 0.8943(9) 0.1291(9) 0.044(4) Uani 1 1 d . U . . .
H4 H 0.284816 0.928133 0.109003 0.053 Uiso 1 1 calc R . . . .
C58 C 0.4465(10) 0.1091(9) 0.2672(8) 0.044(4) Uani 1 1 d . . . . .
H58 H 0.446119 0.050575 0.241608 0.053 Uiso 1 1 calc R . . . .
C61 C 0.9370(11) 0.5508(11) 0.1222(10) 0.067(6) Uani 1 1 d . . . . .
H61A H 0.925058 0.546523 0.073751 0.100 Uiso 1 1 calc GR . . . .
H61B H 0.919788 0.494113 0.124874 0.100 Uiso 1 1 calc GR . . . .
H61C H 1.000433 0.573271 0.136460 0.100 Uiso 1 1 calc GR . . . .
C72 C 0.8651(15) 0.9623(13) 0.5906(12) 0.077(6) Uani 1 1 d . . . . .
H72A H 0.823721 0.990937 0.576184 0.116 Uiso 1 1 calc GR . . . .
H72B H 0.924550 0.999116 0.601776 0.116 Uiso 1 1 calc GR . . . .
H72C H 0.845177 0.950649 0.632260 0.116 Uiso 1 1 calc GR . . . .
C73 C 0.3192(13) 0.6821(13) 0.3523(11) 0.067(5) Uani 1 1 d . . . . .
H73A H 0.273516 0.659761 0.312890 0.100 Uiso 1 1 calc GR . . . .
H73B H 0.291106 0.686456 0.396057 0.100 Uiso 1 1 calc GR . . . .
H73C H 0.360722 0.643568 0.344319 0.100 Uiso 1 1 calc GR . . . .
C69 C 1.0648(14) 0.8271(11) 0.4672(9) 0.066(5) Uani 1 1 d . U . . .
H69A H 1.085404 0.885654 0.500713 0.099 Uiso 1 1 calc GR . . . .
H69B H 1.116051 0.800778 0.452120 0.099 Uiso 1 1 calc GR . . . .
H69C H 1.025442 0.794109 0.489797 0.099 Uiso 1 1 calc GR . . . .
C34 C 1.0742(15) 1.0945(12) 0.2104(13) 0.087(8) Uani 1 1 d . . . . .
H34 H 1.098726 1.146771 0.205041 0.104 Uiso 1 1 calc R . . . .
C29 C 0.7791(12) 0.4828(12) 0.5398(10) 0.060(4) Uani 1 1 d . U . . .
H29 H 0.738606 0.514596 0.566426 0.072 Uiso 1 1 calc R . . . .
C33 C 1.1011(14) 1.0212(13) 0.1704(14) 0.086(8) Uani 1 1 d . . . . .
H33 H 1.141257 1.022705 0.135547 0.103 Uiso 1 1 calc R . . . .
C35 C 1.0134(14) 1.0925(11) 0.2573(13) 0.078(7) Uani 1 1 d . . . . .
H35 H 0.994482 1.143447 0.283914 0.093 Uiso 1 1 calc R . . . .
C28 C 0.8446(14) 0.4636(15) 0.5722(11) 0.076(6) Uani 1 1 d . . . . .
H28 H 0.848779 0.482837 0.622150 0.091 Uiso 1 1 calc R . . . .
C26 C 0.8999(15) 0.391(2) 0.4629(13) 0.102(9) Uani 1 1 d . . . . .
H26 H 0.942613 0.361423 0.436878 0.122 Uiso 1 1 calc R . . . .
C27 C 0.906(2) 0.417(2) 0.5358(14) 0.121(11) Uani 1 1 d . . . . .
H27 H 0.950923 0.403767 0.559990 0.145 Uiso 1 1 calc R . . . .


_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 Dy3 3.7882(8) . ?
Dy1 O19 2.425(7) . ?
Dy1 O16 2.633(9) . ?
Dy1 O6 2.427(8) . ?
Dy1 O21 2.252(8) . ?
Dy1 O15 2.638(8) . ?
Dy1 O7 2.423(8) . ?
Dy1 O22 2.397(10) . ?
Dy1 N12 2.595(10) . ?
Dy1 N9 2.613(10) . ?
Dy2 Dy3 3.7463(8) . ?
Dy2 Dy4 3.9355(8) . ?
Dy2 O19 2.394(8) . ?
Dy2 O20 2.398(8) . ?
Dy2 O3 2.328(8) . ?
Dy2 O2 2.331(8) . ?
Dy2 O14 2.451(8) . ?
Dy2 O10 2.222(8) . ?
Dy2 N6 2.539(9) . ?
Dy2 N3 2.563(10) . ?
Dy3 O19 2.388(8) . ?
Dy3 O21 2.237(8) . ?
Dy3 O2 2.335(8) . ?
Dy3 O1 2.226(8) . ?
Dy3 O12 2.317(8) . ?
Dy3 O13 2.334(9) . ?
Dy3 N1 2.528(10) . ?
Dy4 O16 2.398(8) . ?
Dy4 O3 2.381(8) . ?
Dy4 O14 2.498(8) . ?
Dy4 O7 2.415(8) . ?
Dy4 O4 2.184(9) . ?
Dy4 O8 2.252(8) . ?
Dy4 N14 2.508(10) . ?
Dy4 N16 2.539(11) . ?
Dy5 O6 2.417(8) . ?
Dy5 O15 2.382(8) . ?
Dy5 O9 2.364(8) . ?
Dy5 O11 2.351(9) . ?
Dy5 O5 2.198(9) . ?
Dy5 O17 2.429(9) . ?
Dy5 O18 2.436(10) . ?
Dy5 N7 2.499(10) . ?
Dy5 C70 2.800(14) . ?
O16 C66 1.268(14) . ?
O6 C38 1.309(15) . ?
O15 C66 1.266(14) . ?
O20 H20A 0.8880 . ?
O20 H20B 0.8879 . ?
O9 C62 1.232(15) . ?
O3 C23 1.307(14) . ?
O2 C8 1.303(15) . ?
O14 C68 1.291(15) . ?
O7 C53 1.306(14) . ?
O1 C1 1.329(16) . ?
O12 C64 1.267(14) . ?
O13 C68 1.238(15) . ?
O10 C62 1.285(15) . ?
O11 C64 1.268(15) . ?
O4 C30 1.378(16) . ?
O5 C31 1.310(16) . ?
O8 C60 1.295(16) . ?
O17 C70 1.257(17) . ?
N2 N1 1.442(13) . ?
N2 C8 1.277(15) . ?
O22 H22 0.877(10) . ?
O22 C71 1.482(19) . ?
N6 C21 1.358(15) . ?
N6 C22 1.353(16) . ?
N1 C7 1.307(15) . ?
N12 C49 1.335(16) . ?
N12 C50 1.319(16) . ?
N9 C43 1.355(15) . ?
N9 C39 1.326(16) . ?
N3 C9 1.332(15) . ?
N3 C13 1.355(15) . ?
N14 N13 1.393(14) . ?
N14 C54 1.301(18) . ?
O18 C70 1.267(17) . ?
N13 C53 1.288(16) . ?
N8 N7 1.410(14) . ?
N8 C38 1.294(16) . ?
N5 C17 1.346(15) . ?
N5 C16 1.306(17) . ?
N10 C44 1.338(16) . ?
N10 C45 1.323(17) . ?
C8 C9 1.499(15) . ?
O24 H24A 0.8400 . ?
O24 C73 1.43(2) . ?
N7 C37 1.300(18) . ?
C9 C10 1.387(17) . ?
C66 C65 1.469(16) . ?
N4 C14 1.363(16) . ?
N4 C15 1.336(16) . ?
N15 N16 1.429(15) . ?
N15 C23 1.292(17) . ?
N16 C24 1.300(19) . ?
C21 C23 1.516(17) . ?
C21 C20 1.359(16) . ?
N11 C47 1.355(15) . ?
N11 C46 1.319(18) . ?
C64 C63 1.489(19) . ?
C68 C67 1.479(19) . ?
C7 H7 0.9500 . ?
C7 C6 1.435(17) . ?
C42 C43 1.385(16) . ?
C42 C44 1.472(16) . ?
C42 C41 1.415(18) . ?
C38 C39 1.487(16) . ?
C43 C49 1.459(17) . ?
C44 C47 1.404(17) . ?
C13 C22 1.446(17) . ?
C13 C12 1.393(17) . ?
C49 C48 1.384(17) . ?
C39 C40 1.416(17) . ?
C22 C18 1.409(17) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(17) . ?
O23 H23 0.8400 . ?
O23 C72 1.39(2) . ?
C12 C14 1.462(15) . ?
C12 C11 1.398(17) . ?
C47 C48 1.436(17) . ?
C1 C6 1.41(2) . ?
C1 C2 1.394(18) . ?
C41 H41 0.9500 . ?
C41 C40 1.365(16) . ?
C62 C61 1.526(19) . ?
C19 H19 0.9500 . ?
C19 C18 1.423(18) . ?
C19 C20 1.359(19) . ?
C14 C17 1.391(18) . ?
C6 C5 1.416(19) . ?
C48 C52 1.430(18) . ?
C53 C50 1.486(17) . ?
C18 C17 1.463(19) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C40 H40 0.9500 . ?
C31 C32 1.437(19) . ?
C31 C36 1.402(19) . ?
C50 C51 1.412(16) . ?
C70 C69 1.43(2) . ?
C11 H11 0.9500 . ?
C20 H20 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.392(19) . ?
C59 H59 0.9500 . ?
C59 C60 1.407(19) . ?
C59 C58 1.402(19) . ?
C52 H52 0.9500 . ?
C52 C51 1.359(18) . ?
C16 H16 0.9500 . ?
C60 C55 1.433(17) . ?
C55 C54 1.432(19) . ?
C55 C56 1.410(18) . ?
C51 H51 0.9500 . ?
C45 H45 0.9500 . ?
C45 C46 1.41(2) . ?
C3 H3 0.9500 . ?
C3 C2 1.35(2) . ?
C3 C4 1.43(2) . ?
C2 H2 0.9500 . ?
C37 H37 0.9500 . ?
C37 C36 1.478(18) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C30 C25 1.45(2) . ?
C30 C29 1.32(2) . ?
C54 H54 0.9500 . ?
C24 H24 0.9500 . ?
C24 C25 1.45(2) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C46 H46 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.355(19) . ?
C56 H56 0.9500 . ?
C56 C57 1.37(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.36(2) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C25 C26 1.40(2) . ?
C36 C35 1.37(2) . ?
C57 H57 0.9500 . ?
C57 C58 1.41(2) . ?
C4 H4 0.9500 . ?
C58 H58 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C34 H34 0.9500 . ?
C34 C33 1.37(3) . ?
C34 C35 1.35(2) . ?
C29 H29 0.9500 . ?
C29 C28 1.36(3) . ?
C33 H33 0.9500 . ?
C35 H35 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.41(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.39(3) . ?
C27 H27 0.9500 . ?

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
O19 Dy1 Dy3 37.74(18) . . ?
O19 Dy1 O16 71.4(3) . . ?
O19 Dy1 O6 86.0(3) . . ?
O19 Dy1 O15 72.1(3) . . ?
O19 Dy1 N12 133.7(3) . . ?
O19 Dy1 N9 130.6(3) . . ?
O16 Dy1 Dy3 106.0(2) . . ?
O16 Dy1 O15 48.2(3) . . ?
O6 Dy1 Dy3 88.7(2) . . ?
O6 Dy1 O16 108.9(3) . . ?
O6 Dy1 O15 60.8(3) . . ?
O6 Dy1 N12 123.7(3) . . ?
O6 Dy1 N9 62.4(3) . . ?
O21 Dy1 Dy3 32.3(2) . . ?
O21 Dy1 O19 70.1(3) . . ?
O21 Dy1 O16 134.2(3) . . ?
O21 Dy1 O6 92.2(3) . . ?
O21 Dy1 O15 134.6(3) . . ?
O21 Dy1 O7 98.2(3) . . ?
O21 Dy1 O22 144.2(3) . . ?
O21 Dy1 N12 73.8(3) . . ?
O21 Dy1 N9 74.0(3) . . ?
O15 Dy1 Dy3 106.17(19) . . ?
O7 Dy1 Dy3 98.1(2) . . ?
O7 Dy1 O19 93.9(3) . . ?
O7 Dy1 O16 60.8(3) . . ?
O7 Dy1 O6 168.9(3) . . ?
O7 Dy1 O15 108.6(3) . . ?
O7 Dy1 N12 63.5(3) . . ?
O7 Dy1 N9 124.3(3) . . ?
O22 Dy1 Dy3 174.8(2) . . ?
O22 Dy1 O19 145.4(3) . . ?
O22 Dy1 O16 78.7(3) . . ?
O22 Dy1 O6 87.7(3) . . ?
O22 Dy1 O15 75.2(3) . . ?
O22 Dy1 O7 86.1(3) . . ?
O22 Dy1 N12 76.6(3) . . ?
O22 Dy1 N9 74.3(3) . . ?
N12 Dy1 Dy3 102.4(2) . . ?
N12 Dy1 O16 119.9(3) . . ?
N12 Dy1 O15 151.2(3) . . ?
N12 Dy1 N9 61.3(3) . . ?
N9 Dy1 Dy3 100.8(2) . . ?
N9 Dy1 O16 151.8(3) . . ?
N9 Dy1 O15 115.4(3) . . ?
Dy3 Dy2 Dy4 99.964(17) . . ?
O19 Dy2 Dy3 38.37(18) . . ?
O19 Dy2 Dy4 79.24(19) . . ?
O19 Dy2 O20 130.6(3) . . ?
O19 Dy2 O14 73.9(3) . . ?
O19 Dy2 N6 150.9(3) . . ?
O19 Dy2 N3 122.4(3) . . ?
O20 Dy2 Dy3 97.93(19) . . ?
O20 Dy2 Dy4 92.2(2) . . ?
O20 Dy2 O14 70.5(3) . . ?
O20 Dy2 N6 78.2(3) . . ?
O20 Dy2 N3 74.7(3) . . ?
O3 Dy2 Dy3 133.6(2) . . ?
O3 Dy2 Dy4 33.72(19) . . ?
O3 Dy2 O19 106.9(3) . . ?
O3 Dy2 O20 88.6(3) . . ?
O3 Dy2 O2 165.2(3) . . ?
O3 Dy2 O14 66.0(3) . . ?
O3 Dy2 N6 63.9(3) . . ?
O3 Dy2 N3 126.8(3) . . ?
O2 Dy2 Dy3 36.63(19) . . ?
O2 Dy2 Dy4 134.0(2) . . ?
O2 Dy2 O19 70.0(3) . . ?
O2 Dy2 O20 83.3(3) . . ?
O2 Dy2 O14 99.6(3) . . ?
O2 Dy2 N6 125.8(3) . . ?
O2 Dy2 N3 62.7(3) . . ?
O14 Dy2 Dy3 73.2(2) . . ?
O14 Dy2 Dy4 37.75(19) . . ?
O14 Dy2 N6 120.5(3) . . ?
O14 Dy2 N3 142.7(3) . . ?
O10 Dy2 Dy3 104.2(2) . . ?
O10 Dy2 Dy4 102.6(2) . . ?
O10 Dy2 O19 77.7(3) . . ?
O10 Dy2 O20 150.6(3) . . ?
O10 Dy2 O3 89.9(3) . . ?
O10 Dy2 O2 103.2(3) . . ?
O10 Dy2 O14 134.5(3) . . ?
O10 Dy2 N6 74.9(3) . . ?
O10 Dy2 N3 82.8(3) . . ?
N6 Dy2 Dy3 162.3(2) . . ?
N6 Dy2 Dy4 97.5(2) . . ?
N6 Dy2 N3 63.3(3) . . ?
N3 Dy2 Dy3 99.0(2) . . ?
N3 Dy2 Dy4 158.3(2) . . ?
Dy2 Dy3 Dy1 73.491(16) . . ?
O19 Dy3 Dy1 38.43(17) . . ?
O19 Dy3 Dy2 38.48(18) . . ?
O19 Dy3 N1 128.5(3) . . ?
O21 Dy3 Dy1 32.6(2) . . ?
O21 Dy3 Dy2 104.0(2) . . ?
O21 Dy3 O19 71.0(3) . . ?
O21 Dy3 O2 140.1(3) . . ?
O21 Dy3 O12 96.0(3) . . ?
O21 Dy3 O13 87.7(3) . . ?
O21 Dy3 N1 156.3(3) . . ?
O2 Dy3 Dy1 108.1(2) . . ?
O2 Dy3 Dy2 36.6(2) . . ?
O2 Dy3 O19 70.0(3) . . ?
O2 Dy3 N1 62.7(3) . . ?
O1 Dy3 Dy1 119.4(2) . . ?
O1 Dy3 Dy2 159.5(2) . . ?
O1 Dy3 O19 157.7(3) . . ?
O1 Dy3 O21 86.9(3) . . ?
O1 Dy3 O2 132.2(3) . . ?
O1 Dy3 O12 97.5(3) . . ?
O1 Dy3 O13 101.6(3) . . ?
O1 Dy3 N1 72.5(3) . . ?
O12 Dy3 Dy1 89.4(2) . . ?
O12 Dy3 Dy2 98.6(2) . . ?
O12 Dy3 O19 82.8(3) . . ?
O12 Dy3 O2 87.5(3) . . ?
O12 Dy3 O13 160.7(3) . . ?
O12 Dy3 N1 75.9(3) . . ?
O13 Dy3 Dy1 83.5(2) . . ?
O13 Dy3 Dy2 62.2(2) . . ?
O13 Dy3 O19 80.5(3) . . ?
O13 Dy3 O2 77.8(3) . . ?
O13 Dy3 N1 107.3(3) . . ?
N1 Dy3 Dy1 162.7(2) . . ?
N1 Dy3 Dy2 99.2(2) . . ?
O16 Dy4 Dy2 64.3(2) . . ?
O16 Dy4 O14 85.8(3) . . ?
O16 Dy4 O7 64.4(3) . . ?
O16 Dy4 N14 129.0(3) . . ?
O16 Dy4 N16 85.6(3) . . ?
O3 Dy4 Dy2 32.88(19) . . ?
O3 Dy4 O16 74.9(3) . . ?
O3 Dy4 O14 64.5(3) . . ?
O3 Dy4 O7 120.7(3) . . ?
O3 Dy4 N14 139.6(3) . . ?
O3 Dy4 N16 62.8(3) . . ?
O14 Dy4 Dy2 36.92(18) . . ?
O14 Dy4 N14 83.5(3) . . ?
O14 Dy4 N16 127.0(3) . . ?
O7 Dy4 Dy2 89.2(2) . . ?
O7 Dy4 O14 70.9(3) . . ?
O7 Dy4 N14 64.9(3) . . ?
O7 Dy4 N16 145.1(3) . . ?
O4 Dy4 Dy2 148.1(2) . . ?
O4 Dy4 O16 86.1(3) . . ?
O4 Dy4 O3 131.1(3) . . ?
O4 Dy4 O14 159.2(3) . . ?
O4 Dy4 O7 88.2(3) . . ?
O4 Dy4 O8 105.6(3) . . ?
O4 Dy4 N14 86.8(3) . . ?
O4 Dy4 N16 71.3(3) . . ?
O8 Dy4 Dy2 99.0(2) . . ?
O8 Dy4 O16 157.5(3) . . ?
O8 Dy4 O3 83.0(3) . . ?
O8 Dy4 O14 88.8(3) . . ?
O8 Dy4 O7 133.6(3) . . ?
O8 Dy4 N14 71.8(3) . . ?
O8 Dy4 N16 80.3(3) . . ?
N14 Dy4 Dy2 120.4(2) . . ?
N14 Dy4 N16 138.2(3) . . ?
N16 Dy4 Dy2 93.8(2) . . ?
O6 Dy5 O17 123.6(3) . . ?
O6 Dy5 O18 76.4(3) . . ?
O6 Dy5 N7 65.7(3) . . ?
O6 Dy5 C70 99.3(4) . . ?
O15 Dy5 O6 64.7(3) . . ?
O15 Dy5 O17 81.3(3) . . ?
O15 Dy5 O18 80.0(3) . . ?
O15 Dy5 N7 128.6(3) . . ?
O15 Dy5 C70 77.3(4) . . ?
O9 Dy5 O6 132.6(3) . . ?
O9 Dy5 O15 79.4(3) . . ?
O9 Dy5 O17 76.8(3) . . ?
O9 Dy5 O18 128.2(3) . . ?
O9 Dy5 N7 149.0(4) . . ?
O9 Dy5 C70 101.9(4) . . ?
O11 Dy5 O6 74.9(3) . . ?
O11 Dy5 O15 93.4(3) . . ?
O11 Dy5 O9 77.6(3) . . ?
O11 Dy5 O17 154.4(3) . . ?
O11 Dy5 O18 150.6(3) . . ?
O11 Dy5 N7 86.5(3) . . ?
O11 Dy5 C70 170.6(4) . . ?
O5 Dy5 O6 134.8(3) . . ?
O5 Dy5 O15 160.0(3) . . ?
O5 Dy5 O9 81.9(3) . . ?
O5 Dy5 O11 89.3(4) . . ?
O5 Dy5 O17 87.6(3) . . ?
O5 Dy5 O18 106.6(4) . . ?
O5 Dy5 N7 71.4(3) . . ?
O5 Dy5 C70 99.9(4) . . ?
O17 Dy5 O18 53.3(3) . . ?
O17 Dy5 N7 116.4(4) . . ?
O17 Dy5 C70 26.6(4) . . ?
O18 Dy5 N7 75.9(4) . . ?
O18 Dy5 C70 26.9(4) . . ?
N7 Dy5 C70 98.0(4) . . ?
Dy2 O19 Dy1 138.6(4) . . ?
Dy3 O19 Dy1 103.8(3) . . ?
Dy3 O19 Dy2 103.1(3) . . ?
Dy4 O16 Dy1 111.6(3) . . ?
C66 O16 Dy1 97.7(7) . . ?
C66 O16 Dy4 150.5(8) . . ?
Dy5 O6 Dy1 117.8(3) . . ?
C38 O6 Dy1 126.6(7) . . ?
C38 O6 Dy5 115.1(7) . . ?
Dy3 O21 Dy1 115.1(3) . . ?
Dy5 O15 Dy1 111.3(3) . . ?
C66 O15 Dy1 97.5(7) . . ?
C66 O15 Dy5 146.4(7) . . ?
Dy2 O20 H20A 110.3 . . ?
Dy2 O20 H20B 110.2 . . ?
H20A O20 H20B 103.7 . . ?
C62 O9 Dy5 139.7(8) . . ?
Dy2 O3 Dy4 113.4(3) . . ?
C23 O3 Dy2 124.7(8) . . ?
C23 O3 Dy4 121.3(8) . . ?
Dy2 O2 Dy3 106.8(3) . . ?
C8 O2 Dy2 129.9(7) . . ?
C8 O2 Dy3 122.6(7) . . ?
Dy2 O14 Dy4 105.3(3) . . ?
C68 O14 Dy2 116.1(7) . . ?
C68 O14 Dy4 138.2(7) . . ?
Dy4 O7 Dy1 118.8(3) . . ?
C53 O7 Dy1 124.5(8) . . ?
C53 O7 Dy4 116.6(7) . . ?
C1 O1 Dy3 139.2(8) . . ?
C64 O12 Dy3 138.6(8) . . ?
C68 O13 Dy3 144.3(8) . . ?
C62 O10 Dy2 173.1(9) . . ?
C64 O11 Dy5 138.9(8) . . ?
C30 O4 Dy4 149.9(9) . . ?
C31 O5 Dy5 144.5(8) . . ?
C60 O8 Dy4 141.7(8) . . ?
C70 O17 Dy5 93.4(8) . . ?
C8 N2 N1 109.9(10) . . ?
Dy1 O22 H22 120.5(19) . . ?
C71 O22 Dy1 128.4(8) . . ?
C71 O22 H22 108(2) . . ?
C21 N6 Dy2 121.7(7) . . ?
C22 N6 Dy2 121.2(8) . . ?
C22 N6 C21 116.7(10) . . ?
N2 N1 Dy3 117.6(7) . . ?
C7 N1 Dy3 128.9(8) . . ?
C7 N1 N2 112.2(10) . . ?
C49 N12 Dy1 123.4(8) . . ?
C50 N12 Dy1 117.7(8) . . ?
C50 N12 C49 118.3(11) . . ?
C43 N9 Dy1 122.1(8) . . ?
C39 N9 Dy1 119.9(7) . . ?
C39 N9 C43 117.7(10) . . ?
C9 N3 Dy2 120.1(7) . . ?
C9 N3 C13 119.0(10) . . ?
C13 N3 Dy2 120.9(8) . . ?
N13 N14 Dy4 116.9(7) . . ?
C54 N14 Dy4 132.0(10) . . ?
C54 N14 N13 111.1(11) . . ?
C70 O18 Dy5 92.8(8) . . ?
C53 N13 N14 113.3(10) . . ?
C38 N8 N7 113.6(10) . . ?
C16 N5 C17 115.3(11) . . ?
C45 N10 C44 115.4(12) . . ?
O2 C8 C9 113.9(10) . . ?
N2 C8 O2 125.2(10) . . ?
N2 C8 C9 120.9(11) . . ?
C73 O24 H24A 109.5 . . ?
N8 N7 Dy5 115.2(7) . . ?
C37 N7 Dy5 133.6(9) . . ?
C37 N7 N8 111.0(10) . . ?
N3 C9 C8 113.3(10) . . ?
N3 C9 C10 122.6(11) . . ?
C10 C9 C8 124.1(11) . . ?
O16 C66 C65 122.8(12) . . ?
O15 C66 O16 116.2(10) . . ?
O15 C66 C65 121.0(11) . . ?
C15 N4 C14 115.7(12) . . ?
C23 N15 N16 111.2(11) . . ?
N15 N16 Dy4 117.0(7) . . ?
C24 N16 Dy4 131.5(10) . . ?
C24 N16 N15 111.5(11) . . ?
N6 C21 C23 108.4(9) . . ?
N6 C21 C20 125.2(11) . . ?
C20 C21 C23 126.3(11) . . ?
C46 N11 C47 116.2(12) . . ?
O12 C64 O11 122.9(12) . . ?
O12 C64 C63 118.2(11) . . ?
O11 C64 C63 118.9(11) . . ?
O14 C68 C67 118.8(11) . . ?
O13 C68 O14 121.4(11) . . ?
O13 C68 C67 119.8(12) . . ?
N1 C7 H7 117.3 . . ?
N1 C7 C6 125.5(12) . . ?
C6 C7 H7 117.3 . . ?
C43 C42 C44 120.3(11) . . ?
C43 C42 C41 118.0(11) . . ?
C41 C42 C44 121.7(11) . . ?
O6 C38 C39 116.2(11) . . ?
N8 C38 O6 127.6(12) . . ?
N8 C38 C39 116.3(11) . . ?
N9 C43 C42 123.2(11) . . ?
N9 C43 C49 116.4(10) . . ?
C42 C43 C49 120.3(11) . . ?
N10 C44 C42 118.3(11) . . ?
N10 C44 C47 123.3(11) . . ?
C47 C44 C42 118.5(11) . . ?
N3 C13 C22 116.6(11) . . ?
N3 C13 C12 121.5(11) . . ?
C12 C13 C22 121.9(11) . . ?
N12 C49 C43 116.3(10) . . ?
N12 C49 C48 124.6(12) . . ?
C48 C49 C43 119.1(11) . . ?
N9 C39 C38 114.6(10) . . ?
N9 C39 C40 123.4(10) . . ?
C40 C39 C38 121.9(11) . . ?
N6 C22 C13 117.6(11) . . ?
N6 C22 C18 122.9(12) . . ?
C18 C22 C13 119.6(12) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 C9 119.1(12) . . ?
C11 C10 H10 120.5 . . ?
C72 O23 H23 109.5 . . ?
C13 C12 C14 118.0(11) . . ?
C13 C12 C11 118.8(10) . . ?
C11 C12 C14 123.1(11) . . ?
N11 C47 C44 120.3(11) . . ?
N11 C47 C48 119.1(11) . . ?
C44 C47 C48 120.4(11) . . ?
O3 C23 C21 118.5(11) . . ?
N15 C23 O3 124.7(12) . . ?
N15 C23 C21 116.8(11) . . ?
O1 C1 C6 122.2(11) . . ?
O1 C1 C2 119.9(13) . . ?
C2 C1 C6 118.0(13) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 C42 119.4(11) . . ?
C40 C41 H41 120.3 . . ?
O9 C62 O10 125.1(12) . . ?
O9 C62 C61 118.4(11) . . ?
O10 C62 C61 116.4(12) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C20 C19 C18 120.9(12) . . ?
N4 C14 C12 117.4(11) . . ?
N4 C14 C17 121.2(11) . . ?
C17 C14 C12 121.4(11) . . ?
C1 C6 C7 125.1(12) . . ?
C1 C6 C5 118.2(12) . . ?
C5 C6 C7 116.7(13) . . ?
C49 C48 C47 121.1(12) . . ?
C49 C48 C52 115.7(11) . . ?
C52 C48 C47 122.8(11) . . ?
O7 C53 C50 116.2(11) . . ?
N13 C53 O7 127.5(12) . . ?
N13 C53 C50 116.3(11) . . ?
C22 C18 C19 116.4(12) . . ?
C22 C18 C17 119.4(12) . . ?
C19 C18 C17 124.2(11) . . ?
C66 C65 H65A 109.5 . . ?
C66 C65 H65B 109.5 . . ?
C66 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C39 C40 H40 120.9 . . ?
C41 C40 C39 118.2(11) . . ?
C41 C40 H40 120.9 . . ?
O5 C31 C32 118.4(12) . . ?
O5 C31 C36 124.4(12) . . ?
C36 C31 C32 117.2(13) . . ?
N12 C50 C53 116.2(11) . . ?
N12 C50 C51 122.9(12) . . ?
C51 C50 C53 120.7(11) . . ?
O17 C70 Dy5 60.0(7) . . ?
O17 C70 O18 119.6(13) . . ?
O17 C70 C69 123.4(15) . . ?
O18 C70 Dy5 60.3(7) . . ?
O18 C70 C69 116.7(14) . . ?
C69 C70 Dy5 167.1(11) . . ?
N5 C17 C14 122.4(12) . . ?
N5 C17 C18 117.9(12) . . ?
C14 C17 C18 119.7(11) . . ?
C10 C11 C12 118.9(11) . . ?
C10 C11 H11 120.5 . . ?
C12 C11 H11 120.5 . . ?
C21 C20 H20 121.0 . . ?
C19 C20 C21 118.0(12) . . ?
C19 C20 H20 121.0 . . ?
N4 C15 H15 119.4 . . ?
N4 C15 C16 121.2(13) . . ?
C16 C15 H15 119.4 . . ?
C60 C59 H59 119.4 . . ?
C58 C59 H59 119.4 . . ?
C58 C59 C60 121.2(13) . . ?
C48 C52 H52 119.8 . . ?
C51 C52 C48 120.4(11) . . ?
C51 C52 H52 119.8 . . ?
N5 C16 C15 124.2(12) . . ?
N5 C16 H16 117.9 . . ?
C15 C16 H16 117.9 . . ?
O8 C60 C59 120.5(12) . . ?
O8 C60 C55 122.1(12) . . ?
C59 C60 C55 117.4(12) . . ?
C54 C55 C60 124.7(13) . . ?
C56 C55 C60 119.1(13) . . ?
C56 C55 C54 116.2(13) . . ?
C50 C51 H51 121.0 . . ?
C52 C51 C50 118.0(12) . . ?
C52 C51 H51 121.0 . . ?
N10 C45 H45 118.9 . . ?
N10 C45 C46 122.2(13) . . ?
C46 C45 H45 118.9 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.7(13) . . ?
C4 C3 H3 120.2 . . ?
C1 C2 H2 118.4 . . ?
C3 C2 C1 123.2(14) . . ?
C3 C2 H2 118.4 . . ?
N7 C37 H37 118.1 . . ?
N7 C37 C36 123.7(14) . . ?
C36 C37 H37 118.1 . . ?
O22 C71 H71A 109.5 . . ?
O22 C71 H71B 109.5 . . ?
O22 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
O4 C30 C25 114.2(14) . . ?
C29 C30 O4 122.9(16) . . ?
C29 C30 C25 122.7(15) . . ?
N14 C54 C55 124.7(14) . . ?
N14 C54 H54 117.7 . . ?
C55 C54 H54 117.7 . . ?
N16 C24 H24 117.6 . . ?
N16 C24 C25 124.7(14) . . ?
C25 C24 H24 117.6 . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
N11 C46 C45 122.6(13) . . ?
N11 C46 H46 118.7 . . ?
C45 C46 H46 118.7 . . ?
C6 C5 H5 118.5 . . ?
C4 C5 C6 122.9(15) . . ?
C4 C5 H5 118.5 . . ?
C55 C56 H56 118.3 . . ?
C57 C56 C55 123.3(14) . . ?
C57 C56 H56 118.3 . . ?
C31 C32 H32 120.2 . . ?
C33 C32 C31 119.6(15) . . ?
C33 C32 H32 120.2 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C24 C25 C30 128.0(13) . . ?
C26 C25 C30 116.5(17) . . ?
C26 C25 C24 115.3(17) . . ?
C31 C36 C37 121.9(13) . . ?
C35 C36 C31 120.5(14) . . ?
C35 C36 C37 117.5(14) . . ?
C56 C57 H57 121.2 . . ?
C56 C57 C58 117.6(14) . . ?
C58 C57 H57 121.2 . . ?
C3 C4 H4 121.0 . . ?
C5 C4 C3 118.1(14) . . ?
C5 C4 H4 121.0 . . ?
C59 C58 C57 121.1(14) . . ?
C59 C58 H58 119.4 . . ?
C57 C58 H58 119.4 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O23 C72 H72A 109.5 . . ?
O23 C72 H72B 109.5 . . ?
O23 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
O24 C73 H73A 109.5 . . ?
O24 C73 H73B 109.5 . . ?
O24 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C70 C69 H69A 109.5 . . ?
C70 C69 H69B 109.5 . . ?
C70 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C35 C34 C33 120.3(16) . . ?
C30 C29 H29 120.7 . . ?
C30 C29 C28 119(2) . . ?
C28 C29 H29 120.7 . . ?
C32 C33 C34 121.2(17) . . ?
C32 C33 H33 119.4 . . ?
C34 C33 H33 119.4 . . ?
C36 C35 H35 119.4 . . ?
C34 C35 C36 121.1(16) . . ?
C34 C35 H35 119.4 . . ?
C29 C28 H28 118.3 . . ?
C29 C28 C27 123(2) . . ?
C27 C28 H28 118.3 . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121(2) . . ?
C27 C26 H26 119.4 . . ?
C28 C27 H27 121.3 . . ?
C26 C27 C28 117(2) . . ?
C26 C27 H27 121.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O16 C66 O15 -6.9(11) . . . . ?
Dy1 O16 C66 C65 173.2(11) . . . . ?
Dy1 O6 C38 N8 -174.7(11) . . . . ?
Dy1 O6 C38 C39 5.1(17) . . . . ?
Dy1 O15 C66 O16 6.8(11) . . . . ?
Dy1 O15 C66 C65 -173.2(10) . . . . ?
Dy1 O7 C53 N13 166.9(10) . . . . ?
Dy1 O7 C53 C50 -10.7(15) . . . . ?
Dy1 N12 C49 C43 -8.1(15) . . . . ?
Dy1 N12 C49 C48 169.9(10) . . . . ?
Dy1 N12 C50 C53 10.9(15) . . . . ?
Dy1 N12 C50 C51 -173.2(10) . . . . ?
Dy1 N9 C43 C42 -175.3(9) . . . . ?
Dy1 N9 C43 C49 1.8(15) . . . . ?
Dy1 N9 C39 C38 -2.9(14) . . . . ?
Dy1 N9 C39 C40 176.0(9) . . . . ?
Dy2 O3 C23 N15 160.2(10) . . . . ?
Dy2 O3 C23 C21 -20.2(15) . . . . ?
Dy2 O2 C8 N2 176.9(9) . . . . ?
Dy2 O2 C8 C9 -1.3(15) . . . . ?
Dy2 O14 C68 O13 -36.6(14) . . . . ?
Dy2 O14 C68 C67 140.8(10) . . . . ?
Dy2 N6 C21 C23 2.4(12) . . . . ?
Dy2 N6 C21 C20 -174.6(10) . . . . ?
Dy2 N6 C22 C13 -6.1(15) . . . . ?
Dy2 N6 C22 C18 174.2(9) . . . . ?
Dy2 N3 C9 C8 -3.4(14) . . . . ?
Dy2 N3 C9 C10 176.1(10) . . . . ?
Dy2 N3 C13 C22 4.0(14) . . . . ?
Dy2 N3 C13 C12 -173.9(8) . . . . ?
Dy3 O2 C8 N2 -13.9(16) . . . . ?
Dy3 O2 C8 C9 167.9(8) . . . . ?
Dy3 O1 C1 C6 27(2) . . . . ?
Dy3 O1 C1 C2 -154.2(10) . . . . ?
Dy3 O12 C64 O11 -14(2) . . . . ?
Dy3 O12 C64 C63 165.4(10) . . . . ?
Dy3 O13 C68 O14 -19(2) . . . . ?
Dy3 O13 C68 C67 163.4(10) . . . . ?
Dy3 N1 C7 C6 -11.7(19) . . . . ?
Dy4 O16 C66 O15 165.4(11) . . . . ?
Dy4 O16 C66 C65 -15(2) . . . . ?
Dy4 O3 C23 N15 -10.6(17) . . . . ?
Dy4 O3 C23 C21 169.0(7) . . . . ?
Dy4 O14 C68 O13 135.2(10) . . . . ?
Dy4 O14 C68 C67 -47.4(17) . . . . ?
Dy4 O7 C53 N13 -8.4(17) . . . . ?
Dy4 O7 C53 C50 173.9(8) . . . . ?
Dy4 O4 C30 C25 -7(2) . . . . ?
Dy4 O4 C30 C29 177.6(13) . . . . ?
Dy4 O8 C60 C59 -156.3(11) . . . . ?
Dy4 O8 C60 C55 21(2) . . . . ?
Dy4 N14 N13 C53 6.0(13) . . . . ?
Dy4 N14 C54 C55 -5(2) . . . . ?
Dy4 N16 C24 C25 1(2) . . . . ?
Dy5 O6 C38 N8 14.1(19) . . . . ?
Dy5 O6 C38 C39 -166.1(9) . . . . ?
Dy5 O15 C66 O16 -142.4(10) . . . . ?
Dy5 O15 C66 C65 38(2) . . . . ?
Dy5 O9 C62 O10 1(2) . . . . ?
Dy5 O9 C62 C61 -175.5(12) . . . . ?
Dy5 O11 C64 O12 -117.8(13) . . . . ?
Dy5 O11 C64 C63 62.6(18) . . . . ?
Dy5 O5 C31 C32 177.2(12) . . . . ?
Dy5 O5 C31 C36 -5(3) . . . . ?
Dy5 O17 C70 O18 -9.0(14) . . . . ?
Dy5 O17 C70 C69 165.4(13) . . . . ?
Dy5 O18 C70 O17 9.0(14) . . . . ?
Dy5 O18 C70 C69 -165.8(12) . . . . ?
Dy5 N7 C37 C36 9(2) . . . . ?
O6 C38 C39 N9 -1.0(17) . . . . ?
O6 C38 C39 C40 -179.9(12) . . . . ?
O2 C8 C9 N3 3.0(15) . . . . ?
O2 C8 C9 C10 -176.5(12) . . . . ?
O7 C53 C50 N12 -1.1(17) . . . . ?
O7 C53 C50 C51 -177.1(12) . . . . ?
O1 C1 C6 C7 1(2) . . . . ?
O1 C1 C6 C5 179.7(12) . . . . ?
O1 C1 C2 C3 -179.0(12) . . . . ?
O4 C30 C25 C24 8(2) . . . . ?
O4 C30 C25 C26 -178.4(17) . . . . ?
O4 C30 C29 C28 175.8(16) . . . . ?
O5 C31 C32 C33 179.2(19) . . . . ?
O5 C31 C36 C37 4(3) . . . . ?
O5 C31 C36 C35 178.5(18) . . . . ?
O8 C60 C55 C54 -1(2) . . . . ?
O8 C60 C55 C56 178.6(14) . . . . ?
N2 N1 C7 C6 -178.2(12) . . . . ?
N2 C8 C9 N3 -175.2(11) . . . . ?
N2 C8 C9 C10 5(2) . . . . ?
N6 C21 C23 O3 10.1(15) . . . . ?
N6 C21 C23 N15 -170.2(11) . . . . ?
N6 C21 C20 C19 1(2) . . . . ?
N6 C22 C18 C19 -0.4(18) . . . . ?
N6 C22 C18 C17 179.2(11) . . . . ?
N1 N2 C8 O2 2.6(16) . . . . ?
N1 N2 C8 C9 -179.4(10) . . . . ?
N1 C7 C6 C1 -5(2) . . . . ?
N1 C7 C6 C5 176.1(13) . . . . ?
N12 C49 C48 C47 176.4(12) . . . . ?
N12 C49 C48 C52 3.1(19) . . . . ?
N12 C50 C51 C52 2(2) . . . . ?
N9 C43 C49 N12 3.9(17) . . . . ?
N9 C43 C49 C48 -174.2(11) . . . . ?
N9 C39 C40 C41 -0.3(19) . . . . ?
N3 C9 C10 C11 0(2) . . . . ?
N3 C13 C22 N6 1.3(16) . . . . ?
N3 C13 C22 C18 -179.0(11) . . . . ?
N3 C13 C12 C14 179.1(11) . . . . ?
N3 C13 C12 C11 -4.2(18) . . . . ?
N14 N13 C53 O7 1.5(19) . . . . ?
N14 N13 C53 C50 179.1(10) . . . . ?
N13 N14 C54 C55 177.2(13) . . . . ?
N13 C53 C50 N12 -179.0(12) . . . . ?
N13 C53 C50 C51 5.0(19) . . . . ?
N8 N7 C37 C36 -176.8(13) . . . . ?
N8 C38 C39 N9 178.9(12) . . . . ?
N8 C38 C39 C40 0.0(19) . . . . ?
N10 C44 C47 N11 4(2) . . . . ?
N10 C44 C47 C48 179.7(13) . . . . ?
N10 C45 C46 N11 2(2) . . . . ?
C8 N2 N1 Dy3 8.4(12) . . . . ?
C8 N2 N1 C7 176.6(11) . . . . ?
C8 C9 C10 C11 179.4(12) . . . . ?
N7 N8 C38 O6 -1(2) . . . . ?
N7 N8 C38 C39 179.5(11) . . . . ?
N7 C37 C36 C31 -6(3) . . . . ?
N7 C37 C36 C35 178.9(18) . . . . ?
C9 N3 C13 C22 -177.5(11) . . . . ?
C9 N3 C13 C12 4.6(17) . . . . ?
C9 C10 C11 C12 0(2) . . . . ?
N4 C14 C17 N5 -0.2(19) . . . . ?
N4 C14 C17 C18 179.0(11) . . . . ?
N4 C15 C16 N5 1(2) . . . . ?
N15 N16 C24 C25 179.1(15) . . . . ?
N16 N15 C23 O3 -4.4(19) . . . . ?
N16 N15 C23 C21 176.0(10) . . . . ?
N16 C24 C25 C30 -6(3) . . . . ?
N16 C24 C25 C26 -179(2) . . . . ?
C21 N6 C22 C13 -179.4(10) . . . . ?
C21 N6 C22 C18 0.9(17) . . . . ?
N11 C47 C48 C49 -179.3(13) . . . . ?
N11 C47 C48 C52 -6(2) . . . . ?
C7 C6 C5 C4 179.1(14) . . . . ?
C42 C43 C49 N12 -179.0(12) . . . . ?
C42 C43 C49 C48 3.0(18) . . . . ?
C42 C44 C47 N11 -176.9(12) . . . . ?
C42 C44 C47 C48 -1.0(19) . . . . ?
C42 C41 C40 C39 -2.2(19) . . . . ?
C38 N8 N7 Dy5 -12.8(14) . . . . ?
C38 N8 N7 C37 171.9(13) . . . . ?
C38 C39 C40 C41 178.5(12) . . . . ?
C43 N9 C39 C38 -176.7(11) . . . . ?
C43 N9 C39 C40 2.2(18) . . . . ?
C43 C42 C44 N10 177.7(12) . . . . ?
C43 C42 C44 C47 -1.7(19) . . . . ?
C43 C42 C41 C40 2.8(19) . . . . ?
C43 C49 C48 C47 -5.7(19) . . . . ?
C43 C49 C48 C52 -179.0(11) . . . . ?
C44 N10 C45 C46 -1(2) . . . . ?
C44 C42 C43 N9 177.6(12) . . . . ?
C44 C42 C43 C49 0.7(19) . . . . ?
C44 C42 C41 C40 -175.7(12) . . . . ?
C44 C47 C48 C49 5(2) . . . . ?
C44 C47 C48 C52 177.5(13) . . . . ?
C13 N3 C9 C8 178.1(10) . . . . ?
C13 N3 C9 C10 -2.4(19) . . . . ?
C13 C22 C18 C19 179.9(11) . . . . ?
C13 C22 C18 C17 -0.5(18) . . . . ?
C13 C12 C14 N4 179.5(11) . . . . ?
C13 C12 C14 C17 0.1(18) . . . . ?
C13 C12 C11 C10 1.7(19) . . . . ?
C49 N12 C50 C53 -177.8(11) . . . . ?
C49 N12 C50 C51 -1.9(19) . . . . ?
C49 C48 C52 C51 -2.7(19) . . . . ?
C39 N9 C43 C42 -1.6(18) . . . . ?
C39 N9 C43 C49 175.4(11) . . . . ?
C22 N6 C21 C23 175.8(10) . . . . ?
C22 N6 C21 C20 -1.3(18) . . . . ?
C22 C13 C12 C14 1.3(17) . . . . ?
C22 C13 C12 C11 177.9(11) . . . . ?
C22 C18 C17 N5 -178.9(11) . . . . ?
C22 C18 C17 C14 1.8(18) . . . . ?
C12 C13 C22 N6 179.2(11) . . . . ?
C12 C13 C22 C18 -1.1(18) . . . . ?
C12 C14 C17 N5 179.1(11) . . . . ?
C12 C14 C17 C18 -1.6(18) . . . . ?
C47 N11 C46 C45 1(2) . . . . ?
C47 C48 C52 C51 -175.9(13) . . . . ?
C23 N15 N16 Dy4 15.9(14) . . . . ?
C23 N15 N16 C24 -162.9(13) . . . . ?
C23 C21 C20 C19 -175.4(12) . . . . ?
C1 C6 C5 C4 0(2) . . . . ?
C41 C42 C43 N9 -0.8(19) . . . . ?
C41 C42 C43 C49 -177.8(12) . . . . ?
C41 C42 C44 N10 -3.9(19) . . . . ?
C41 C42 C44 C47 176.7(12) . . . . ?
C19 C18 C17 N5 0.7(18) . . . . ?
C19 C18 C17 C14 -178.6(12) . . . . ?
C14 N4 C15 C16 -2.9(19) . . . . ?
C14 C12 C11 C10 178.2(12) . . . . ?
C6 C1 C2 C3 0(2) . . . . ?
C6 C5 C4 C3 -2(2) . . . . ?
C48 C52 C51 C50 0(2) . . . . ?
C53 C50 C51 C52 177.9(12) . . . . ?
C18 C19 C20 C21 -1(2) . . . . ?
C31 C32 C33 C34 2(4) . . . . ?
C31 C36 C35 C34 3(4) . . . . ?
C50 N12 C49 C43 -178.8(11) . . . . ?
C50 N12 C49 C48 -0.9(19) . . . . ?
C17 N5 C16 C15 0.8(18) . . . . ?
C11 C12 C14 N4 3.0(18) . . . . ?
C11 C12 C14 C17 -176.4(12) . . . . ?
C20 C21 C23 O3 -172.8(12) . . . . ?
C20 C21 C23 N15 6.8(19) . . . . ?
C20 C19 C18 C22 0(2) . . . . ?
C20 C19 C18 C17 -179.4(13) . . . . ?
C15 N4 C14 C12 -177.0(11) . . . . ?
C15 N4 C14 C17 2.3(18) . . . . ?
C59 C60 C55 C54 176.7(14) . . . . ?
C59 C60 C55 C56 -4(2) . . . . ?
C16 N5 C17 C14 -1.3(17) . . . . ?
C16 N5 C17 C18 179.4(11) . . . . ?
C60 C59 C58 C57 -4(2) . . . . ?
C60 C55 C54 N14 -5(2) . . . . ?
C60 C55 C56 C57 2(2) . . . . ?
C55 C56 C57 C58 0(3) . . . . ?
C45 N10 C44 C42 179.1(12) . . . . ?
C45 N10 C44 C47 -2(2) . . . . ?
C2 C1 C6 C7 -178.4(13) . . . . ?
C2 C1 C6 C5 0.5(19) . . . . ?
C2 C3 C4 C5 2(2) . . . . ?
C37 C36 C35 C34 178(2) . . . . ?
C30 C25 C26 C27 4(4) . . . . ?
C30 C29 C28 C27 0(4) . . . . ?
C54 N14 N13 C53 -175.5(12) . . . . ?
C54 C55 C56 C57 -179.3(16) . . . . ?
C24 C25 C26 C27 179(3) . . . . ?
C46 N11 C47 C44 -3(2) . . . . ?
C46 N11 C47 C48 -179.0(13) . . . . ?
C56 C55 C54 N14 175.7(15) . . . . ?
C56 C57 C58 C59 1(3) . . . . ?
C32 C31 C36 C37 -178.6(15) . . . . ?
C32 C31 C36 C35 -4(3) . . . . ?
C25 C30 C29 C28 1(3) . . . . ?
C25 C26 C27 C28 -3(5) . . . . ?
C36 C31 C32 C33 1(3) . . . . ?
C4 C3 C2 C1 -2(2) . . . . ?
C58 C59 C60 O8 -177.3(14) . . . . ?
C58 C59 C60 C55 5(2) . . . . ?
C29 C30 C25 C24 -177.1(16) . . . . ?
C29 C30 C25 C26 -3(3) . . . . ?
C29 C28 C27 C26 1(5) . . . . ?
C33 C34 C35 C36 1(4) . . . . ?
C35 C34 C33 C32 -4(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_222_sq
_database_code_depnum_ccdc_archive 'CCDC 1976906'
loop_
_audit_author_name
_audit_author_address
'tong liu'
;guangxishifandaxue
China
;
_audit_update_record             
;
2020-01-11 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
_audit_creation_date             2019-10-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C67 H57 Dy5 N12 O23, 2(H2 O)'
_chemical_formula_sum            'C67 H61 Dy5 N12 O25'
_chemical_formula_weight         2246.77
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.4027(2)
_cell_length_b                   15.9505(3)
_cell_length_c                   19.8366(4)
_cell_angle_alpha                108.286(2)
_cell_angle_beta                 95.0240(10)
_cell_angle_gamma                102.3810(10)
_cell_volume                     4456.31(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    28129
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.8380
_cell_measurement_theta_min      2.3590
_shelx_estimated_absorpt_T_max   0.211
_shelx_estimated_absorpt_T_min   0.056
_exptl_absorpt_coefficient_mu    22.630
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2154
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   0.817
_exptl_transmission_factor_min   0.528
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            54969
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         76.583
_diffrn_reflns_theta_min         2.379
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15556
_reflns_number_total             18000
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.920
_refine_diff_density_min         -1.745
_refine_diff_density_rms         0.175
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1007
_refine_ls_number_reflns         18000
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0481
_refine_ls_restrained_S_all      1.123
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0621P)²+33.7486P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1243
_refine_ls_wR_factor_ref         0.1448
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O19-H19
 0.85 with sigma of 0.01
 H24A-H19
 2.2 with sigma of 0.02
 H25B-H22B
 2.2 with sigma of 0.02
 C59-C60
 1.665 with sigma of 0.02
 C60-C59
 1.7 with sigma of 0.02
 H31_$1-H59C_$2
 2.2 with sigma of 0.02
 H20-O20
 0.82 with sigma of 0.02
 O21-H21
 0.82 with sigma of 0.02
 H21-O21
 0.85 with sigma of 0.02
 H21-Dy2
 2.6 with sigma of 0.02
 C67-H19
 1.896305 with sigma of 0.02
 Dy2-H19
 2.898714 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C67) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Free rotating group:
 O24(H24A,H24B), O25(H25A,H25B)
4.b Rotating group:
 O22(H22A,H22B), O23(H23A,H23B)
4.c Aromatic/amide H refined with riding coordinates:
 C47(H47), C10(H10), C45(H45), C44(H44), C35(H35), C38(H38), C50(H50),
 C19(H19A), C46(H46), C30(H30), C55(H55), C39(H39), C16(H16), C17(H17),
 C52(H52), C2(H2), C54(H54), C7(H7), C11(H11), C31(H31), C27(H27), C18(H18),
 C53(H53), C26(H26), C3(H3), C5(H5), C24(H24), C22(H22), C33(H33), C25(H25),
 C4(H4), C32(H32)
4.d Idealised Me refined as rotating group:
 C59(H59A,H59B,H59C), C65(H65A,H65B,H65C), C61(H61A,H61B,H61C), C67(H67A,H67B,
 H67C), C57(H57A,H57B,H57C), C63(H63A,H63B,H63C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy2 Dy 0.21854(2) 0.35323(3) 0.13535(2) 0.02133(9) Uani 1 1 d D . . . .
Dy4 Dy 0.29406(2) 0.51729(3) 0.37016(2) 0.02160(10) Uani 1 1 d . . . . .
Dy3 Dy 0.26416(3) 0.62948(3) 0.22484(2) 0.02349(10) Uani 1 1 d . . . . .
Dy1 Dy 0.02032(3) 0.22821(3) 0.22820(2) 0.02361(10) Uani 1 1 d . . . . .
Dy5 Dy 0.39563(3) 0.32816(3) 0.26938(2) 0.02742(10) Uani 1 1 d . . . . .
O7 O 0.3824(3) 0.4218(3) 0.3842(3) 0.0279(10) Uani 1 1 d . . . . .
O2 O 0.1207(3) 0.2140(3) 0.1411(2) 0.0242(9) Uani 1 1 d . . . . .
O6 O 0.2347(3) 0.6255(3) 0.3389(3) 0.0263(10) Uani 1 1 d . . . . .
O21 O 0.2655(3) 0.3872(3) 0.2611(2) 0.0222(9) Uani 1 1 d D . . . .
O8 O 0.5301(4) 0.3100(4) 0.2434(3) 0.0412(14) Uani 1 1 d . . . . .
O3 O 0.2905(3) 0.5039(3) 0.1330(2) 0.0239(9) Uani 1 1 d . . . . .
O20 O 0.3508(3) 0.3200(4) 0.1548(3) 0.0320(11) Uani 1 1 d D . . . .
O1 O -0.0609(4) 0.1403(3) 0.2778(3) 0.0351(12) Uani 1 1 d . . . . .
O18 O 0.4620(3) 0.4809(3) 0.2792(3) 0.0319(11) Uani 1 1 d . . . . .
O13 O 0.0736(3) 0.3594(3) 0.1974(3) 0.0237(9) Uani 1 1 d . . . . .
O22 O 0.4253(3) 0.6352(3) 0.4314(3) 0.0276(10) Uani 1 1 d . . . . .
H22A H 0.445095 0.628087 0.470493 0.041 Uiso 1 1 d GR . . . .
H22B H 0.411667 0.686656 0.445670 0.041 Uiso 1 1 d DGR . . . .
O16 O 0.1543(3) 0.4397(3) 0.3715(3) 0.0307(11) Uani 1 1 d . . . . .
O14 O 0.1569(3) 0.4899(3) 0.2002(3) 0.0267(10) Uani 1 1 d . . . . .
O17 O 0.3676(3) 0.5692(3) 0.2826(3) 0.0274(10) Uani 1 1 d . . . . .
O15 O 0.0212(3) 0.3390(3) 0.3380(3) 0.0271(10) Uani 1 1 d . . . . .
O11 O -0.0883(4) 0.1770(4) 0.1159(3) 0.0359(12) Uani 1 1 d . . . . .
O19 O 0.1039(3) 0.3555(3) 0.0486(3) 0.0297(11) Uani 1 1 d D . . . .
H19 H 0.106(3) 0.403(2) 0.037(4) 0.045 Uiso 1 1 d DR . . . .
O10 O 0.2947(4) 0.2278(4) 0.3103(4) 0.0494(16) Uani 1 1 d . . . . .
N9 N 0.2320(4) 0.6204(4) 0.4672(3) 0.0231(11) Uani 1 1 d . . . . .
O5 O 0.1745(4) 0.6471(4) 0.1376(3) 0.0325(11) Uani 1 1 d . . . . .
O9 O 0.1555(3) 0.2406(3) 0.2936(3) 0.0303(11) Uani 1 1 d . . . . .
O4 O 0.3530(3) 0.7691(3) 0.2854(3) 0.0321(11) Uani 1 1 d . . . . .
O12 O -0.1151(3) 0.2819(4) 0.2041(3) 0.0343(12) Uani 1 1 d . . . . .
N1 N 0.0258(4) 0.0714(4) 0.1637(3) 0.0274(12) Uani 1 1 d . . . . .
N6 N 0.3709(4) 0.6718(4) 0.1469(4) 0.0322(13) Uani 1 1 d . . . . .
N8 N 0.1495(4) 0.7313(4) 0.3548(3) 0.0285(13) Uani 1 1 d . . . . .
N12 N 0.4862(4) 0.3176(4) 0.3774(3) 0.0253(12) Uani 1 1 d . . . . .
N2 N 0.0661(4) 0.0561(4) 0.1017(3) 0.0312(13) Uani 1 1 d . . . . .
N11 N 0.4606(4) 0.3532(4) 0.4452(3) 0.0247(12) Uani 1 1 d . . . . .
N5 N 0.3777(5) 0.6017(4) 0.0840(4) 0.0361(15) Uani 1 1 d . . . . .
N3 N 0.2031(4) 0.2020(4) 0.0302(3) 0.0241(11) Uani 1 1 d . . . . .
N7 N 0.1621(4) 0.7230(4) 0.2834(3) 0.0289(13) Uani 1 1 d . . . . .
C36 C 0.1895(5) 0.6782(5) 0.3775(4) 0.0279(14) Uani 1 1 d . . . . .
C47 C 0.3796(5) 0.4358(5) 0.5717(4) 0.0299(15) Uani 1 1 d . . . . .
H47 H 0.415017 0.397978 0.579062 0.036 Uiso 1 1 calc R . . . .
C29 C 0.1740(5) 0.7300(5) 0.1359(4) 0.0287(15) Uani 1 1 d . . . . .
N4 N 0.2948(4) 0.3619(4) 0.0247(3) 0.0268(12) Uani 1 1 d . . . . .
C62 C 0.0858(4) 0.4445(4) 0.2134(3) 0.0203(12) Uani 1 1 d . . . . .
C49 C 0.4077(4) 0.4062(5) 0.4429(3) 0.0231(13) Uani 1 1 d . . . . .
N10 N 0.3205(4) 0.5059(4) 0.4932(3) 0.0249(12) Uani 1 1 d . . . . .
O24 O 0.0894(6) 0.5039(5) 0.0219(4) 0.065(2) Uani 1 1 d . . . . .
H24A H 0.103092 0.547310 0.062121 0.097 Uiso 1 1 d DG . . . .
H24B H 0.122972 0.523053 -0.004829 0.097 Uiso 1 1 d G . . . .
C8 C 0.1113(5) 0.1316(4) 0.0963(4) 0.0247(14) Uani 1 1 d . . . . .
C60 C -0.1327(4) 0.2310(5) 0.1412(3) 0.0245(14) Uani 1 1 d D . . . .
C20 C 0.3397(5) 0.4418(5) 0.0221(4) 0.0321(16) Uani 1 1 d . . . . .
C14 C 0.2950(5) 0.2853(5) -0.0294(4) 0.0279(14) Uani 1 1 d . . . . .
C59 C -0.2030(5) 0.2371(6) 0.0975(4) 0.0349(18) Uani 1 1 d D . . . .
H59A H -0.180568 0.259008 0.060896 0.052 Uiso 1 1 calc GR . . . .
H59B H -0.233720 0.278620 0.125603 0.052 Uiso 1 1 calc GR . . . .
H59C H -0.244254 0.177858 0.075352 0.052 Uiso 1 1 calc DGR . . . .
C51 C 0.5865(4) 0.2322(5) 0.3171(4) 0.0270(14) Uani 1 1 d . . . . .
C10 C 0.1550(5) 0.0370(5) -0.0184(4) 0.0328(16) Uani 1 1 d . . . . .
H10 H 0.122706 -0.017134 -0.014319 0.039 Uiso 1 1 calc R . . . .
C42 C 0.2823(4) 0.5513(4) 0.5476(4) 0.0242(14) Uani 1 1 d . . . . .
O25 O 0.4295(5) 0.7992(5) 0.4206(4) 0.0622(19) Uani 1 1 d . . . . .
H25A H 0.387700 0.789420 0.386049 0.093 Uiso 1 1 d G . . . .
H25B H 0.474501 0.789054 0.400439 0.093 Uiso 1 1 d DG . . . .
C48 C 0.3685(4) 0.4497(5) 0.5063(3) 0.0237(13) Uani 1 1 d . . . . .
C21 C 0.3349(5) 0.5212(5) 0.0842(4) 0.0300(15) Uani 1 1 d . . . . .
C45 C 0.1894(4) 0.6411(5) 0.6514(4) 0.0273(15) Uani 1 1 d . . . . .
H45 H 0.158558 0.670558 0.685790 0.033 Uiso 1 1 calc R . . . .
O23 O 0.3722(7) 0.1675(5) 0.1945(4) 0.082(3) Uani 1 1 d . . . . .
H23A H 0.325377 0.115606 0.193897 0.123 Uiso 1 1 d GR . . . .
H23B H 0.407670 0.141693 0.159159 0.123 Uiso 1 1 d GR . . . .
C40 C 0.1862(5) 0.6562(5) 0.5844(4) 0.0256(14) Uani 1 1 d . . . . .
C44 C 0.2367(5) 0.5847(6) 0.6659(4) 0.0337(17) Uani 1 1 d . . . . .
H44 H 0.237840 0.576124 0.710242 0.040 Uiso 1 1 calc R . . . .
C35 C 0.1372(5) 0.7830(5) 0.2611(4) 0.0354(17) Uani 1 1 d . . . . .
H35 H 0.107914 0.821462 0.290805 0.043 Uiso 1 1 calc R . . . .
C58 C 0.2135(5) 0.2024(5) 0.3108(5) 0.0358(18) Uani 1 1 d . . . . .
C37 C 0.1877(5) 0.6770(5) 0.4515(4) 0.0272(14) Uani 1 1 d . . . . .
C43 C 0.2852(5) 0.5377(5) 0.6140(4) 0.0271(14) Uani 1 1 d . . . . .
C41 C 0.2322(4) 0.6110(4) 0.5320(4) 0.0231(13) Uani 1 1 d . . . . .
C9 C 0.1581(5) 0.1231(5) 0.0342(4) 0.0285(15) Uani 1 1 d . . . . .
C38 C 0.1402(5) 0.7266(5) 0.5013(4) 0.0326(16) Uani 1 1 d . . . . .
H38 H 0.109415 0.765320 0.489035 0.039 Uiso 1 1 calc R . . . .
C50 C 0.5456(4) 0.2721(5) 0.3790(4) 0.0283(15) Uani 1 1 d . . . . .
H50 H 0.563374 0.264207 0.422190 0.034 Uiso 1 1 calc R . . . .
C19 C 0.3869(7) 0.4495(6) -0.0339(5) 0.051(2) Uani 1 1 d . . . . .
H19A H 0.416419 0.506623 -0.034364 0.061 Uiso 1 1 calc R . . . .
C66 C 0.4449(4) 0.5510(5) 0.2747(3) 0.0266(15) Uani 1 1 d . . . . .
C65 C 0.5185(5) 0.6266(7) 0.2669(6) 0.047(2) Uani 1 1 d . . . . .
H65A H 0.540176 0.674131 0.312797 0.071 Uiso 1 1 calc GR . . . .
H65B H 0.494259 0.651149 0.233200 0.071 Uiso 1 1 calc GR . . . .
H65C H 0.567269 0.602073 0.249662 0.071 Uiso 1 1 calc GR . . . .
C46 C 0.3368(5) 0.4795(5) 0.6263(4) 0.0326(16) Uani 1 1 d . . . . .
H46 H 0.342325 0.470257 0.670333 0.039 Uiso 1 1 calc R . . . .
C56 C 0.5773(5) 0.2529(6) 0.2535(4) 0.0342(17) Uani 1 1 d . . . . .
C13 C 0.2475(5) 0.1990(5) -0.0271(4) 0.0265(14) Uani 1 1 d . . . . .
C30 C 0.1932(5) 0.7523(6) 0.0756(4) 0.0353(17) Uani 1 1 d . . . . .
H30 H 0.207998 0.709796 0.037139 0.042 Uiso 1 1 calc R . . . .
C55 C 0.6227(5) 0.2113(6) 0.1985(5) 0.043(2) Uani 1 1 d . . . . .
H55 H 0.616813 0.222457 0.155226 0.052 Uiso 1 1 calc R . . . .
C61 C 0.0169(5) 0.4910(5) 0.2447(5) 0.0376(18) Uani 1 1 d . . . . .
H61A H -0.040650 0.461729 0.214197 0.056 Uiso 1 1 calc GR . . . .
H61B H 0.033974 0.553960 0.248388 0.056 Uiso 1 1 calc GR . . . .
H61C H 0.013066 0.487100 0.291746 0.056 Uiso 1 1 calc GR . . . .
C12 C 0.2482(5) 0.1174(5) -0.0803(4) 0.0335(16) Uani 1 1 d . . . . .
C1 C -0.0804(5) 0.0583(5) 0.2811(4) 0.0327(16) Uani 1 1 d . . . . .
C6 C -0.0593(5) -0.0166(5) 0.2287(4) 0.0314(16) Uani 1 1 d . . . . .
C39 C 0.1401(5) 0.7168(5) 0.5669(4) 0.0317(16) Uani 1 1 d . . . . .
H39 H 0.110083 0.749570 0.600190 0.038 Uiso 1 1 calc R . . . .
C28 C 0.3825(5) 0.8428(5) 0.2679(4) 0.0327(16) Uani 1 1 d . . . . .
C16 C 0.3418(6) 0.2017(6) -0.1418(4) 0.044(2) Uani 1 1 d . . . . .
H16 H 0.372612 0.202520 -0.179980 0.053 Uiso 1 1 calc R . . . .
C23 C 0.4129(5) 0.8361(5) 0.2017(5) 0.0360(17) Uani 1 1 d . . . . .
C17 C 0.2962(6) 0.1203(6) -0.1385(5) 0.044(2) Uani 1 1 d . . . . .
H17 H 0.296259 0.066223 -0.174277 0.052 Uiso 1 1 calc R . . . .
C52 C 0.6422(5) 0.1753(5) 0.3264(4) 0.0344(17) Uani 1 1 d . . . . .
H52 H 0.650133 0.164899 0.369851 0.041 Uiso 1 1 calc R . . . .
C2 C -0.1232(6) 0.0388(6) 0.3359(5) 0.044(2) Uani 1 1 d . . . . .
H2 H -0.138214 0.085582 0.370687 0.053 Uiso 1 1 calc R . . . .
C54 C 0.6755(5) 0.1548(6) 0.2074(5) 0.044(2) Uani 1 1 d . . . . .
H54 H 0.705274 0.129184 0.170464 0.053 Uiso 1 1 calc R . . . .
C7 C -0.0121(5) -0.0062(5) 0.1705(4) 0.0327(16) Uani 1 1 d . . . . .
H7 H -0.008581 -0.059257 0.135073 0.039 Uiso 1 1 calc R . . . .
C34 C 0.1512(5) 0.7952(6) 0.1939(4) 0.0330(16) Uani 1 1 d . . . . .
C11 C 0.2000(6) 0.0356(5) -0.0745(4) 0.0375(18) Uani 1 1 d . . . . .
H11 H 0.198732 -0.019845 -0.109241 0.045 Uiso 1 1 calc R . . . .
C15 C 0.3429(6) 0.2864(6) -0.0872(4) 0.0386(18) Uani 1 1 d . . . . .
C31 C 0.1907(6) 0.8368(6) 0.0719(5) 0.0414(19) Uani 1 1 d . . . . .
H31 H 0.204688 0.851013 0.031430 0.050 Uiso 1 1 calc DR . . . .
C27 C 0.3873(6) 0.9310(5) 0.3171(5) 0.0424(19) Uani 1 1 d . . . . .
H27 H 0.367407 0.937298 0.360902 0.051 Uiso 1 1 calc R . . . .
C18 C 0.3888(7) 0.3714(6) -0.0882(5) 0.051(2) Uani 1 1 d . . . . .
H18 H 0.420507 0.375272 -0.125326 0.062 Uiso 1 1 calc R . . . .
C67 C 0.0212(6) 0.2896(7) 0.0128(5) 0.057(3) Uani 1 1 d D U . . .
H67A H 0.015089 0.278988 -0.037982 0.086 Uiso 1 1 calc GR . . . .
H67B H -0.028278 0.311868 0.031079 0.086 Uiso 1 1 calc GR . . . .
H67C H 0.020947 0.233424 0.021166 0.086 Uiso 1 1 calc GR . . . .
C53 C 0.6847(6) 0.1354(6) 0.2711(5) 0.042(2) Uani 1 1 d . . . . .
H53 H 0.719266 0.095935 0.276322 0.050 Uiso 1 1 calc R . . . .
C26 C 0.4215(6) 1.0067(5) 0.2995(6) 0.049(2) Uani 1 1 d . . . . .
H26 H 0.422699 1.063721 0.331945 0.059 Uiso 1 1 calc R . . . .
C3 C -0.1438(6) -0.0482(7) 0.3396(6) 0.050(2) Uani 1 1 d . . . . .
H3 H -0.170621 -0.058249 0.377545 0.060 Uiso 1 1 calc R . . . .
C5 C -0.0838(6) -0.1039(6) 0.2338(6) 0.047(2) Uani 1 1 d . . . . .
H5 H -0.071072 -0.152194 0.198890 0.056 Uiso 1 1 calc R . . . .
C24 C 0.4492(6) 0.9175(6) 0.1870(5) 0.046(2) Uani 1 1 d . . . . .
H24 H 0.469969 0.913237 0.143703 0.055 Uiso 1 1 calc R . . . .
C22 C 0.4106(6) 0.7524(6) 0.1472(5) 0.0408(19) Uani 1 1 d . . . . .
H22 H 0.440043 0.755564 0.108764 0.049 Uiso 1 1 calc R . . . .
C33 C 0.1482(7) 0.8796(7) 0.1876(5) 0.051(2) Uani 1 1 d . . . . .
H33 H 0.132508 0.922497 0.225242 0.061 Uiso 1 1 calc R . . . .
C25 C 0.4542(7) 1.0028(6) 0.2362(6) 0.052(2) Uani 1 1 d . . . . .
H25 H 0.478736 1.055783 0.226869 0.062 Uiso 1 1 calc R . . . .
C4 C -0.1253(6) -0.1210(6) 0.2876(6) 0.051(2) Uani 1 1 d . . . . .
H4 H -0.140817 -0.179766 0.289555 0.061 Uiso 1 1 calc R . . . .
C32 C 0.1673(7) 0.9011(6) 0.1287(5) 0.052(2) Uani 1 1 d . . . . .
H32 H 0.164806 0.957731 0.126055 0.063 Uiso 1 1 calc R . . . .
C64 C 0.0860(7) 0.3906(9) 0.3815(5) 0.077(4) Uani 1 1 d . . . . .
C57 C 0.1811(7) 0.1257(7) 0.3386(7) 0.063(3) Uani 1 1 d . . . . .
H57A H 0.221701 0.086811 0.331364 0.094 Uiso 1 1 calc GR . . . .
H57B H 0.121887 0.090858 0.313216 0.094 Uiso 1 1 calc GR . . . .
H57C H 0.179161 0.150399 0.389111 0.094 Uiso 1 1 calc GR . . . .
C63 C 0.0998(12) 0.3643(14) 0.4553(9) 0.123(7) Uani 1 1 d . . . . .
H63A H 0.162562 0.370127 0.469625 0.184 Uiso 1 1 calc GR . . . .
H63B H 0.066236 0.302581 0.446012 0.184 Uiso 1 1 calc GR . . . .
H63C H 0.078467 0.404986 0.493213 0.184 Uiso 1 1 calc GR . . . .
H20 H 0.379(7) 0.298(8) 0.124(5) 0.07(4) Uiso 1 1 d D . . . .
H21 H 0.218(2) 0.357(5) 0.2670(15) 0.03(2) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy2 Dy5 3.8123(5) . ?
Dy2 O2 2.444(5) . ?
Dy2 O21 2.388(5) . ?
Dy2 O3 2.438(5) . ?
Dy2 O20 2.244(5) . ?
Dy2 O13 2.647(5) . ?
Dy2 O14 2.578(5) . ?
Dy2 O19 2.369(5) . ?
Dy2 N3 2.595(6) . ?
Dy2 N4 2.606(6) . ?
Dy2 C62 3.018(6) . ?
Dy4 Dy3 3.8836(6) . ?
Dy4 Dy5 3.7856(5) . ?
Dy4 O7 2.310(5) . ?
Dy4 O6 2.335(5) . ?
Dy4 O21 2.409(4) . ?
Dy4 O22 2.368(5) . ?
Dy4 O16 2.249(5) . ?
Dy4 O17 2.415(5) . ?
Dy4 N9 2.517(5) . ?
Dy4 N10 2.509(6) . ?
Dy3 O6 2.363(5) . ?
Dy3 O3 2.383(4) . ?
Dy3 O14 2.351(4) . ?
Dy3 O17 2.409(5) . ?
Dy3 O5 2.244(5) . ?
Dy3 O4 2.236(5) . ?
Dy3 N6 2.484(6) . ?
Dy3 N7 2.507(6) . ?
Dy1 O2 2.408(5) . ?
Dy1 O1 2.198(5) . ?
Dy1 O13 2.361(4) . ?
Dy1 O15 2.331(5) . ?
Dy1 O11 2.459(5) . ?
Dy1 O9 2.291(5) . ?
Dy1 O12 2.482(5) . ?
Dy1 N1 2.450(6) . ?
Dy1 C60 2.814(6) . ?
Dy5 O7 2.353(5) . ?
Dy5 O21 2.404(4) . ?
Dy5 O8 2.234(5) . ?
Dy5 O20 2.271(5) . ?
Dy5 O18 2.370(5) . ?
Dy5 O10 2.367(6) . ?
Dy5 N12 2.523(6) . ?
Dy5 O23 2.454(7) . ?
O7 C49 1.310(8) . ?
O2 C8 1.305(8) . ?
O6 C36 1.312(8) . ?
O21 H21 0.831(14) . ?
O8 C56 1.330(9) . ?
O3 C21 1.298(9) . ?
O20 H20 0.82(2) . ?
O1 C1 1.301(9) . ?
O18 C66 1.231(9) . ?
O13 C62 1.261(8) . ?
O22 H22A 0.8571 . ?
O22 H22B 0.8579 . ?
O16 C64 1.240(11) . ?
O14 C62 1.272(8) . ?
O17 C66 1.296(8) . ?
O15 C64 1.213(11) . ?
O11 C60 1.226(9) . ?
O19 H19 0.853(9) . ?
O19 C67 1.426(9) . ?
O10 C58 1.231(10) . ?
N9 C37 1.334(9) . ?
N9 C41 1.341(9) . ?
O5 C29 1.334(9) . ?
O9 C58 1.262(9) . ?
O4 C28 1.328(9) . ?
O12 C60 1.226(8) . ?
N1 N2 1.402(8) . ?
N1 C7 1.303(9) . ?
N6 N5 1.420(9) . ?
N6 C22 1.297(10) . ?
N8 N7 1.414(8) . ?
N8 C36 1.309(9) . ?
N12 N11 1.413(8) . ?
N12 C50 1.288(9) . ?
N2 C8 1.297(9) . ?
N11 C49 1.302(9) . ?
N5 C21 1.314(10) . ?
N3 C9 1.330(9) . ?
N3 C13 1.371(9) . ?
N7 C35 1.285(10) . ?
C36 C37 1.476(10) . ?
C47 H47 0.9300 . ?
C47 C48 1.386(10) . ?
C47 C46 1.393(10) . ?
C29 C30 1.391(11) . ?
C29 C34 1.416(10) . ?
N4 C20 1.332(10) . ?
N4 C14 1.349(9) . ?
C62 C61 1.493(9) . ?
C49 C48 1.480(9) . ?
N10 C42 1.355(9) . ?
N10 C48 1.347(9) . ?
O24 H24A 0.8499 . ?
O24 H24B 0.8508 . ?
C8 C9 1.464(10) . ?
C60 C59 1.366(8) . ?
C20 C21 1.485(10) . ?
C20 C19 1.403(11) . ?
C14 C13 1.430(10) . ?
C14 C15 1.421(10) . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C51 C50 1.460(10) . ?
C51 C56 1.404(11) . ?
C51 C52 1.417(10) . ?
C10 H10 0.9300 . ?
C10 C9 1.429(10) . ?
C10 C11 1.360(11) . ?
C42 C43 1.399(10) . ?
C42 C41 1.433(10) . ?
O25 H25A 0.8501 . ?
O25 H25B 0.8502 . ?
C45 H45 0.9300 . ?
C45 C40 1.420(10) . ?
C45 C44 1.353(11) . ?
O23 H23A 0.9706 . ?
O23 H23B 0.9708 . ?
C40 C41 1.407(9) . ?
C40 C39 1.421(10) . ?
C44 H44 0.9300 . ?
C44 C43 1.440(9) . ?
C35 H35 0.9300 . ?
C35 C34 1.434(11) . ?
C58 C57 1.505(12) . ?
C37 C38 1.422(10) . ?
C43 C46 1.407(10) . ?
C38 H38 0.9300 . ?
C38 C39 1.359(11) . ?
C50 H50 0.9300 . ?
C19 H19A 0.9300 . ?
C19 C18 1.375(12) . ?
C66 C65 1.524(11) . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C46 H46 0.9300 . ?
C56 C55 1.413(11) . ?
C13 C12 1.398(10) . ?
C30 H30 0.9300 . ?
C30 C31 1.380(11) . ?
C55 H55 0.9300 . ?
C55 C54 1.376(12) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C12 C17 1.431(11) . ?
C12 C11 1.400(12) . ?
C1 C6 1.436(11) . ?
C1 C2 1.402(11) . ?
C6 C7 1.451(11) . ?
C6 C5 1.400(11) . ?
C39 H39 0.9300 . ?
C28 C23 1.414(12) . ?
C28 C27 1.420(11) . ?
C16 H16 0.9300 . ?
C16 C17 1.361(13) . ?
C16 C15 1.437(11) . ?
C23 C24 1.428(11) . ?
C23 C22 1.421(12) . ?
C17 H17 0.9300 . ?
C52 H52 0.9300 . ?
C52 C53 1.380(11) . ?
C2 H2 0.9300 . ?
C2 C3 1.382(12) . ?
C54 H54 0.9300 . ?
C54 C53 1.396(14) . ?
C7 H7 0.9300 . ?
C34 C33 1.400(12) . ?
C11 H11 0.9300 . ?
C15 C18 1.395(12) . ?
C31 H31 0.9300 . ?
C31 C32 1.399(13) . ?
C27 H27 0.9300 . ?
C27 C26 1.371(12) . ?
C18 H18 0.9300 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C53 H53 0.9300 . ?
C26 H26 0.9300 . ?
C26 C25 1.383(15) . ?
C3 H3 0.9300 . ?
C3 C4 1.392(14) . ?
C5 H5 0.9300 . ?
C5 C4 1.360(13) . ?
C24 H24 0.9300 . ?
C24 C25 1.384(14) . ?
C22 H22 0.9300 . ?
C33 H33 0.9300 . ?
C33 C32 1.356(13) . ?
C25 H25 0.9300 . ?
C4 H4 0.9300 . ?
C32 H32 0.9300 . ?
C64 C63 1.65(2) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?

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
O2 Dy2 Dy5 87.27(11) . . ?
O2 Dy2 O13 59.37(14) . . ?
O2 Dy2 O14 108.63(15) . . ?
O2 Dy2 N3 62.34(16) . . ?
O2 Dy2 N4 124.00(17) . . ?
O2 Dy2 C62 83.98(16) . . ?
O21 Dy2 Dy5 37.45(10) . . ?
O21 Dy2 O2 84.58(15) . . ?
O21 Dy2 O3 96.14(15) . . ?
O21 Dy2 O13 72.73(14) . . ?
O21 Dy2 O14 74.21(15) . . ?
O21 Dy2 N3 128.44(17) . . ?
O21 Dy2 N4 137.11(17) . . ?
O21 Dy2 C62 72.83(15) . . ?
O3 Dy2 Dy5 100.09(11) . . ?
O3 Dy2 O2 168.84(15) . . ?
O3 Dy2 O13 110.15(14) . . ?
O3 Dy2 O14 61.17(14) . . ?
O3 Dy2 N3 123.92(16) . . ?
O3 Dy2 N4 62.12(16) . . ?
O3 Dy2 C62 85.59(16) . . ?
O20 Dy2 Dy5 32.62(13) . . ?
O20 Dy2 O2 97.67(19) . . ?
O20 Dy2 O21 69.52(16) . . ?
O20 Dy2 O3 92.99(19) . . ?
O20 Dy2 O13 137.39(17) . . ?
O20 Dy2 O14 132.39(17) . . ?
O20 Dy2 O19 146.26(18) . . ?
O20 Dy2 N3 76.70(18) . . ?
O20 Dy2 N4 74.97(19) . . ?
O20 Dy2 C62 141.94(17) . . ?
O13 Dy2 Dy5 106.12(10) . . ?
O13 Dy2 C62 24.61(16) . . ?
O14 Dy2 Dy5 108.64(11) . . ?
O14 Dy2 O13 49.29(14) . . ?
O14 Dy2 N3 150.79(16) . . ?
O14 Dy2 N4 116.79(17) . . ?
O14 Dy2 C62 24.72(16) . . ?
O19 Dy2 Dy5 175.28(12) . . ?
O19 Dy2 O2 88.59(16) . . ?
O19 Dy2 O21 144.22(16) . . ?
O19 Dy2 O3 84.34(17) . . ?
O19 Dy2 O13 73.60(16) . . ?
O19 Dy2 O14 74.88(16) . . ?
O19 Dy2 N3 77.10(18) . . ?
O19 Dy2 N4 74.12(18) . . ?
O19 Dy2 C62 71.54(17) . . ?
N3 Dy2 Dy5 98.93(13) . . ?
N3 Dy2 O13 114.14(16) . . ?
N3 Dy2 N4 61.96(18) . . ?
N3 Dy2 C62 134.13(17) . . ?
N4 Dy2 Dy5 106.42(13) . . ?
N4 Dy2 O13 147.41(17) . . ?
N4 Dy2 C62 134.59(18) . . ?
C62 Dy2 Dy5 110.25(12) . . ?
Dy5 Dy4 Dy3 99.975(12) . . ?
O7 Dy4 Dy3 132.03(12) . . ?
O7 Dy4 Dy5 36.11(12) . . ?
O7 Dy4 O6 164.56(17) . . ?
O7 Dy4 O21 70.74(16) . . ?
O7 Dy4 O22 84.14(17) . . ?
O7 Dy4 O17 98.22(17) . . ?
O7 Dy4 N9 126.91(18) . . ?
O7 Dy4 N10 63.59(17) . . ?
O6 Dy4 Dy3 34.47(12) . . ?
O6 Dy4 Dy5 134.06(12) . . ?
O6 Dy4 O21 105.56(16) . . ?
O6 Dy4 O22 88.13(17) . . ?
O6 Dy4 O17 66.59(16) . . ?
O6 Dy4 N9 64.02(17) . . ?
O6 Dy4 N10 127.03(17) . . ?
O21 Dy4 Dy3 78.71(11) . . ?
O21 Dy4 Dy5 38.10(10) . . ?
O21 Dy4 O17 72.96(16) . . ?
O21 Dy4 N9 148.41(16) . . ?
O21 Dy4 N10 122.91(17) . . ?
O22 Dy4 Dy3 90.51(13) . . ?
O22 Dy4 Dy5 101.25(11) . . ?
O22 Dy4 O21 132.41(16) . . ?
O22 Dy4 O17 71.49(17) . . ?
O22 Dy4 N9 78.65(17) . . ?
O22 Dy4 N10 75.20(18) . . ?
O16 Dy4 Dy3 105.09(14) . . ?
O16 Dy4 Dy5 102.19(13) . . ?
O16 Dy4 O7 103.46(19) . . ?
O16 Dy4 O6 90.02(18) . . ?
O16 Dy4 O21 77.72(16) . . ?
O16 Dy4 O22 148.97(18) . . ?
O16 Dy4 O17 134.99(18) . . ?
O16 Dy4 N9 72.76(18) . . ?
O16 Dy4 N10 81.37(19) . . ?
O17 Dy4 Dy3 36.33(11) . . ?
O17 Dy4 Dy5 74.04(11) . . ?
O17 Dy4 N9 122.15(17) . . ?
O17 Dy4 N10 143.52(17) . . ?
N9 Dy4 Dy3 98.19(13) . . ?
N9 Dy4 Dy5 161.84(13) . . ?
N10 Dy4 Dy3 158.37(13) . . ?
N10 Dy4 Dy5 98.71(13) . . ?
N10 Dy4 N9 63.51(18) . . ?
O6 Dy3 Dy4 34.00(11) . . ?
O6 Dy3 O3 123.80(16) . . ?
O6 Dy3 O17 66.25(16) . . ?
O6 Dy3 N6 150.19(19) . . ?
O6 Dy3 N7 62.98(17) . . ?
O3 Dy3 Dy4 92.26(11) . . ?
O3 Dy3 O17 73.43(16) . . ?
O3 Dy3 N6 64.95(18) . . ?
O3 Dy3 N7 151.58(18) . . ?
O14 Dy3 Dy4 66.94(12) . . ?
O14 Dy3 O6 75.16(17) . . ?
O14 Dy3 O3 65.32(16) . . ?
O14 Dy3 O17 87.41(17) . . ?
O14 Dy3 N6 127.68(19) . . ?
O14 Dy3 N7 93.63(18) . . ?
O17 Dy3 Dy4 36.43(11) . . ?
O17 Dy3 N6 93.36(19) . . ?
O17 Dy3 N7 126.98(17) . . ?
O5 Dy3 Dy4 149.32(14) . . ?
O5 Dy3 O6 128.87(18) . . ?
O5 Dy3 O3 86.51(17) . . ?
O5 Dy3 O14 84.93(18) . . ?
O5 Dy3 O17 159.92(17) . . ?
O5 Dy3 N6 76.9(2) . . ?
O5 Dy3 N7 72.13(19) . . ?
O4 Dy3 Dy4 98.75(14) . . ?
O4 Dy3 O6 85.55(18) . . ?
O4 Dy3 O3 130.97(18) . . ?
O4 Dy3 O14 160.41(18) . . ?
O4 Dy3 O17 87.94(18) . . ?
O4 Dy3 O5 105.12(19) . . ?
O4 Dy3 N6 71.6(2) . . ?
O4 Dy3 N7 74.17(19) . . ?
N6 Dy3 Dy4 129.79(15) . . ?
N6 Dy3 N7 125.0(2) . . ?
N7 Dy3 Dy4 96.75(14) . . ?
O2 Dy1 O11 79.49(17) . . ?
O2 Dy1 O12 117.96(17) . . ?
O2 Dy1 N1 65.14(17) . . ?
O2 Dy1 C60 98.71(17) . . ?
O1 Dy1 O2 137.86(17) . . ?
O1 Dy1 O13 157.84(18) . . ?
O1 Dy1 O15 81.31(18) . . ?
O1 Dy1 O11 95.3(2) . . ?
O1 Dy1 O9 95.2(2) . . ?
O1 Dy1 O12 87.9(2) . . ?
O1 Dy1 N1 73.14(19) . . ?
O1 Dy1 C60 92.5(2) . . ?
O13 Dy1 O2 64.00(15) . . ?
O13 Dy1 O11 84.61(17) . . ?
O13 Dy1 O12 74.61(17) . . ?
O13 Dy1 N1 127.53(18) . . ?
O13 Dy1 C60 77.85(18) . . ?
O15 Dy1 O2 134.10(16) . . ?
O15 Dy1 O13 81.48(17) . . ?
O15 Dy1 O11 128.45(17) . . ?
O15 Dy1 O12 76.90(17) . . ?
O15 Dy1 N1 147.66(19) . . ?
O15 Dy1 C60 102.69(18) . . ?
O11 Dy1 O12 51.55(17) . . ?
O11 Dy1 C60 25.77(18) . . ?
O9 Dy1 O2 76.27(17) . . ?
O9 Dy1 O13 94.59(17) . . ?
O9 Dy1 O15 77.45(17) . . ?
O9 Dy1 O11 153.31(18) . . ?
O9 Dy1 O12 153.37(18) . . ?
O9 Dy1 N1 85.33(19) . . ?
O9 Dy1 C60 172.27(19) . . ?
O12 Dy1 C60 25.80(18) . . ?
N1 Dy1 O11 74.39(19) . . ?
N1 Dy1 O12 120.69(19) . . ?
N1 Dy1 C60 98.0(2) . . ?
Dy4 Dy5 Dy2 72.101(11) . . ?
O7 Dy5 Dy2 106.54(11) . . ?
O7 Dy5 Dy4 35.34(11) . . ?
O7 Dy5 O21 70.12(16) . . ?
O7 Dy5 O18 73.10(18) . . ?
O7 Dy5 O10 76.6(2) . . ?
O7 Dy5 N12 62.25(17) . . ?
O7 Dy5 O23 142.2(3) . . ?
O21 Dy5 Dy2 37.16(11) . . ?
O21 Dy5 Dy4 38.19(11) . . ?
O21 Dy5 N12 130.10(17) . . ?
O21 Dy5 O23 114.3(3) . . ?
O8 Dy5 Dy2 122.38(14) . . ?
O8 Dy5 Dy4 138.63(17) . . ?
O8 Dy5 O7 120.63(19) . . ?
O8 Dy5 O21 153.48(19) . . ?
O8 Dy5 O20 90.59(19) . . ?
O8 Dy5 O18 82.2(2) . . ?
O8 Dy5 O10 124.1(2) . . ?
O8 Dy5 N12 70.97(19) . . ?
O8 Dy5 O23 73.3(3) . . ?
O20 Dy5 Dy2 32.18(12) . . ?
O20 Dy5 Dy4 99.44(12) . . ?
O20 Dy5 O7 134.69(17) . . ?
O20 Dy5 O21 68.80(16) . . ?
O20 Dy5 O18 80.55(19) . . ?
O20 Dy5 O10 114.3(2) . . ?
O20 Dy5 N12 161.05(18) . . ?
O20 Dy5 O23 74.2(2) . . ?
O18 Dy5 Dy2 81.77(12) . . ?
O18 Dy5 Dy4 60.42(12) . . ?
O18 Dy5 O21 78.15(16) . . ?
O18 Dy5 N12 100.60(18) . . ?
O18 Dy5 O23 144.2(3) . . ?
O10 Dy5 Dy2 96.12(15) . . ?
O10 Dy5 Dy4 87.99(15) . . ?
O10 Dy5 O21 80.92(18) . . ?
O10 Dy5 O18 147.6(2) . . ?
O10 Dy5 N12 74.7(2) . . ?
O10 Dy5 O23 67.7(3) . . ?
N12 Dy5 Dy2 166.62(13) . . ?
N12 Dy5 Dy4 97.45(13) . . ?
O23 Dy5 Dy2 89.7(2) . . ?
O23 Dy5 Dy4 148.1(2) . . ?
O23 Dy5 N12 95.6(2) . . ?
Dy4 O7 Dy5 108.5(2) . . ?
C49 O7 Dy4 128.0(4) . . ?
C49 O7 Dy5 122.2(4) . . ?
Dy1 O2 Dy2 118.42(18) . . ?
C8 O2 Dy2 125.5(4) . . ?
C8 O2 Dy1 115.7(4) . . ?
Dy4 O6 Dy3 111.53(18) . . ?
C36 O6 Dy4 126.2(4) . . ?
C36 O6 Dy3 122.3(4) . . ?
Dy2 O21 Dy4 137.5(2) . . ?
Dy2 O21 Dy5 105.40(17) . . ?
Dy2 O21 H21 95.0(16) . . ?
Dy4 O21 H21 99(4) . . ?
Dy5 O21 Dy4 103.71(16) . . ?
Dy5 O21 H21 116(6) . . ?
C56 O8 Dy5 131.9(5) . . ?
Dy3 O3 Dy2 115.39(18) . . ?
C21 O3 Dy2 126.4(4) . . ?
C21 O3 Dy3 118.0(4) . . ?
Dy2 O20 Dy5 115.2(2) . . ?
Dy2 O20 H20 126(9) . . ?
Dy5 O20 H20 118(9) . . ?
C1 O1 Dy1 143.5(5) . . ?
C66 O18 Dy5 143.5(5) . . ?
Dy1 O13 Dy2 112.51(17) . . ?
C62 O13 Dy2 94.4(4) . . ?
C62 O13 Dy1 147.8(4) . . ?
Dy4 O22 H22A 109.8 . . ?
Dy4 O22 H22B 109.7 . . ?
H22A O22 H22B 104.2 . . ?
C64 O16 Dy4 167.3(8) . . ?
Dy3 O14 Dy2 111.45(17) . . ?
C62 O14 Dy2 97.4(4) . . ?
C62 O14 Dy3 149.4(4) . . ?
Dy3 O17 Dy4 107.23(17) . . ?
C66 O17 Dy4 115.0(4) . . ?
C66 O17 Dy3 137.5(4) . . ?
C64 O15 Dy1 127.9(6) . . ?
C60 O11 Dy1 93.5(4) . . ?
Dy2 O19 H19 120.1(15) . . ?
C67 O19 Dy2 130.3(5) . . ?
C67 O19 H19 109.4(15) . . ?
C58 O10 Dy5 140.0(6) . . ?
C37 N9 Dy4 119.7(5) . . ?
C37 N9 C41 118.9(6) . . ?
C41 N9 Dy4 120.8(4) . . ?
C29 O5 Dy3 121.1(4) . . ?
C58 O9 Dy1 149.0(5) . . ?
C28 O4 Dy3 133.8(5) . . ?
C60 O12 Dy1 92.4(4) . . ?
N2 N1 Dy1 117.5(4) . . ?
C7 N1 Dy1 131.8(5) . . ?
C7 N1 N2 110.1(6) . . ?
N5 N6 Dy3 117.7(4) . . ?
C22 N6 Dy3 129.0(6) . . ?
C22 N6 N5 112.0(7) . . ?
C36 N8 N7 110.4(5) . . ?
N11 N12 Dy5 117.6(4) . . ?
C50 N12 Dy5 128.7(5) . . ?
C50 N12 N11 112.8(6) . . ?
C8 N2 N1 112.1(6) . . ?
C49 N11 N12 110.9(5) . . ?
C21 N5 N6 110.7(6) . . ?
C9 N3 Dy2 120.0(4) . . ?
C9 N3 C13 117.7(6) . . ?
C13 N3 Dy2 122.0(4) . . ?
N8 N7 Dy3 119.7(4) . . ?
C35 N7 Dy3 123.9(5) . . ?
C35 N7 N8 114.1(6) . . ?
O6 C36 C37 115.6(6) . . ?
N8 C36 O6 124.0(6) . . ?
N8 C36 C37 120.3(6) . . ?
C48 C47 H47 120.6 . . ?
C48 C47 C46 118.9(7) . . ?
C46 C47 H47 120.6 . . ?
O5 C29 C30 119.9(7) . . ?
O5 C29 C34 121.1(7) . . ?
C30 C29 C34 118.9(7) . . ?
C20 N4 Dy2 120.8(5) . . ?
C20 N4 C14 118.1(6) . . ?
C14 N4 Dy2 121.0(5) . . ?
O13 C62 Dy2 61.0(3) . . ?
O13 C62 O14 118.8(6) . . ?
O13 C62 C61 120.8(6) . . ?
O14 C62 Dy2 57.9(3) . . ?
O14 C62 C61 120.4(6) . . ?
C61 C62 Dy2 174.0(5) . . ?
O7 C49 C48 115.3(6) . . ?
N11 C49 O7 122.8(6) . . ?
N11 C49 C48 121.8(6) . . ?
C42 N10 Dy4 121.3(5) . . ?
C48 N10 Dy4 120.9(4) . . ?
C48 N10 C42 117.6(6) . . ?
H24A O24 H24B 104.4 . . ?
O2 C8 C9 116.9(6) . . ?
N2 C8 O2 126.6(7) . . ?
N2 C8 C9 116.6(6) . . ?
O11 C60 Dy1 60.7(4) . . ?
O11 C60 O12 122.4(6) . . ?
O11 C60 C59 119.3(6) . . ?
O12 C60 Dy1 61.8(4) . . ?
O12 C60 C59 118.2(7) . . ?
C59 C60 Dy1 175.8(6) . . ?
N4 C20 C21 113.4(6) . . ?
N4 C20 C19 123.0(7) . . ?
C19 C20 C21 123.6(7) . . ?
N4 C14 C13 118.7(6) . . ?
N4 C14 C15 122.9(7) . . ?
C15 C14 C13 118.4(6) . . ?
C60 C59 H59A 109.5 . . ?
C60 C59 H59B 109.5 . . ?
C60 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C56 C51 C50 123.1(6) . . ?
C56 C51 C52 121.0(7) . . ?
C52 C51 C50 115.7(7) . . ?
C9 C10 H10 120.6 . . ?
C11 C10 H10 120.6 . . ?
C11 C10 C9 118.7(7) . . ?
N10 C42 C43 123.3(6) . . ?
N10 C42 C41 116.2(6) . . ?
C43 C42 C41 120.4(6) . . ?
H25A O25 H25B 104.5 . . ?
C47 C48 C49 125.0(6) . . ?
N10 C48 C47 123.3(6) . . ?
N10 C48 C49 111.7(6) . . ?
O3 C21 N5 127.1(7) . . ?
O3 C21 C20 117.1(6) . . ?
N5 C21 C20 115.8(7) . . ?
C40 C45 H45 119.4 . . ?
C44 C45 H45 119.4 . . ?
C44 C45 C40 121.2(6) . . ?
Dy5 O23 H23A 127.5 . . ?
Dy5 O23 H23B 127.8 . . ?
H23A O23 H23B 104.7 . . ?
C45 C40 C39 123.8(6) . . ?
C41 C40 C45 119.5(6) . . ?
C41 C40 C39 116.8(6) . . ?
C45 C44 H44 119.5 . . ?
C45 C44 C43 121.1(7) . . ?
C43 C44 H44 119.5 . . ?
N7 C35 H35 117.5 . . ?
N7 C35 C34 125.0(7) . . ?
C34 C35 H35 117.5 . . ?
O10 C58 O9 124.1(7) . . ?
O10 C58 C57 118.6(7) . . ?
O9 C58 C57 117.2(7) . . ?
N9 C37 C36 113.5(6) . . ?
N9 C37 C38 121.8(7) . . ?
C38 C37 C36 124.6(6) . . ?
C42 C43 C44 118.5(7) . . ?
C42 C43 C46 117.6(6) . . ?
C46 C43 C44 123.9(7) . . ?
N9 C41 C42 117.2(6) . . ?
N9 C41 C40 123.4(6) . . ?
C40 C41 C42 119.3(6) . . ?
N3 C9 C8 114.7(6) . . ?
N3 C9 C10 122.5(7) . . ?
C10 C9 C8 122.7(7) . . ?
C37 C38 H38 120.3 . . ?
C39 C38 C37 119.3(7) . . ?
C39 C38 H38 120.3 . . ?
N12 C50 C51 123.7(7) . . ?
N12 C50 H50 118.2 . . ?
C51 C50 H50 118.2 . . ?
C20 C19 H19A 120.5 . . ?
C18 C19 C20 119.0(8) . . ?
C18 C19 H19A 120.5 . . ?
O18 C66 O17 123.2(7) . . ?
O18 C66 C65 120.6(6) . . ?
O17 C66 C65 115.9(7) . . ?
C66 C65 H65A 109.5 . . ?
C66 C65 H65B 109.5 . . ?
C66 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C47 C46 C43 119.2(7) . . ?
C47 C46 H46 120.4 . . ?
C43 C46 H46 120.4 . . ?
O8 C56 C51 123.5(6) . . ?
O8 C56 C55 119.4(7) . . ?
C51 C56 C55 117.1(7) . . ?
N3 C13 C14 115.9(6) . . ?
N3 C13 C12 123.1(7) . . ?
C12 C13 C14 121.1(7) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 C29 120.9(8) . . ?
C31 C30 H30 119.5 . . ?
C56 C55 H55 119.2 . . ?
C54 C55 C56 121.6(9) . . ?
C54 C55 H55 119.2 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C13 C12 C17 119.5(7) . . ?
C13 C12 C11 117.7(7) . . ?
C11 C12 C17 122.8(7) . . ?
O1 C1 C6 121.6(7) . . ?
O1 C1 C2 121.7(7) . . ?
C2 C1 C6 116.7(7) . . ?
C1 C6 C7 123.0(7) . . ?
C5 C6 C1 119.3(7) . . ?
C5 C6 C7 117.7(7) . . ?
C40 C39 H39 120.1 . . ?
C38 C39 C40 119.7(6) . . ?
C38 C39 H39 120.1 . . ?
O4 C28 C23 121.2(7) . . ?
O4 C28 C27 120.3(8) . . ?
C23 C28 C27 118.5(7) . . ?
C17 C16 H16 119.5 . . ?
C17 C16 C15 120.9(7) . . ?
C15 C16 H16 119.5 . . ?
C28 C23 C24 119.4(8) . . ?
C28 C23 C22 124.3(7) . . ?
C22 C23 C24 116.3(8) . . ?
C12 C17 H17 119.7 . . ?
C16 C17 C12 120.5(8) . . ?
C16 C17 H17 119.7 . . ?
C51 C52 H52 120.0 . . ?
C53 C52 C51 120.0(8) . . ?
C53 C52 H52 120.0 . . ?
C1 C2 H2 119.1 . . ?
C3 C2 C1 121.7(9) . . ?
C3 C2 H2 119.1 . . ?
C55 C54 H54 119.6 . . ?
C55 C54 C53 120.7(8) . . ?
C53 C54 H54 119.6 . . ?
N1 C7 C6 125.3(7) . . ?
N1 C7 H7 117.4 . . ?
C6 C7 H7 117.4 . . ?
C29 C34 C35 124.0(7) . . ?
C33 C34 C29 118.4(7) . . ?
C33 C34 C35 117.4(7) . . ?
C10 C11 C12 120.3(7) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C14 C15 C16 119.6(7) . . ?
C18 C15 C14 117.3(7) . . ?
C18 C15 C16 123.1(7) . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.3(8) . . ?
C32 C31 H31 119.8 . . ?
C28 C27 H27 120.2 . . ?
C26 C27 C28 119.6(9) . . ?
C26 C27 H27 120.2 . . ?
C19 C18 C15 119.7(8) . . ?
C19 C18 H18 120.1 . . ?
C15 C18 H18 120.1 . . ?
O19 C67 H67A 109.5 . . ?
O19 C67 H67B 109.5 . . ?
O19 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C52 C53 C54 119.4(8) . . ?
C52 C53 H53 120.3 . . ?
C54 C53 H53 120.3 . . ?
C27 C26 H26 118.3 . . ?
C27 C26 C25 123.5(8) . . ?
C25 C26 H26 118.3 . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.3(8) . . ?
C4 C3 H3 119.4 . . ?
C6 C5 H5 118.6 . . ?
C4 C5 C6 122.8(9) . . ?
C4 C5 H5 118.6 . . ?
C23 C24 H24 119.4 . . ?
C25 C24 C23 121.1(9) . . ?
C25 C24 H24 119.4 . . ?
N6 C22 C23 125.2(8) . . ?
N6 C22 H22 117.4 . . ?
C23 C22 H22 117.4 . . ?
C34 C33 H33 118.8 . . ?
C32 C33 C34 122.4(9) . . ?
C32 C33 H33 118.8 . . ?
C26 C25 C24 118.0(8) . . ?
C26 C25 H25 121.0 . . ?
C24 C25 H25 121.0 . . ?
C3 C4 H4 120.9 . . ?
C5 C4 C3 118.1(8) . . ?
C5 C4 H4 120.9 . . ?
C31 C32 H32 120.5 . . ?
C33 C32 C31 119.1(8) . . ?
C33 C32 H32 120.5 . . ?
O16 C64 C63 114.6(10) . . ?
O15 C64 O16 129.0(9) . . ?
O15 C64 C63 112.7(10) . . ?
C58 C57 H57A 109.5 . . ?
C58 C57 H57B 109.5 . . ?
C58 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy2 O2 C8 N2 173.6(6) . . . . ?
Dy2 O2 C8 C9 -5.1(8) . . . . ?
Dy2 O3 C21 N5 -176.4(6) . . . . ?
Dy2 O3 C21 C20 2.4(9) . . . . ?
Dy2 O13 C62 O14 -4.5(6) . . . . ?
Dy2 O13 C62 C61 173.3(6) . . . . ?
Dy2 O14 C62 O13 4.7(6) . . . . ?
Dy2 O14 C62 C61 -173.2(6) . . . . ?
Dy2 N3 C9 C8 7.1(8) . . . . ?
Dy2 N3 C9 C10 -173.6(5) . . . . ?
Dy2 N3 C13 C14 -6.5(8) . . . . ?
Dy2 N3 C13 C12 172.8(6) . . . . ?
Dy2 N4 C20 C21 -4.3(9) . . . . ?
Dy2 N4 C20 C19 175.7(7) . . . . ?
Dy2 N4 C14 C13 3.9(9) . . . . ?
Dy2 N4 C14 C15 -173.8(6) . . . . ?
Dy4 O7 C49 N11 -177.4(5) . . . . ?
Dy4 O7 C49 C48 5.3(9) . . . . ?
Dy4 O6 C36 N8 -172.7(5) . . . . ?
Dy4 O6 C36 C37 9.0(9) . . . . ?
Dy4 O16 C64 O15 -136(2) . . . . ?
Dy4 O16 C64 C63 20(4) . . . . ?
Dy4 O17 C66 O18 34.9(8) . . . . ?
Dy4 O17 C66 C65 -138.9(6) . . . . ?
Dy4 N9 C37 C36 -6.3(8) . . . . ?
Dy4 N9 C37 C38 170.6(5) . . . . ?
Dy4 N9 C41 C42 10.3(7) . . . . ?
Dy4 N9 C41 C40 -169.6(5) . . . . ?
Dy4 N10 C42 C43 171.2(5) . . . . ?
Dy4 N10 C42 C41 -4.7(8) . . . . ?
Dy4 N10 C48 C47 -175.2(5) . . . . ?
Dy4 N10 C48 C49 5.4(7) . . . . ?
Dy3 O6 C36 N8 6.5(10) . . . . ?
Dy3 O6 C36 C37 -171.8(4) . . . . ?
Dy3 O3 C21 N5 9.4(10) . . . . ?
Dy3 O3 C21 C20 -171.8(5) . . . . ?
Dy3 O14 C62 Dy2 -160.7(9) . . . . ?
Dy3 O14 C62 O13 -156.1(6) . . . . ?
Dy3 O14 C62 C61 26.1(12) . . . . ?
Dy3 O17 C66 O18 -137.1(6) . . . . ?
Dy3 O17 C66 C65 49.0(9) . . . . ?
Dy3 O5 C29 C30 122.6(6) . . . . ?
Dy3 O5 C29 C34 -59.6(8) . . . . ?
Dy3 O4 C28 C23 -42.6(10) . . . . ?
Dy3 O4 C28 C27 139.8(6) . . . . ?
Dy3 N6 N5 C21 -10.1(8) . . . . ?
Dy3 N6 C22 C23 11.3(13) . . . . ?
Dy3 N7 C35 C34 10.8(11) . . . . ?
Dy1 O2 C8 N2 -13.2(9) . . . . ?
Dy1 O2 C8 C9 168.1(5) . . . . ?
Dy1 O1 C1 C6 -15.9(13) . . . . ?
Dy1 O1 C1 C2 164.3(7) . . . . ?
Dy1 O13 C62 Dy2 147.3(8) . . . . ?
Dy1 O13 C62 O14 142.8(6) . . . . ?
Dy1 O13 C62 C61 -39.3(11) . . . . ?
Dy1 O15 C64 O16 48(2) . . . . ?
Dy1 O15 C64 C63 -108.5(11) . . . . ?
Dy1 O11 C60 O12 -2.9(7) . . . . ?
Dy1 O11 C60 C59 175.2(6) . . . . ?
Dy1 O9 C58 O10 130.4(8) . . . . ?
Dy1 O9 C58 C57 -54.4(15) . . . . ?
Dy1 O12 C60 O11 2.8(7) . . . . ?
Dy1 O12 C60 C59 -175.2(6) . . . . ?
Dy1 N1 N2 C8 13.5(8) . . . . ?
Dy1 N1 C7 C6 -10.0(12) . . . . ?
Dy5 O7 C49 N11 16.9(9) . . . . ?
Dy5 O7 C49 C48 -160.4(4) . . . . ?
Dy5 O8 C56 C51 -42.9(11) . . . . ?
Dy5 O8 C56 C55 138.3(7) . . . . ?
Dy5 O18 C66 O17 23.3(12) . . . . ?
Dy5 O18 C66 C65 -163.1(6) . . . . ?
Dy5 O10 C58 O9 -11.3(15) . . . . ?
Dy5 O10 C58 C57 173.4(7) . . . . ?
Dy5 N12 N11 C49 -16.0(7) . . . . ?
Dy5 N12 C50 C51 14.0(10) . . . . ?
O7 C49 C48 C47 174.0(7) . . . . ?
O7 C49 C48 N10 -6.5(9) . . . . ?
O2 C8 C9 N3 -1.8(9) . . . . ?
O2 C8 C9 C10 178.9(7) . . . . ?
O6 C36 C37 N9 -1.0(9) . . . . ?
O6 C36 C37 C38 -177.8(7) . . . . ?
O8 C56 C55 C54 177.3(8) . . . . ?
O1 C1 C6 C7 2.5(12) . . . . ?
O1 C1 C6 C5 -178.4(8) . . . . ?
O1 C1 C2 C3 -179.9(9) . . . . ?
N9 C37 C38 C39 0.4(11) . . . . ?
O5 C29 C30 C31 178.2(7) . . . . ?
O5 C29 C34 C35 7.4(12) . . . . ?
O5 C29 C34 C33 -177.3(7) . . . . ?
O4 C28 C23 C24 -176.2(7) . . . . ?
O4 C28 C23 C22 3.3(12) . . . . ?
O4 C28 C27 C26 177.3(8) . . . . ?
N1 N2 C8 O2 -0.2(10) . . . . ?
N1 N2 C8 C9 178.5(6) . . . . ?
N6 N5 C21 O3 0.8(11) . . . . ?
N6 N5 C21 C20 -178.0(6) . . . . ?
N8 N7 C35 C34 173.3(7) . . . . ?
N8 C36 C37 N9 -179.3(7) . . . . ?
N8 C36 C37 C38 3.9(11) . . . . ?
N12 N11 C49 O7 0.6(9) . . . . ?
N12 N11 C49 C48 177.8(6) . . . . ?
N2 N1 C7 C6 179.4(7) . . . . ?
N2 C8 C9 N3 179.4(6) . . . . ?
N2 C8 C9 C10 0.1(11) . . . . ?
N11 N12 C50 C51 -176.8(6) . . . . ?
N11 C49 C48 C47 -3.3(11) . . . . ?
N11 C49 C48 N10 176.2(6) . . . . ?
N5 N6 C22 C23 177.9(8) . . . . ?
N3 C13 C12 C17 179.9(7) . . . . ?
N3 C13 C12 C11 0.9(11) . . . . ?
N7 N8 C36 O6 0.2(10) . . . . ?
N7 N8 C36 C37 178.4(6) . . . . ?
N7 C35 C34 C29 16.0(13) . . . . ?
N7 C35 C34 C33 -159.3(9) . . . . ?
C36 N8 N7 Dy3 -6.3(8) . . . . ?
C36 N8 N7 C35 -169.7(7) . . . . ?
C36 C37 C38 C39 177.0(7) . . . . ?
C29 C30 C31 C32 -1.0(13) . . . . ?
C29 C34 C33 C32 -0.8(14) . . . . ?
N4 C20 C21 O3 1.4(10) . . . . ?
N4 C20 C21 N5 -179.6(7) . . . . ?
N4 C20 C19 C18 -1.4(15) . . . . ?
N4 C14 C13 N3 1.6(10) . . . . ?
N4 C14 C13 C12 -177.7(7) . . . . ?
N4 C14 C15 C16 178.4(8) . . . . ?
N4 C14 C15 C18 -2.2(13) . . . . ?
N10 C42 C43 C44 -175.6(6) . . . . ?
N10 C42 C43 C46 5.3(10) . . . . ?
N10 C42 C41 N9 -3.7(9) . . . . ?
N10 C42 C41 C40 176.3(6) . . . . ?
C20 N4 C14 C13 179.6(7) . . . . ?
C20 N4 C14 C15 1.9(11) . . . . ?
C20 C19 C18 C15 1.0(17) . . . . ?
C14 N4 C20 C21 180.0(6) . . . . ?
C14 N4 C20 C19 0.0(12) . . . . ?
C14 C13 C12 C17 -0.8(12) . . . . ?
C14 C13 C12 C11 -179.9(7) . . . . ?
C14 C15 C18 C19 0.7(15) . . . . ?
C51 C56 C55 C54 -1.6(12) . . . . ?
C51 C52 C53 C54 2.8(12) . . . . ?
C42 N10 C48 C47 0.5(10) . . . . ?
C42 N10 C48 C49 -178.9(6) . . . . ?
C42 C43 C46 C47 -2.3(11) . . . . ?
C48 C47 C46 C43 -1.3(11) . . . . ?
C48 N10 C42 C43 -4.5(10) . . . . ?
C48 N10 C42 C41 179.6(6) . . . . ?
C21 C20 C19 C18 178.6(9) . . . . ?
C45 C40 C41 N9 179.3(6) . . . . ?
C45 C40 C41 C42 -0.6(9) . . . . ?
C45 C40 C39 C38 -179.6(7) . . . . ?
C45 C44 C43 C42 -0.2(11) . . . . ?
C45 C44 C43 C46 178.8(8) . . . . ?
C40 C45 C44 C43 -0.2(12) . . . . ?
C44 C45 C40 C41 0.6(10) . . . . ?
C44 C45 C40 C39 -177.9(7) . . . . ?
C44 C43 C46 C47 178.7(7) . . . . ?
C35 C34 C33 C32 174.8(9) . . . . ?
C37 N9 C41 C42 -178.6(6) . . . . ?
C37 N9 C41 C40 1.5(10) . . . . ?
C37 C38 C39 C40 -1.0(11) . . . . ?
C43 C42 C41 N9 -179.7(6) . . . . ?
C43 C42 C41 C40 0.2(9) . . . . ?
C41 N9 C37 C36 -177.5(6) . . . . ?
C41 N9 C37 C38 -0.6(10) . . . . ?
C41 C42 C43 C44 0.2(10) . . . . ?
C41 C42 C43 C46 -178.9(6) . . . . ?
C41 C40 C39 C38 1.8(10) . . . . ?
C9 N3 C13 C14 -180.0(6) . . . . ?
C9 N3 C13 C12 -0.7(10) . . . . ?
C9 C10 C11 C12 -0.1(12) . . . . ?
C50 N12 N11 C49 173.5(6) . . . . ?
C50 C51 C56 O8 -0.6(12) . . . . ?
C50 C51 C56 C55 178.2(7) . . . . ?
C50 C51 C52 C53 -179.2(7) . . . . ?
C19 C20 C21 O3 -178.5(8) . . . . ?
C19 C20 C21 N5 0.4(12) . . . . ?
C46 C47 C48 C49 -178.3(7) . . . . ?
C46 C47 C48 N10 2.3(11) . . . . ?
C56 C51 C50 N12 11.7(11) . . . . ?
C56 C51 C52 C53 -3.5(11) . . . . ?
C56 C55 C54 C53 1.0(14) . . . . ?
C13 N3 C9 C8 -179.2(6) . . . . ?
C13 N3 C9 C10 0.1(10) . . . . ?
C13 C14 C15 C16 0.6(12) . . . . ?
C13 C14 C15 C18 -179.9(8) . . . . ?
C13 C12 C17 C16 0.7(13) . . . . ?
C13 C12 C11 C10 -0.4(12) . . . . ?
C30 C29 C34 C35 -174.8(8) . . . . ?
C30 C29 C34 C33 0.5(11) . . . . ?
C30 C31 C32 C33 0.8(15) . . . . ?
C55 C54 C53 C52 -1.6(13) . . . . ?
C1 C6 C7 N1 8.8(12) . . . . ?
C1 C6 C5 C4 -1.5(14) . . . . ?
C1 C2 C3 C4 -2.0(15) . . . . ?
C6 C1 C2 C3 0.3(13) . . . . ?
C6 C5 C4 C3 -0.1(15) . . . . ?
C39 C40 C41 N9 -2.0(10) . . . . ?
C39 C40 C41 C42 178.0(6) . . . . ?
C28 C23 C24 C25 -0.8(13) . . . . ?
C28 C23 C22 N6 9.0(14) . . . . ?
C28 C27 C26 C25 -1.5(14) . . . . ?
C16 C15 C18 C19 -179.9(10) . . . . ?
C23 C28 C27 C26 -0.4(12) . . . . ?
C23 C24 C25 C26 -1.0(14) . . . . ?
C17 C12 C11 C10 -179.4(8) . . . . ?
C17 C16 C15 C14 -0.8(14) . . . . ?
C17 C16 C15 C18 179.9(10) . . . . ?
C52 C51 C50 N12 -172.7(7) . . . . ?
C52 C51 C56 O8 -176.1(7) . . . . ?
C52 C51 C56 C55 2.8(11) . . . . ?
C2 C1 C6 C7 -177.7(8) . . . . ?
C2 C1 C6 C5 1.4(12) . . . . ?
C2 C3 C4 C5 1.8(16) . . . . ?
C7 N1 N2 C8 -174.4(6) . . . . ?
C7 C6 C5 C4 177.6(9) . . . . ?
C34 C29 C30 C31 0.4(11) . . . . ?
C34 C33 C32 C31 0.1(16) . . . . ?
C11 C10 C9 N3 0.3(12) . . . . ?
C11 C10 C9 C8 179.6(7) . . . . ?
C11 C12 C17 C16 179.7(9) . . . . ?
C15 C14 C13 N3 179.4(7) . . . . ?
C15 C14 C13 C12 0.2(11) . . . . ?
C15 C16 C17 C12 0.1(15) . . . . ?
C27 C28 C23 C24 1.6(11) . . . . ?
C27 C28 C23 C22 -179.0(8) . . . . ?
C27 C26 C25 C24 2.2(15) . . . . ?
C5 C6 C7 N1 -170.3(8) . . . . ?
C24 C23 C22 N6 -171.5(8) . . . . ?
C22 N6 N5 C21 -178.3(7) . . . . ?
C22 C23 C24 C25 179.7(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_1203_1_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 1937472'
loop_
_audit_author_name
_audit_author_address
ting
;guangxishifandaxue
China
;
_audit_update_record             
;
2019-07-01 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
_audit_creation_date             2019-03-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C71 H53 Gd5 N16 O22, 3(C H4 O)'
_chemical_formula_sum            'C74 H65 Gd5 N16 O25'
_chemical_formula_weight         2364.67
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.3903(11)
_cell_length_b                   17.2122(14)
_cell_length_c                   20.4239(16)
_cell_angle_alpha                111.207(3)
_cell_angle_beta                 90.116(4)
_cell_angle_gamma                101.204(3)
_cell_volume                     4932.3(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9064
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.46
_cell_measurement_theta_min      2.41
_shelx_estimated_absorpt_T_max   0.649
_shelx_estimated_absorpt_T_min   0.473
_exptl_absorpt_coefficient_mu    3.387
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0905 before and 0.0646 after correction.
The Ratio of minimum to maximum transmission is 0.7918.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2282
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1003
_diffrn_reflns_av_unetI/netI     0.0810
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            81851
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         2.175
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12387
_reflns_number_total             19104
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         2.473
_refine_diff_density_min         -1.866
_refine_diff_density_rms         0.201
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1097
_refine_ls_number_reflns         19104
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.0988
_refine_ls_R_factor_gt           0.0531
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0880P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1534
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O22-H22A
 0.87 with sigma of 0.01
 H25-H22A
 2.2 with sigma of 0.02
 H19B-H23
 2.2 with sigma of 0.02
 C71-H22A
 2.030565 with sigma of 0.02
 Gd4-H22A
 2.963635 with sigma of 0.02
3. Rigid bond restraints
 O23, C73
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C71, O22
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(O23) \\sim Ueq, Uanis(C73) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C57) \\sim Ueq, Uanis(C56) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C54) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5.a Rotating group:
 O19(H19A,H19B)
5.b Aromatic/amide H refined with riding coordinates:
 C54(H54), C3(H3), C22(H22), C7(H7), C10(H10), C52(H52), C40(H40), C41(H41),
 C32(H32), C34(H34), C45(H45), C11(H11), C15(H15), C2(H2), C21(H21), C51(H51),
 C33(H33), C5(H5), C46(H46), C59(H59), C37(H37), C16(H16), C35(H35), C4(H4),
 C29(H29), C24(H24), C56(H56), C58(H58), C26(H26), C28(H28), C27(H27), C57(H57)
5.c Idealised Me refined as rotating group:
 C61(H61A,H61B,H61C), C65(H65A,H65B,H65C), C63(H63A,H63B,H63C), C69(H69A,H69B,
 H69C), C67(H67A,H67B,H67C), C71(H71A,H71B,H71C), C4AA(H4AA,H4AB,H4AC),
 C72(H72A,H72B,H72C), C73(H73A,H73B,H73C)
5.d Idealised tetrahedral OH refined as rotating group:
 O23(H23), O24(H24A), O25(H25)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd2 Gd 0.33934(3) 0.48683(3) 0.33787(2) 0.02291(11) Uani 1 1 d . . . . .
Gd1 Gd 0.46699(3) 0.31204(3) 0.28825(2) 0.02423(11) Uani 1 1 d . . . . .
Gd3 Gd 0.10545(3) 0.19275(3) 0.20142(2) 0.02591(12) Uani 1 1 d . . . . .
Gd4 Gd 0.33385(3) 0.28492(3) 0.12219(2) 0.02392(11) Uani 1 1 d D . . . .
Gd5 Gd 0.35608(3) 0.54468(3) 0.16771(2) 0.02660(12) Uani 1 1 d . . . . .
C54 C 0.0860(6) -0.0190(6) 0.1782(5) 0.034(2) Uani 1 1 d . U . . .
H54 H 0.099376 -0.072885 0.152261 0.040 Uiso 1 1 calc R . . . .
C61 C -0.0701(8) 0.1723(8) 0.0317(6) 0.068(4) Uani 1 1 d . . . . .
H61A H -0.036399 0.213398 0.013278 0.101 Uiso 1 1 calc GR . . . .
H61B H -0.126544 0.188462 0.046750 0.101 Uiso 1 1 calc GR . . . .
H61C H -0.081854 0.115288 -0.005328 0.101 Uiso 1 1 calc GR . . . .
O18 O 0.3591(4) 0.2081(4) 0.3042(3) 0.0315(15) Uani 1 1 d . . . . .
O1 O 0.5807(4) 0.2468(4) 0.2797(3) 0.0361(16) Uani 1 1 d . . . . .
O19 O 0.4600(4) 0.6011(4) 0.3993(3) 0.0311(15) Uani 1 1 d . . . . .
H19A H 0.456939 0.616910 0.445797 0.047 Uiso 1 1 d GR . . . .
H19B H 0.455377 0.647761 0.391154 0.047 Uiso 1 1 d DGR . . . .
C20 C 0.2218(5) 0.6450(6) 0.3767(5) 0.031(2) Uani 1 1 d . . . . .
C3 C 0.7026(6) 0.0968(6) 0.3026(5) 0.039(2) Uani 1 1 d . . . . .
H3 H 0.736852 0.057682 0.275933 0.047 Uiso 1 1 calc R . . . .
O9 O -0.0293(4) 0.2154(4) 0.1544(4) 0.0390(16) Uani 1 1 d . . . . .
O15 O 0.4448(4) 0.5131(4) 0.2537(3) 0.0275(14) Uani 1 1 d . . . . .
O11 O 0.0771(4) 0.3159(4) 0.2912(3) 0.0344(15) Uani 1 1 d . . . . .
C22 C 0.1561(6) 0.7181(6) 0.4784(5) 0.031(2) Uani 1 1 d . . . . .
H22 H 0.123889 0.760346 0.502828 0.038 Uiso 1 1 calc R . . . .
O21 O 0.4517(4) 0.2584(4) 0.1704(3) 0.0326(15) Uani 1 1 d . . . . .
O16 O 0.5339(4) 0.4417(4) 0.2816(3) 0.0324(15) Uani 1 1 d . . . . .
O14 O 0.2541(4) 0.4155(4) 0.1554(3) 0.0325(15) Uani 1 1 d . . . . .
O8 O 0.0217(4) 0.1297(4) 0.2617(4) 0.0408(17) Uani 1 1 d . . . . .
O6 O 0.4077(4) 0.4157(4) 0.1074(3) 0.0286(14) Uani 1 1 d . . . . .
N2 N 0.4656(5) 0.3664(5) 0.4682(4) 0.0311(18) Uani 1 1 d . . . . .
O4 O 0.2914(4) 0.5305(4) 0.0660(3) 0.0408(17) Uani 1 1 d . . . . .
N14 N 0.3497(5) 0.1331(5) 0.0408(4) 0.0273(17) Uani 1 1 d . . . . .
N6 N 0.2583(4) 0.6018(5) 0.4095(4) 0.0273(17) Uani 1 1 d . . . . .
N12 N 0.6275(5) 0.0975(5) -0.1343(4) 0.0358(19) Uani 1 1 d . . . . .
N13 N 0.5090(5) -0.0475(5) -0.1324(4) 0.0335(19) Uani 1 1 d . . . . .
C6 C 0.6019(6) 0.2123(6) 0.3818(5) 0.033(2) Uani 1 1 d . . . . .
N7 N 0.2020(5) 0.6508(5) 0.2628(4) 0.039(2) Uani 1 1 d . . . . .
N15 N 0.1866(5) 0.0191(5) 0.1121(4) 0.0334(19) Uani 1 1 d . . . . .
O12 O 0.1976(4) 0.4193(4) 0.3289(3) 0.0328(15) Uani 1 1 d . . . . .
C7 C 0.5529(6) 0.2693(6) 0.4279(5) 0.033(2) Uani 1 1 d . . . . .
H7 H 0.552346 0.272815 0.475412 0.040 Uiso 1 1 calc R . . . .
O13 O 0.1715(4) 0.3001(4) 0.1584(3) 0.0298(14) Uani 1 1 d . . . . .
O17 O 0.2230(4) 0.2262(4) 0.2863(3) 0.0317(15) Uani 1 1 d . . . . .
C12 C 0.2649(5) 0.5732(6) 0.5787(4) 0.0246(19) Uani 1 1 d . . . . .
N10 N 0.5296(5) 0.4902(5) 0.0732(4) 0.0330(18) Uani 1 1 d . . . . .
N5 N 0.1265(5) 0.7383(5) 0.6235(4) 0.0305(18) Uani 1 1 d . . . . .
O3 O 0.2976(4) 0.5700(4) 0.2801(3) 0.0287(14) Uani 1 1 d . . . . .
N11 N 0.4529(5) 0.2708(5) 0.0325(4) 0.0293(17) Uani 1 1 d . . . . .
N1 N 0.5088(4) 0.3169(5) 0.4097(4) 0.0259(16) Uani 1 1 d . . . . .
O7 O 0.2330(4) 0.1647(4) 0.1350(3) 0.0268(14) Uani 1 1 d . . . . .
C14 C 0.2107(5) 0.6321(6) 0.6183(5) 0.028(2) Uani 1 1 d . . . . .
O5 O 0.4252(4) 0.6830(4) 0.2187(3) 0.0367(16) Uani 1 1 d . . . . .
C66 C 0.1790(6) 0.3761(6) 0.1617(4) 0.027(2) Uani 1 1 d . . . . .
C47 C 0.4986(6) 0.0294(6) -0.0925(4) 0.028(2) Uani 1 1 d . . . . .
O10 O 0.0425(4) 0.1273(4) 0.0798(3) 0.0415(17) Uani 1 1 d . . . . .
C36 C 0.5529(6) 0.7176(6) 0.1595(5) 0.032(2) Uani 1 1 d . . . . .
C10 C 0.3570(6) 0.4715(6) 0.5672(5) 0.033(2) Uani 1 1 d . . . . .
H10 H 0.386220 0.440204 0.586877 0.040 Uiso 1 1 calc R . . . .
C50 C 0.2994(5) 0.0638(5) 0.0475(4) 0.0238(19) Uani 1 1 d . . . . .
C19 C 0.2408(5) 0.6133(6) 0.4764(5) 0.030(2) Uani 1 1 d . . . . .
O2 O 0.4144(4) 0.4095(4) 0.3834(3) 0.0272(14) Uani 1 1 d . . . . .
C43 C 0.4706(6) 0.1950(6) -0.0078(4) 0.027(2) Uani 1 1 d . . . . .
N3 N 0.3264(4) 0.5097(5) 0.4681(4) 0.0264(17) Uani 1 1 d . . . . .
O20 O 0.3397(3) 0.3502(4) 0.2491(3) 0.0258(14) Uani 1 1 d . . . . .
C52 C 0.3702(6) -0.0327(6) -0.0393(5) 0.031(2) Uani 1 1 d . . . . .
H52 H 0.375638 -0.088814 -0.067543 0.037 Uiso 1 1 calc R . . . .
C39 C 0.5050(6) 0.3405(6) 0.0295(5) 0.032(2) Uani 1 1 d . . . . .
N4 N 0.1992(5) 0.6392(5) 0.6856(4) 0.036(2) Uani 1 1 d . . . . .
C40 C 0.5785(6) 0.3406(7) -0.0110(4) 0.034(2) Uani 1 1 d . . . . .
H40 H 0.613991 0.392271 -0.011219 0.041 Uiso 1 1 calc R . . . .
C9 C 0.3653(5) 0.4638(6) 0.4973(5) 0.028(2) Uani 1 1 d . . . . .
C8 C 0.4193(5) 0.4108(6) 0.4465(4) 0.0243(19) Uani 1 1 d . . . . .
C41 C 0.5969(6) 0.2630(7) -0.0504(5) 0.037(2) Uani 1 1 d . . . . .
H41 H 0.646716 0.260391 -0.077885 0.044 Uiso 1 1 calc R . . . .
C70 C 0.5227(6) 0.5010(6) 0.2628(4) 0.030(2) Uani 1 1 d . . . . .
C53 C 0.2335(6) 0.0840(6) 0.1029(5) 0.030(2) Uani 1 1 d . . . . .
O22 O 0.2496(4) 0.2548(4) 0.0139(3) 0.0407(17) Uani 1 1 d D U . . .
H22A H 0.216(4) 0.2040(13) -0.008(2) 0.061 Uiso 1 1 d DR . . . .
C13 C 0.2788(5) 0.5641(6) 0.5093(4) 0.026(2) Uani 1 1 d . . . . .
C49 C 0.4139(6) 0.1195(6) -0.0044(5) 0.029(2) Uani 1 1 d . . . . .
C32 C 0.4863(6) 0.8275(6) 0.2424(5) 0.036(2) Uani 1 1 d . . . . .
H32 H 0.441471 0.843739 0.273408 0.043 Uiso 1 1 calc R . . . .
C34 C 0.6181(7) 0.8677(7) 0.1855(6) 0.046(3) Uani 1 1 d . . . . .
H34 H 0.662674 0.910103 0.178654 0.056 Uiso 1 1 calc R . . . .
C45 C 0.6349(7) 0.0202(6) -0.1731(5) 0.040(2) Uani 1 1 d . . . . .
H45 H 0.682341 0.013014 -0.203009 0.048 Uiso 1 1 calc R . . . .
C1 C 0.6153(5) 0.2026(6) 0.3105(5) 0.032(2) Uani 1 1 d . . . . .
C62 C -0.0176(6) 0.1719(7) 0.0928(5) 0.039(2) Uani 1 1 d . . . . .
N8 N 0.2228(5) 0.6150(5) 0.1916(4) 0.038(2) Uani 1 1 d . . . . .
C11 C 0.3056(6) 0.5253(6) 0.6071(5) 0.032(2) Uani 1 1 d . . . . .
H11 H 0.297724 0.530045 0.654431 0.039 Uiso 1 1 calc R . . . .
C15 C 0.1535(6) 0.6968(6) 0.7210(5) 0.036(2) Uani 1 1 d . . . . .
H15 H 0.144876 0.705793 0.769045 0.043 Uiso 1 1 calc R . . . .
C2 C 0.6652(6) 0.1444(6) 0.2716(5) 0.040(3) Uani 1 1 d . . . . .
H2 H 0.673887 0.137153 0.223875 0.048 Uiso 1 1 calc R . . . .
C21 C 0.1706(6) 0.7035(7) 0.4107(5) 0.039(2) Uani 1 1 d . . . . .
H21 H 0.145983 0.732776 0.386246 0.046 Uiso 1 1 calc R . . . .
C17 C 0.1751(5) 0.6798(6) 0.5878(4) 0.027(2) Uani 1 1 d . . . . .
C51 C 0.3069(6) -0.0195(6) 0.0080(5) 0.033(2) Uani 1 1 d . . . . .
H51 H 0.268531 -0.066406 0.013948 0.039 Uiso 1 1 calc R . . . .
C44 C 0.5566(6) 0.1036(6) -0.0939(5) 0.031(2) Uani 1 1 d . . . . .
C65 C 0.1001(6) 0.4175(7) 0.1741(5) 0.041(3) Uani 1 1 d . . . . .
H65A H 0.102934 0.454993 0.223741 0.062 Uiso 1 1 calc GR . . . .
H65B H 0.045339 0.373529 0.162462 0.062 Uiso 1 1 calc GR . . . .
H65C H 0.100387 0.451148 0.144275 0.062 Uiso 1 1 calc GR . . . .
C64 C 0.1151(6) 0.3888(6) 0.3295(5) 0.036(2) Uani 1 1 d . . . . .
C48 C 0.4269(6) 0.0383(6) -0.0453(4) 0.031(2) Uani 1 1 d . . . . .
C68 C 0.2754(6) 0.1900(7) 0.3060(5) 0.038(2) Uani 1 1 d . . . . .
C33 C 0.5502(7) 0.8902(7) 0.2325(5) 0.044(3) Uani 1 1 d . . . . .
H33 H 0.549066 0.948541 0.256983 0.053 Uiso 1 1 calc R . . . .
C38 C 0.4782(6) 0.4220(5) 0.0739(4) 0.028(2) Uani 1 1 d . . . . .
C5 C 0.6412(6) 0.1633(7) 0.4108(6) 0.045(3) Uani 1 1 d . . . . .
H5 H 0.633492 0.170141 0.458563 0.054 Uiso 1 1 calc R . . . .
C63 C 0.0618(8) 0.4475(8) 0.3785(7) 0.090(5) Uani 1 1 d . . . . .
H63A H -0.000997 0.428515 0.361076 0.134 Uiso 1 1 calc GR . . . .
H63B H 0.083518 0.505737 0.380332 0.134 Uiso 1 1 calc GR . . . .
H63C H 0.068495 0.446285 0.425832 0.134 Uiso 1 1 calc GR . . . .
C69 C 0.6007(7) 0.5597(8) 0.2520(5) 0.051(3) Uani 1 1 d . . . . .
H69A H 0.612442 0.539545 0.202153 0.077 Uiso 1 1 calc GR . . . .
H69B H 0.652714 0.561190 0.280545 0.077 Uiso 1 1 calc GR . . . .
H69C H 0.588375 0.617035 0.266263 0.077 Uiso 1 1 calc GR . . . .
C42 C 0.5427(6) 0.1878(6) -0.0502(4) 0.032(2) Uani 1 1 d . . . . .
C18 C 0.1890(5) 0.6703(6) 0.5143(4) 0.027(2) Uani 1 1 d . . . . .
C31 C 0.4860(6) 0.7404(6) 0.2079(5) 0.036(2) Uani 1 1 d . . . . .
C60 C -0.0082(6) 0.0566(7) 0.2686(5) 0.034(2) Uani 1 1 d . . . . .
N9 N 0.5012(5) 0.5643(5) 0.1159(4) 0.0338(18) Uani 1 1 d . . . . .
C23 C 0.2424(6) 0.6216(6) 0.3024(5) 0.029(2) Uani 1 1 d . . . . .
C67 C 0.2387(7) 0.1210(7) 0.3339(6) 0.053(3) Uani 1 1 d . . . . .
H67A H 0.263405 0.070588 0.309869 0.079 Uiso 1 1 calc GR . . . .
H67B H 0.173803 0.105951 0.325412 0.079 Uiso 1 1 calc GR . . . .
H67C H 0.254998 0.141809 0.384672 0.079 Uiso 1 1 calc GR . . . .
C71 C 0.2160(8) 0.3194(8) -0.0122(6) 0.069(4) Uani 1 1 d D U . . .
H71A H 0.216824 0.300357 -0.063548 0.104 Uiso 1 1 calc GR . . . .
H71B H 0.254750 0.375836 0.009672 0.104 Uiso 1 1 calc GR . . . .
H71C H 0.155122 0.322374 0.000880 0.104 Uiso 1 1 calc GR . . . .
C46 C 0.5766(7) -0.0516(7) -0.1725(5) 0.046(3) Uani 1 1 d . . . . .
H46 H 0.585389 -0.106003 -0.202204 0.055 Uiso 1 1 calc R . . . .
C59 C -0.0720(7) 0.0511(7) 0.3187(6) 0.050(3) Uani 1 1 d . . . . .
H59 H -0.094114 0.100050 0.345278 0.060 Uiso 1 1 calc R . . . .
C37 C 0.5581(6) 0.6325(6) 0.1197(5) 0.035(2) Uani 1 1 d . . . . .
H37 H 0.608283 0.624429 0.093015 0.042 Uiso 1 1 calc R . . . .
C55 C 0.0213(7) -0.0167(7) 0.2311(6) 0.044(3) Uani 1 1 d . . . . .
C16 C 0.1173(6) 0.7453(6) 0.6893(5) 0.034(2) Uani 1 1 d . . . . .
H16 H 0.084477 0.785250 0.717003 0.041 Uiso 1 1 calc R . . . .
C35 C 0.6163(7) 0.7846(7) 0.1515(6) 0.048(3) Uani 1 1 d . . . . .
H35 H 0.660678 0.769506 0.119748 0.058 Uiso 1 1 calc R . . . .
C4 C 0.6896(6) 0.1066(7) 0.3729(6) 0.046(3) Uani 1 1 d . . . . .
H4 H 0.714530 0.073857 0.393748 0.055 Uiso 1 1 calc R . . . .
O23 O 0.4618(7) 0.7309(6) 0.3623(5) 0.095(3) Uani 1 1 d . U . . .
H23 H 0.438251 0.716170 0.321307 0.142 Uiso 1 1 calc DGR . . . .
C29 C 0.2189(8) 0.5194(8) -0.0396(6) 0.063(3) Uani 1 1 d . . . . .
H29 H 0.257892 0.485282 -0.065806 0.075 Uiso 1 1 calc R . . . .
O24 O 0.6365(5) 0.2360(5) 0.1436(4) 0.055(2) Uani 1 1 d . . . . .
H24A H 0.603357 0.240976 0.176913 0.083 Uiso 1 1 calc GR . . . .
O25 O 0.1315(6) 0.1127(5) -0.0363(4) 0.077(3) Uani 1 1 d . . . . .
H25 H 0.108802 0.101467 -0.002598 0.115 Uiso 1 1 calc DGR . . . .
C25 C 0.1674(7) 0.5961(8) 0.0731(6) 0.053(3) Uani 1 1 d . . . . .
N16 N 0.1254(5) 0.0427(5) 0.1637(4) 0.0342(19) Uani 1 1 d . . . . .
C24 C 0.1669(7) 0.6273(8) 0.1491(6) 0.052(3) Uani 1 1 d . . . . .
H24 H 0.123247 0.658899 0.169825 0.063 Uiso 1 1 calc R . . . .
C4AA C 0.6807(8) 0.3169(8) 0.1476(7) 0.067(4) Uani 1 1 d . . . . .
H4AA H 0.710251 0.311985 0.104279 0.101 Uiso 1 1 calc GR . . . .
H4AB H 0.725077 0.341795 0.188061 0.101 Uiso 1 1 calc GR . . . .
H4AC H 0.637665 0.353605 0.153329 0.101 Uiso 1 1 calc GR . . . .
C72 C 0.1348(9) 0.0379(8) -0.0912(7) 0.076(4) Uani 1 1 d . . . . .
H72A H 0.174952 0.050199 -0.125023 0.113 Uiso 1 1 calc GR . . . .
H72B H 0.075104 0.010999 -0.114772 0.113 Uiso 1 1 calc GR . . . .
H72C H 0.156537 -0.000797 -0.072963 0.113 Uiso 1 1 calc GR . . . .
C56 C -0.0129(9) -0.0944(8) 0.2421(7) 0.070(4) Uani 1 1 d . U . . .
H56 H 0.007967 -0.144550 0.216719 0.084 Uiso 1 1 calc R . . . .
C58 C -0.1007(9) -0.0222(8) 0.3286(8) 0.079(5) Uani 1 1 d . . . . .
H58 H -0.140143 -0.022987 0.364182 0.095 Uiso 1 1 calc R . . . .
C26 C 0.1010(10) 0.6145(12) 0.0375(7) 0.097(6) Uani 1 1 d . . . . .
H26 H 0.059906 0.645962 0.063605 0.116 Uiso 1 1 calc R . . . .
C28 C 0.1548(10) 0.5395(11) -0.0741(7) 0.089(5) Uani 1 1 d . . . . .
H28 H 0.151216 0.521237 -0.124041 0.107 Uiso 1 1 calc R . . . .
C27 C 0.0944(12) 0.5874(12) -0.0351(8) 0.113(7) Uani 1 1 d . . . . .
H27 H 0.049598 0.600785 -0.058791 0.135 Uiso 1 1 calc R . . . .
C30 C 0.2267(7) 0.5491(8) 0.0340(6) 0.052(3) Uani 1 1 d . . . . .
C57 C -0.0751(9) -0.0959(9) 0.2890(8) 0.081(4) Uani 1 1 d . U . . .
H57 H -0.100810 -0.147966 0.294200 0.098 Uiso 1 1 calc R . . . .
C73 C 0.4457(17) 0.8147(16) 0.4056(13) 0.198(11) Uani 1 1 d . U . . .
H73A H 0.404083 0.831294 0.379357 0.297 Uiso 1 1 calc GR . . . .
H73B H 0.501945 0.856759 0.417579 0.297 Uiso 1 1 calc GR . . . .
H73C H 0.420354 0.812199 0.448975 0.297 Uiso 1 1 calc GR . . . .


_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
Gd2 Gd1 3.7466(6) . ?
Gd2 Gd5 3.9426(7) . ?
Gd2 O19 2.383(6) . ?
Gd2 O15 2.466(5) . ?
Gd2 N6 2.545(7) . ?
Gd2 O12 2.236(6) . ?
Gd2 O3 2.329(6) . ?
Gd2 O2 2.338(5) . ?
Gd2 N3 2.559(7) . ?
Gd2 O20 2.395(5) . ?
Gd1 Gd4 3.7913(6) . ?
Gd1 O18 2.310(6) . ?
Gd1 O1 2.231(6) . ?
Gd1 O21 2.238(6) . ?
Gd1 O16 2.321(6) . ?
Gd1 N1 2.528(7) . ?
Gd1 O2 2.328(5) . ?
Gd1 O20 2.404(5) . ?
Gd3 O9 2.440(6) . ?
Gd3 O11 2.366(6) . ?
Gd3 O8 2.187(6) . ?
Gd3 O13 2.381(6) . ?
Gd3 O17 2.339(6) . ?
Gd3 O7 2.415(5) . ?
Gd3 O10 2.433(6) . ?
Gd3 C62 2.789(10) . ?
Gd3 N16 2.496(8) . ?
Gd4 O21 2.260(6) . ?
Gd4 O14 2.644(6) . ?
Gd4 O6 2.440(6) . ?
Gd4 N14 2.600(7) . ?
Gd4 O13 2.642(6) . ?
Gd4 N11 2.576(7) . ?
Gd4 O7 2.429(6) . ?
Gd4 C66 3.056(9) . ?
Gd4 O20 2.417(5) . ?
Gd4 O22 2.396(6) . ?
Gd5 O15 2.492(6) . ?
Gd5 O14 2.390(6) . ?
Gd5 O6 2.406(6) . ?
Gd5 O4 2.213(7) . ?
Gd5 O3 2.390(6) . ?
Gd5 O5 2.259(6) . ?
Gd5 N8 2.539(8) . ?
Gd5 N9 2.489(8) . ?
C54 H54 0.9500 . ?
C54 C55 1.466(13) . ?
C54 N16 1.249(12) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C61 C62 1.489(14) . ?
O18 C68 1.268(10) . ?
O1 C1 1.326(11) . ?
O19 H19A 0.8921 . ?
O19 H19B 0.8922 . ?
C20 N6 1.356(11) . ?
C20 C21 1.386(12) . ?
C20 C23 1.476(12) . ?
C3 H3 0.9500 . ?
C3 C2 1.401(14) . ?
C3 C4 1.402(14) . ?
O9 C62 1.244(11) . ?
O15 C70 1.281(10) . ?
O11 C64 1.237(11) . ?
C22 H22 0.9500 . ?
C22 C21 1.340(12) . ?
C22 C18 1.438(12) . ?
O16 C70 1.253(10) . ?
O14 C66 1.253(10) . ?
O8 C60 1.310(11) . ?
O6 C38 1.291(9) . ?
N2 N1 1.444(9) . ?
N2 C8 1.320(11) . ?
O4 C30 1.338(12) . ?
N14 C50 1.343(11) . ?
N14 C49 1.348(10) . ?
N6 C19 1.344(11) . ?
N12 C45 1.306(12) . ?
N12 C44 1.368(10) . ?
N13 C47 1.321(11) . ?
N13 C46 1.323(11) . ?
C6 C7 1.428(11) . ?
C6 C1 1.423(13) . ?
C6 C5 1.410(13) . ?
N7 N8 1.424(10) . ?
N7 C23 1.307(11) . ?
N15 C53 1.282(12) . ?
N15 N16 1.414(9) . ?
O12 C64 1.278(10) . ?
C7 H7 0.9500 . ?
C7 N1 1.307(11) . ?
O13 C66 1.267(10) . ?
O17 C68 1.256(11) . ?
C12 C14 1.454(11) . ?
C12 C13 1.391(11) . ?
C12 C11 1.398(12) . ?
N10 C38 1.287(11) . ?
N10 N9 1.411(10) . ?
N5 C17 1.366(10) . ?
N5 C16 1.314(11) . ?
O3 C23 1.312(10) . ?
N11 C43 1.348(11) . ?
N11 C39 1.329(11) . ?
O7 C53 1.306(10) . ?
C14 N4 1.349(11) . ?
C14 C17 1.382(12) . ?
O5 C31 1.304(11) . ?
C66 C65 1.502(12) . ?
C47 C44 1.419(13) . ?
C47 C48 1.460(11) . ?
O10 C62 1.283(11) . ?
C36 C31 1.440(12) . ?
C36 C37 1.412(13) . ?
C36 C35 1.417(13) . ?
C10 H10 0.9500 . ?
C10 C9 1.394(12) . ?
C10 C11 1.374(12) . ?
C50 C53 1.511(11) . ?
C50 C51 1.396(12) . ?
C19 C13 1.454(12) . ?
C19 C18 1.397(11) . ?
O2 C8 1.282(9) . ?
C43 C49 1.442(12) . ?
C43 C42 1.406(11) . ?
N3 C9 1.364(11) . ?
N3 C13 1.349(10) . ?
C52 H52 0.9500 . ?
C52 C51 1.365(12) . ?
C52 C48 1.402(13) . ?
C39 C40 1.403(11) . ?
C39 C38 1.506(12) . ?
N4 C15 1.325(11) . ?
C40 H40 0.9500 . ?
C40 C41 1.371(13) . ?
C9 C8 1.487(11) . ?
C41 H41 0.9500 . ?
C41 C42 1.399(13) . ?
C70 C69 1.483(13) . ?
O22 H22A 0.879(9) . ?
O22 C71 1.561(14) . ?
C49 C48 1.398(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.387(13) . ?
C32 C31 1.405(13) . ?
C34 H34 0.9500 . ?
C34 C33 1.434(14) . ?
C34 C35 1.340(14) . ?
C45 H45 0.9500 . ?
C45 C46 1.383(14) . ?
C1 C2 1.397(12) . ?
N8 C24 1.320(12) . ?
C11 H11 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.414(13) . ?
C2 H2 0.9500 . ?
C21 H21 0.9500 . ?
C17 C18 1.471(11) . ?
C51 H51 0.9500 . ?
C44 C42 1.458(12) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C64 C63 1.513(13) . ?
C68 C67 1.512(14) . ?
C33 H33 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.360(13) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C60 C59 1.436(12) . ?
C60 C55 1.382(13) . ?
N9 C37 1.298(12) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C46 H46 0.9500 . ?
C59 H59 0.9500 . ?
C59 C58 1.339(15) . ?
C37 H37 0.9500 . ?
C55 C56 1.435(16) . ?
C16 H16 0.9500 . ?
C35 H35 0.9500 . ?
C4 H4 0.9500 . ?
O23 H23 0.8400 . ?
O23 C73 1.46(2) . ?
C29 H29 0.9500 . ?
C29 C28 1.377(16) . ?
C29 C30 1.398(15) . ?
O24 H24A 0.8400 . ?
O24 C4AA 1.399(13) . ?
O25 H25 0.8400 . ?
O25 C72 1.377(13) . ?
C25 C24 1.448(14) . ?
C25 C26 1.402(15) . ?
C25 C30 1.396(16) . ?
C24 H24 0.9500 . ?
C4AA H4AA 0.9800 . ?
C4AA H4AB 0.9800 . ?
C4AA H4AC 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C56 H56 0.9500 . ?
C56 C57 1.359(15) . ?
C58 H58 0.9500 . ?
C58 C57 1.368(16) . ?
C26 H26 0.9500 . ?
C26 C27 1.382(18) . ?
C28 H28 0.9500 . ?
C28 C27 1.42(2) . ?
C27 H27 0.9500 . ?
C57 H57 0.9500 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Gd1 Gd2 Gd5 100.133(13) . . ?
O19 Gd2 Gd1 97.21(14) . . ?
O19 Gd2 Gd5 92.12(15) . . ?
O19 Gd2 O15 70.3(2) . . ?
O19 Gd2 N6 78.3(2) . . ?
O19 Gd2 N3 74.8(2) . . ?
O19 Gd2 O20 130.13(18) . . ?
O15 Gd2 Gd1 73.33(14) . . ?
O15 Gd2 Gd5 37.57(13) . . ?
O15 Gd2 N6 120.4(2) . . ?
O15 Gd2 N3 142.8(2) . . ?
N6 Gd2 Gd1 161.77(16) . . ?
N6 Gd2 Gd5 97.69(17) . . ?
N6 Gd2 N3 62.7(2) . . ?
O12 Gd2 Gd1 104.25(16) . . ?
O12 Gd2 Gd5 103.21(16) . . ?
O12 Gd2 O19 150.8(2) . . ?
O12 Gd2 O15 134.9(2) . . ?
O12 Gd2 N6 75.1(2) . . ?
O12 Gd2 O3 89.9(2) . . ?
O12 Gd2 O2 102.6(2) . . ?
O12 Gd2 N3 82.3(2) . . ?
O12 Gd2 O20 77.8(2) . . ?
O3 Gd2 Gd1 133.88(14) . . ?
O3 Gd2 Gd5 33.82(14) . . ?
O3 Gd2 O19 89.3(2) . . ?
O3 Gd2 O15 66.16(19) . . ?
O3 Gd2 N6 64.1(2) . . ?
O3 Gd2 O2 165.78(19) . . ?
O3 Gd2 N3 126.5(2) . . ?
O3 Gd2 O20 106.6(2) . . ?
O2 Gd2 Gd1 36.50(13) . . ?
O2 Gd2 Gd5 134.16(13) . . ?
O2 Gd2 O19 83.1(2) . . ?
O2 Gd2 O15 99.87(19) . . ?
O2 Gd2 N6 125.3(2) . . ?
O2 Gd2 N3 62.9(2) . . ?
O2 Gd2 O20 70.14(19) . . ?
N3 Gd2 Gd1 99.05(16) . . ?
N3 Gd2 Gd5 157.99(17) . . ?
O20 Gd2 Gd1 38.78(13) . . ?
O20 Gd2 Gd5 79.15(14) . . ?
O20 Gd2 O15 73.8(2) . . ?
O20 Gd2 N6 151.3(2) . . ?
O20 Gd2 N3 122.8(2) . . ?
Gd2 Gd1 Gd4 73.409(12) . . ?
O18 Gd1 Gd2 97.94(14) . . ?
O18 Gd1 Gd4 89.23(15) . . ?
O18 Gd1 O16 159.5(2) . . ?
O18 Gd1 N1 75.7(2) . . ?
O18 Gd1 O2 86.8(2) . . ?
O18 Gd1 O20 82.2(2) . . ?
O1 Gd1 Gd2 159.85(17) . . ?
O1 Gd1 Gd4 119.42(16) . . ?
O1 Gd1 O18 97.7(2) . . ?
O1 Gd1 O21 86.8(2) . . ?
O1 Gd1 O16 102.6(2) . . ?
O1 Gd1 N1 72.3(2) . . ?
O1 Gd1 O2 132.3(2) . . ?
O1 Gd1 O20 157.6(2) . . ?
O21 Gd1 Gd2 103.95(15) . . ?
O21 Gd1 Gd4 32.72(15) . . ?
O21 Gd1 O18 96.4(2) . . ?
O21 Gd1 O16 87.6(2) . . ?
O21 Gd1 N1 156.1(2) . . ?
O21 Gd1 O2 140.1(2) . . ?
O21 Gd1 O20 70.98(19) . . ?
O16 Gd1 Gd2 61.64(14) . . ?
O16 Gd1 Gd4 83.39(15) . . ?
O16 Gd1 N1 107.7(2) . . ?
O16 Gd1 O2 77.5(2) . . ?
O16 Gd1 O20 80.1(2) . . ?
N1 Gd1 Gd2 99.50(15) . . ?
N1 Gd1 Gd4 162.44(16) . . ?
O2 Gd1 Gd2 36.67(13) . . ?
O2 Gd1 Gd4 108.06(13) . . ?
O2 Gd1 N1 62.9(2) . . ?
O2 Gd1 O20 70.13(18) . . ?
O20 Gd1 Gd2 38.60(13) . . ?
O20 Gd1 Gd4 38.27(12) . . ?
O20 Gd1 N1 128.60(19) . . ?
O9 Gd3 C62 26.5(2) . . ?
O9 Gd3 N16 117.0(2) . . ?
O11 Gd3 O9 76.5(2) . . ?
O11 Gd3 O13 79.3(2) . . ?
O11 Gd3 O7 132.6(2) . . ?
O11 Gd3 O10 128.3(2) . . ?
O11 Gd3 C62 101.4(3) . . ?
O11 Gd3 N16 149.1(2) . . ?
O8 Gd3 O9 88.1(2) . . ?
O8 Gd3 O11 81.8(2) . . ?
O8 Gd3 O13 160.0(2) . . ?
O8 Gd3 O17 88.6(2) . . ?
O8 Gd3 O7 134.6(2) . . ?
O8 Gd3 O10 106.9(2) . . ?
O8 Gd3 C62 100.4(3) . . ?
O8 Gd3 N16 71.6(2) . . ?
O13 Gd3 O9 81.2(2) . . ?
O13 Gd3 O7 64.8(2) . . ?
O13 Gd3 O10 80.2(2) . . ?
O13 Gd3 C62 77.1(3) . . ?
O13 Gd3 N16 128.4(2) . . ?
O17 Gd3 O9 154.0(2) . . ?
O17 Gd3 O11 77.5(2) . . ?
O17 Gd3 O13 93.7(2) . . ?
O17 Gd3 O7 75.0(2) . . ?
O17 Gd3 O10 150.8(2) . . ?
O17 Gd3 C62 170.7(3) . . ?
O17 Gd3 N16 86.2(2) . . ?
O7 Gd3 O9 123.8(2) . . ?
O7 Gd3 O10 76.5(2) . . ?
O7 Gd3 C62 99.7(2) . . ?
O7 Gd3 N16 65.4(2) . . ?
O10 Gd3 O9 53.6(2) . . ?
O10 Gd3 C62 27.4(3) . . ?
O10 Gd3 N16 75.9(2) . . ?
N16 Gd3 C62 98.7(3) . . ?
O21 Gd4 Gd1 32.37(14) . . ?
O21 Gd4 O14 134.3(2) . . ?
O21 Gd4 O6 98.4(2) . . ?
O21 Gd4 N14 74.2(2) . . ?
O21 Gd4 O13 134.8(2) . . ?
O21 Gd4 N11 73.4(2) . . ?
O21 Gd4 O7 92.5(2) . . ?
O21 Gd4 C66 141.9(2) . . ?
O21 Gd4 O20 70.40(19) . . ?
O21 Gd4 O22 144.3(2) . . ?
O14 Gd4 Gd1 106.29(13) . . ?
O14 Gd4 C66 24.0(2) . . ?
O6 Gd4 Gd1 98.47(14) . . ?
O6 Gd4 O14 60.37(18) . . ?
O6 Gd4 N14 124.1(2) . . ?
O6 Gd4 O13 108.23(19) . . ?
O6 Gd4 N11 63.4(2) . . ?
O6 Gd4 C66 83.9(2) . . ?
N14 Gd4 Gd1 100.82(16) . . ?
N14 Gd4 O14 151.5(2) . . ?
N14 Gd4 O13 115.5(2) . . ?
N14 Gd4 C66 134.9(2) . . ?
O13 Gd4 Gd1 106.21(13) . . ?
O13 Gd4 O14 48.25(18) . . ?
O13 Gd4 C66 24.3(2) . . ?
N11 Gd4 Gd1 102.06(16) . . ?
N11 Gd4 O14 119.5(2) . . ?
N11 Gd4 N14 61.4(2) . . ?
N11 Gd4 O13 151.5(2) . . ?
N11 Gd4 C66 137.4(2) . . ?
O7 Gd4 Gd1 88.70(14) . . ?
O7 Gd4 O14 108.93(18) . . ?
O7 Gd4 O6 168.41(19) . . ?
O7 Gd4 N14 62.7(2) . . ?
O7 Gd4 O13 60.75(18) . . ?
O7 Gd4 N11 124.1(2) . . ?
O7 Gd4 C66 85.1(2) . . ?
C66 Gd4 Gd1 109.51(15) . . ?
O20 Gd4 Gd1 38.04(12) . . ?
O20 Gd4 O14 71.50(19) . . ?
O20 Gd4 O6 94.2(2) . . ?
O20 Gd4 N14 130.8(2) . . ?
O20 Gd4 O13 71.79(18) . . ?
O20 Gd4 N11 133.5(2) . . ?
O20 Gd4 O7 85.81(19) . . ?
O20 Gd4 C66 71.5(2) . . ?
O22 Gd4 Gd1 175.03(17) . . ?
O22 Gd4 O14 78.3(2) . . ?
O22 Gd4 O6 85.5(2) . . ?
O22 Gd4 N14 74.4(2) . . ?
O22 Gd4 O13 75.2(2) . . ?
O22 Gd4 N11 76.9(2) . . ?
O22 Gd4 O7 87.9(2) . . ?
O22 Gd4 C66 73.8(2) . . ?
O22 Gd4 O20 145.1(2) . . ?
O15 Gd5 Gd2 37.11(12) . . ?
O15 Gd5 N8 126.9(2) . . ?
O14 Gd5 Gd2 64.54(15) . . ?
O14 Gd5 O15 86.0(2) . . ?
O14 Gd5 O6 64.6(2) . . ?
O14 Gd5 N8 86.3(2) . . ?
O14 Gd5 N9 129.0(2) . . ?
O6 Gd5 Gd2 89.35(14) . . ?
O6 Gd5 O15 70.84(19) . . ?
O6 Gd5 N8 146.0(2) . . ?
O6 Gd5 N9 64.8(2) . . ?
O4 Gd5 Gd2 147.54(17) . . ?
O4 Gd5 O15 159.3(2) . . ?
O4 Gd5 O14 85.5(2) . . ?
O4 Gd5 O6 88.5(2) . . ?
O4 Gd5 O3 130.1(2) . . ?
O4 Gd5 O5 106.3(2) . . ?
O4 Gd5 N8 71.2(2) . . ?
O4 Gd5 N9 87.6(2) . . ?
O3 Gd5 Gd2 32.85(13) . . ?
O3 Gd5 O15 64.86(18) . . ?
O3 Gd5 O14 74.7(2) . . ?
O3 Gd5 O6 120.68(19) . . ?
O3 Gd5 N8 62.5(2) . . ?
O3 Gd5 N9 139.9(2) . . ?
O5 Gd5 Gd2 98.57(16) . . ?
O5 Gd5 O15 88.4(2) . . ?
O5 Gd5 O14 157.4(2) . . ?
O5 Gd5 O6 133.4(2) . . ?
O5 Gd5 O3 83.1(2) . . ?
O5 Gd5 N8 79.6(2) . . ?
O5 Gd5 N9 71.8(2) . . ?
N8 Gd5 Gd2 93.70(17) . . ?
N9 Gd5 Gd2 120.35(18) . . ?
N9 Gd5 O15 83.3(2) . . ?
N9 Gd5 N8 137.8(3) . . ?
C55 C54 H54 116.7 . . ?
N16 C54 H54 116.7 . . ?
N16 C54 C55 126.7(9) . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
C68 O18 Gd1 139.3(6) . . ?
C1 O1 Gd1 139.6(6) . . ?
Gd2 O19 H19A 110.8 . . ?
Gd2 O19 H19B 110.1 . . ?
H19A O19 H19B 103.4 . . ?
N6 C20 C21 122.4(8) . . ?
N6 C20 C23 112.3(7) . . ?
C21 C20 C23 125.3(8) . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.3(9) . . ?
C4 C3 H3 119.8 . . ?
C62 O9 Gd3 92.6(6) . . ?
Gd2 O15 Gd5 105.3(2) . . ?
C70 O15 Gd2 115.0(5) . . ?
C70 O15 Gd5 139.4(5) . . ?
C64 O11 Gd3 140.8(6) . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C18 120.5(8) . . ?
C18 C22 H22 119.8 . . ?
Gd1 O21 Gd4 114.9(2) . . ?
C70 O16 Gd1 145.1(6) . . ?
Gd5 O14 Gd4 111.7(2) . . ?
C66 O14 Gd4 96.8(5) . . ?
C66 O14 Gd5 151.2(6) . . ?
C60 O8 Gd3 144.6(6) . . ?
Gd5 O6 Gd4 118.7(2) . . ?
C38 O6 Gd4 123.9(5) . . ?
C38 O6 Gd5 117.2(5) . . ?
C8 N2 N1 109.0(7) . . ?
C30 O4 Gd5 146.3(7) . . ?
C50 N14 Gd4 120.5(5) . . ?
C50 N14 C49 116.5(7) . . ?
C49 N14 Gd4 122.7(6) . . ?
C20 N6 Gd2 119.0(5) . . ?
C19 N6 Gd2 121.8(6) . . ?
C19 N6 C20 118.6(7) . . ?
C45 N12 C44 115.9(8) . . ?
C47 N13 C46 116.7(8) . . ?
C1 C6 C7 125.6(9) . . ?
C5 C6 C7 116.1(9) . . ?
C5 C6 C1 118.3(8) . . ?
C23 N7 N8 110.2(7) . . ?
C53 N15 N16 111.9(8) . . ?
C64 O12 Gd2 173.2(6) . . ?
C6 C7 H7 117.6 . . ?
N1 C7 C6 124.9(9) . . ?
N1 C7 H7 117.6 . . ?
Gd3 O13 Gd4 111.2(2) . . ?
C66 O13 Gd3 147.6(6) . . ?
C66 O13 Gd4 96.5(5) . . ?
C68 O17 Gd3 139.4(6) . . ?
C13 C12 C14 119.4(8) . . ?
C13 C12 C11 117.3(7) . . ?
C11 C12 C14 123.3(8) . . ?
C38 N10 N9 111.9(7) . . ?
C16 N5 C17 114.2(8) . . ?
Gd2 O3 Gd5 113.3(2) . . ?
C23 O3 Gd2 125.5(5) . . ?
C23 O3 Gd5 121.0(5) . . ?
C43 N11 Gd4 122.6(6) . . ?
C39 N11 Gd4 119.7(6) . . ?
C39 N11 C43 117.5(8) . . ?
N2 N1 Gd1 118.0(5) . . ?
C7 N1 Gd1 129.6(6) . . ?
C7 N1 N2 111.2(7) . . ?
Gd3 O7 Gd4 117.8(2) . . ?
C53 O7 Gd3 114.6(5) . . ?
C53 O7 Gd4 127.1(5) . . ?
N4 C14 C12 117.4(8) . . ?
N4 C14 C17 122.3(8) . . ?
C17 C14 C12 120.3(8) . . ?
C31 O5 Gd5 141.3(6) . . ?
O14 C66 Gd4 59.2(4) . . ?
O14 C66 O13 118.0(8) . . ?
O14 C66 C65 121.5(9) . . ?
O13 C66 Gd4 59.2(4) . . ?
O13 C66 C65 120.5(8) . . ?
C65 C66 Gd4 174.8(6) . . ?
N13 C47 C44 121.2(8) . . ?
N13 C47 C48 119.5(8) . . ?
C44 C47 C48 119.3(8) . . ?
C62 O10 Gd3 91.9(6) . . ?
C37 C36 C31 123.5(9) . . ?
C37 C36 C35 118.8(9) . . ?
C35 C36 C31 117.7(9) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
C11 C10 C9 118.5(8) . . ?
N14 C50 C53 113.7(8) . . ?
N14 C50 C51 123.8(8) . . ?
C51 C50 C53 122.5(8) . . ?
N6 C19 C13 117.1(7) . . ?
N6 C19 C18 122.6(8) . . ?
C18 C19 C13 120.3(8) . . ?
Gd1 O2 Gd2 106.8(2) . . ?
C8 O2 Gd2 128.8(5) . . ?
C8 O2 Gd1 123.9(5) . . ?
N11 C43 C49 117.3(7) . . ?
N11 C43 C42 122.6(8) . . ?
C42 C43 C49 120.0(8) . . ?
C9 N3 Gd2 120.1(5) . . ?
C13 N3 Gd2 121.9(6) . . ?
C13 N3 C9 117.9(7) . . ?
Gd2 O20 Gd1 102.6(2) . . ?
Gd2 O20 Gd4 138.9(3) . . ?
Gd1 O20 Gd4 103.69(19) . . ?
C51 C52 H52 120.7 . . ?
C51 C52 C48 118.7(9) . . ?
C48 C52 H52 120.7 . . ?
N11 C39 C40 124.6(9) . . ?
N11 C39 C38 113.9(7) . . ?
C40 C39 C38 121.6(8) . . ?
C15 N4 C14 115.5(8) . . ?
C39 C40 H40 121.4 . . ?
C41 C40 C39 117.2(9) . . ?
C41 C40 H40 121.4 . . ?
C10 C9 C8 126.5(8) . . ?
N3 C9 C10 122.2(7) . . ?
N3 C9 C8 111.2(7) . . ?
N2 C8 C9 118.6(7) . . ?
O2 C8 N2 124.8(7) . . ?
O2 C8 C9 116.6(7) . . ?
C40 C41 H41 119.8 . . ?
C40 C41 C42 120.4(8) . . ?
C42 C41 H41 119.8 . . ?
O15 C70 C69 118.8(9) . . ?
O16 C70 O15 121.2(8) . . ?
O16 C70 C69 119.9(9) . . ?
N15 C53 O7 129.2(8) . . ?
N15 C53 C50 115.1(8) . . ?
O7 C53 C50 115.7(8) . . ?
Gd4 O22 H22A 120.1(17) . . ?
C71 O22 Gd4 127.7(6) . . ?
C71 O22 H22A 108.3(18) . . ?
C12 C13 C19 120.7(7) . . ?
N3 C13 C12 123.4(8) . . ?
N3 C13 C19 115.9(7) . . ?
N14 C49 C43 115.6(8) . . ?
N14 C49 C48 123.4(8) . . ?
C48 C49 C43 120.9(8) . . ?
C33 C32 H32 119.2 . . ?
C33 C32 C31 121.7(9) . . ?
C31 C32 H32 119.2 . . ?
C33 C34 H34 121.2 . . ?
C35 C34 H34 121.2 . . ?
C35 C34 C33 117.5(10) . . ?
N12 C45 H45 118.6 . . ?
N12 C45 C46 122.7(9) . . ?
C46 C45 H45 118.6 . . ?
O1 C1 C6 121.7(8) . . ?
O1 C1 C2 118.9(9) . . ?
C2 C1 C6 119.4(9) . . ?
C61 C62 Gd3 169.2(8) . . ?
O9 C62 Gd3 61.0(5) . . ?
O9 C62 C61 121.4(10) . . ?
O9 C62 O10 120.9(9) . . ?
O10 C62 Gd3 60.7(5) . . ?
O10 C62 C61 117.6(10) . . ?
N7 N8 Gd5 118.0(5) . . ?
C24 N8 Gd5 131.6(7) . . ?
C24 N8 N7 110.4(8) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 C12 120.6(8) . . ?
C10 C11 H11 119.7 . . ?
N4 C15 H15 119.1 . . ?
N4 C15 C16 121.7(9) . . ?
C16 C15 H15 119.1 . . ?
C3 C2 H2 119.8 . . ?
C1 C2 C3 120.3(10) . . ?
C1 C2 H2 119.8 . . ?
C20 C21 H21 120.4 . . ?
C22 C21 C20 119.2(8) . . ?
C22 C21 H21 120.4 . . ?
N5 C17 C14 122.6(8) . . ?
N5 C17 C18 116.6(8) . . ?
C14 C17 C18 120.8(7) . . ?
C50 C51 H51 120.4 . . ?
C52 C51 C50 119.2(9) . . ?
C52 C51 H51 120.4 . . ?
N12 C44 C47 120.7(8) . . ?
N12 C44 C42 119.1(8) . . ?
C47 C44 C42 120.1(8) . . ?
C66 C65 H65A 109.5 . . ?
C66 C65 H65B 109.5 . . ?
C66 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
O11 C64 O12 123.8(8) . . ?
O11 C64 C63 119.3(9) . . ?
O12 C64 C63 116.9(9) . . ?
C52 C48 C47 121.8(8) . . ?
C49 C48 C47 119.8(9) . . ?
C49 C48 C52 118.4(8) . . ?
O18 C68 C67 116.9(8) . . ?
O17 C68 O18 123.6(10) . . ?
O17 C68 C67 119.4(8) . . ?
C32 C33 C34 120.5(10) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
O6 C38 C39 117.4(7) . . ?
N10 C38 O6 128.0(8) . . ?
N10 C38 C39 114.6(7) . . ?
C6 C5 H5 118.8 . . ?
C4 C5 C6 122.4(10) . . ?
C4 C5 H5 118.8 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C70 C69 H69A 109.5 . . ?
C70 C69 H69B 109.5 . . ?
C70 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C43 C42 C44 119.7(8) . . ?
C41 C42 C43 117.8(8) . . ?
C41 C42 C44 122.5(8) . . ?
C22 C18 C17 124.8(7) . . ?
C19 C18 C22 116.5(8) . . ?
C19 C18 C17 118.6(8) . . ?
O5 C31 C36 121.8(9) . . ?
O5 C31 C32 120.2(8) . . ?
C32 C31 C36 117.9(9) . . ?
O8 C60 C59 119.9(9) . . ?
O8 C60 C55 122.9(8) . . ?
C55 C60 C59 117.1(9) . . ?
N10 N9 Gd5 117.4(5) . . ?
C37 N9 Gd5 131.6(6) . . ?
C37 N9 N10 111.1(8) . . ?
N7 C23 C20 118.0(8) . . ?
N7 C23 O3 124.7(8) . . ?
O3 C23 C20 117.2(8) . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
O22 C71 H71A 109.5 . . ?
O22 C71 H71B 109.5 . . ?
O22 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N13 C46 C45 122.7(9) . . ?
N13 C46 H46 118.6 . . ?
C45 C46 H46 118.6 . . ?
C60 C59 H59 119.5 . . ?
C58 C59 C60 120.9(10) . . ?
C58 C59 H59 119.5 . . ?
C36 C37 H37 116.7 . . ?
N9 C37 C36 126.6(9) . . ?
N9 C37 H37 116.7 . . ?
C60 C55 C54 122.1(9) . . ?
C60 C55 C56 120.1(9) . . ?
C56 C55 C54 117.8(9) . . ?
N5 C16 C15 123.6(8) . . ?
N5 C16 H16 118.2 . . ?
C15 C16 H16 118.2 . . ?
C36 C35 H35 117.7 . . ?
C34 C35 C36 124.6(10) . . ?
C34 C35 H35 117.7 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.4(10) . . ?
C5 C4 H4 120.3 . . ?
C73 O23 H23 109.5 . . ?
C28 C29 H29 119.9 . . ?
C28 C29 C30 120.2(13) . . ?
C30 C29 H29 119.9 . . ?
C4AA O24 H24A 109.5 . . ?
C72 O25 H25 109.5 . . ?
C26 C25 C24 115.6(11) . . ?
C30 C25 C24 125.4(10) . . ?
C30 C25 C26 119.0(11) . . ?
C54 N16 Gd3 131.5(6) . . ?
C54 N16 N15 112.2(8) . . ?
N15 N16 Gd3 116.0(6) . . ?
N8 C24 C25 124.6(10) . . ?
N8 C24 H24 117.7 . . ?
C25 C24 H24 117.7 . . ?
O24 C4AA H4AA 109.5 . . ?
O24 C4AA H4AB 109.5 . . ?
O24 C4AA H4AC 109.5 . . ?
H4AA C4AA H4AB 109.5 . . ?
H4AA C4AA H4AC 109.5 . . ?
H4AB C4AA H4AC 109.5 . . ?
O25 C72 H72A 109.5 . . ?
O25 C72 H72B 109.5 . . ?
O25 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C55 C56 H56 120.1 . . ?
C57 C56 C55 119.8(11) . . ?
C57 C56 H56 120.1 . . ?
C59 C58 H58 119.0 . . ?
C59 C58 C57 122.1(11) . . ?
C57 C58 H58 119.0 . . ?
C25 C26 H26 119.6 . . ?
C27 C26 C25 120.8(14) . . ?
C27 C26 H26 119.6 . . ?
C29 C28 H28 120.0 . . ?
C29 C28 C27 119.9(13) . . ?
C27 C28 H28 120.0 . . ?
C26 C27 C28 119.6(14) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
O4 C30 C29 118.7(11) . . ?
O4 C30 C25 120.8(10) . . ?
C25 C30 C29 120.5(10) . . ?
C56 C57 C58 119.8(12) . . ?
C56 C57 H57 120.1 . . ?
C58 C57 H57 120.1 . . ?
O23 C73 H73A 109.5 . . ?
O23 C73 H73B 109.5 . . ?
O23 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Gd2 O15 C70 O16 37.1(10) . . . . ?
Gd2 O15 C70 C69 -141.8(7) . . . . ?
Gd2 N6 C19 C13 6.9(11) . . . . ?
Gd2 N6 C19 C18 -173.6(6) . . . . ?
Gd2 O3 C23 C20 15.5(11) . . . . ?
Gd2 O3 C23 N7 -161.6(7) . . . . ?
Gd2 O2 C8 N2 -178.0(6) . . . . ?
Gd2 O2 C8 C9 4.7(11) . . . . ?
Gd2 N3 C9 C10 -177.3(7) . . . . ?
Gd2 N3 C9 C8 5.8(9) . . . . ?
Gd2 N3 C13 C12 174.9(6) . . . . ?
Gd2 N3 C13 C19 -4.3(10) . . . . ?
Gd1 O18 C68 O17 12.2(16) . . . . ?
Gd1 O18 C68 C67 -167.5(7) . . . . ?
Gd1 O1 C1 C6 -25.5(14) . . . . ?
Gd1 O1 C1 C2 153.8(7) . . . . ?
Gd1 O16 C70 O15 19.8(15) . . . . ?
Gd1 O16 C70 C69 -161.3(7) . . . . ?
Gd1 O2 C8 N2 10.5(12) . . . . ?
Gd1 O2 C8 C9 -166.8(6) . . . . ?
Gd3 O9 C62 C61 -167.8(10) . . . . ?
Gd3 O9 C62 O10 9.8(10) . . . . ?
Gd3 O11 C64 O12 -1.3(17) . . . . ?
Gd3 O11 C64 C63 176.4(9) . . . . ?
Gd3 O8 C60 C59 -175.2(8) . . . . ?
Gd3 O8 C60 C55 7.2(17) . . . . ?
Gd3 O13 C66 Gd4 149.1(11) . . . . ?
Gd3 O13 C66 O14 141.9(8) . . . . ?
Gd3 O13 C66 C65 -37.0(15) . . . . ?
Gd3 O17 C68 O18 118.0(10) . . . . ?
Gd3 O17 C68 C67 -62.3(13) . . . . ?
Gd3 O7 C53 N15 -14.9(12) . . . . ?
Gd3 O7 C53 C50 165.8(5) . . . . ?
Gd3 O10 C62 C61 167.9(9) . . . . ?
Gd3 O10 C62 O9 -9.9(10) . . . . ?
Gd4 O14 C66 O13 7.2(8) . . . . ?
Gd4 O14 C66 C65 -173.9(7) . . . . ?
Gd4 O6 C38 N10 -167.5(8) . . . . ?
Gd4 O6 C38 C39 12.9(11) . . . . ?
Gd4 N14 C50 C53 2.4(9) . . . . ?
Gd4 N14 C50 C51 -177.0(6) . . . . ?
Gd4 N14 C49 C43 -3.5(11) . . . . ?
Gd4 N14 C49 C48 175.9(6) . . . . ?
Gd4 O13 C66 O14 -7.2(8) . . . . ?
Gd4 O13 C66 C65 173.9(7) . . . . ?
Gd4 N11 C43 C49 6.1(10) . . . . ?
Gd4 N11 C43 C42 -171.7(6) . . . . ?
Gd4 N11 C39 C40 172.1(7) . . . . ?
Gd4 N11 C39 C38 -8.2(10) . . . . ?
Gd4 O7 C53 N15 173.8(7) . . . . ?
Gd4 O7 C53 C50 -5.5(11) . . . . ?
Gd5 O15 C70 O16 -135.7(7) . . . . ?
Gd5 O15 C70 C69 45.4(13) . . . . ?
Gd5 O14 C66 Gd4 -171.2(13) . . . . ?
Gd5 O14 C66 O13 -164.0(8) . . . . ?
Gd5 O14 C66 C65 14.9(17) . . . . ?
Gd5 O6 C38 N10 6.3(13) . . . . ?
Gd5 O6 C38 C39 -173.3(6) . . . . ?
Gd5 O4 C30 C29 179.5(8) . . . . ?
Gd5 O4 C30 C25 -1.3(19) . . . . ?
Gd5 O3 C23 C20 -169.7(6) . . . . ?
Gd5 O3 C23 N7 13.2(12) . . . . ?
Gd5 O5 C31 C36 -21.6(15) . . . . ?
Gd5 O5 C31 C32 156.6(7) . . . . ?
Gd5 N8 C24 C25 4.1(18) . . . . ?
Gd5 N9 C37 C36 3.5(15) . . . . ?
C54 C55 C56 C57 -177.9(12) . . . . ?
O1 C1 C2 C3 180.0(8) . . . . ?
C20 N6 C19 C13 178.2(8) . . . . ?
C20 N6 C19 C18 -2.2(13) . . . . ?
O8 C60 C59 C58 -177.3(12) . . . . ?
O8 C60 C55 C54 -2.7(16) . . . . ?
O8 C60 C55 C56 178.7(11) . . . . ?
N14 C50 C53 N15 -177.8(8) . . . . ?
N14 C50 C53 O7 1.6(11) . . . . ?
N14 C50 C51 C52 1.7(14) . . . . ?
N14 C49 C48 C47 -179.5(8) . . . . ?
N14 C49 C48 C52 0.1(14) . . . . ?
N6 C20 C21 C22 -0.1(15) . . . . ?
N6 C20 C23 N7 171.6(8) . . . . ?
N6 C20 C23 O3 -5.7(12) . . . . ?
N6 C19 C13 C12 179.1(8) . . . . ?
N6 C19 C13 N3 -1.6(12) . . . . ?
N6 C19 C18 C22 -1.2(13) . . . . ?
N6 C19 C18 C17 -178.7(8) . . . . ?
N12 C45 C46 N13 -0.3(17) . . . . ?
N12 C44 C42 C43 -179.4(8) . . . . ?
N12 C44 C42 C41 3.1(14) . . . . ?
N13 C47 C44 N12 -3.0(14) . . . . ?
N13 C47 C44 C42 179.0(8) . . . . ?
N13 C47 C48 C52 2.2(13) . . . . ?
N13 C47 C48 C49 -178.2(8) . . . . ?
C6 C7 N1 Gd1 12.1(14) . . . . ?
C6 C7 N1 N2 179.3(8) . . . . ?
C6 C1 C2 C3 -0.7(14) . . . . ?
C6 C5 C4 C3 1.0(16) . . . . ?
N7 N8 C24 C25 -177.6(11) . . . . ?
C7 C6 C1 O1 -1.0(15) . . . . ?
C7 C6 C1 C2 179.7(9) . . . . ?
C7 C6 C5 C4 -180.0(10) . . . . ?
C12 C14 N4 C15 176.5(8) . . . . ?
C12 C14 C17 N5 -177.5(8) . . . . ?
C12 C14 C17 C18 1.8(13) . . . . ?
N10 N9 C37 C36 -177.8(9) . . . . ?
N5 C17 C18 C22 0.5(13) . . . . ?
N5 C17 C18 C19 177.8(8) . . . . ?
N11 C43 C49 N14 -1.6(12) . . . . ?
N11 C43 C49 C48 179.0(8) . . . . ?
N11 C43 C42 C41 -0.8(13) . . . . ?
N11 C43 C42 C44 -178.4(8) . . . . ?
N11 C39 C40 C41 0.4(14) . . . . ?
N11 C39 C38 O6 -2.3(12) . . . . ?
N11 C39 C38 N10 178.0(8) . . . . ?
N1 N2 C8 O2 -0.1(12) . . . . ?
N1 N2 C8 C9 177.1(7) . . . . ?
C14 C12 C13 C19 0.7(13) . . . . ?
C14 C12 C13 N3 -178.5(8) . . . . ?
C14 C12 C11 C10 -179.2(9) . . . . ?
C14 N4 C15 C16 1.8(13) . . . . ?
C14 C17 C18 C22 -178.8(8) . . . . ?
C14 C17 C18 C19 -1.5(13) . . . . ?
C47 N13 C46 C45 0.7(15) . . . . ?
C47 C44 C42 C43 -1.3(13) . . . . ?
C47 C44 C42 C41 -178.9(9) . . . . ?
C10 C9 C8 N2 -0.7(14) . . . . ?
C10 C9 C8 O2 176.7(9) . . . . ?
C50 N14 C49 C43 -176.5(8) . . . . ?
C50 N14 C49 C48 2.9(13) . . . . ?
C43 N11 C39 C40 -2.0(14) . . . . ?
C43 N11 C39 C38 177.7(8) . . . . ?
C43 C49 C48 C47 -0.1(13) . . . . ?
C43 C49 C48 C52 179.4(8) . . . . ?
N3 C9 C8 N2 176.0(8) . . . . ?
N3 C9 C8 O2 -6.6(11) . . . . ?
C39 N11 C43 C49 180.0(8) . . . . ?
C39 N11 C43 C42 2.2(13) . . . . ?
C39 C40 C41 C42 1.1(14) . . . . ?
N4 C14 C17 N5 0.7(14) . . . . ?
N4 C14 C17 C18 180.0(8) . . . . ?
N4 C15 C16 N5 -0.8(15) . . . . ?
C40 C39 C38 O6 177.4(8) . . . . ?
C40 C39 C38 N10 -2.2(13) . . . . ?
C40 C41 C42 C43 -0.9(14) . . . . ?
C40 C41 C42 C44 176.7(9) . . . . ?
C9 C10 C11 C12 -1.9(14) . . . . ?
C9 N3 C13 C12 -2.4(13) . . . . ?
C9 N3 C13 C19 178.3(8) . . . . ?
C8 N2 N1 Gd1 -8.9(9) . . . . ?
C8 N2 N1 C7 -177.6(8) . . . . ?
C53 N15 N16 Gd3 11.9(9) . . . . ?
C53 N15 N16 C54 -173.0(8) . . . . ?
C53 C50 C51 C52 -177.6(8) . . . . ?
C13 C12 C14 N4 -179.7(8) . . . . ?
C13 C12 C14 C17 -1.4(13) . . . . ?
C13 C12 C11 C10 -0.2(13) . . . . ?
C13 C19 C18 C22 178.3(8) . . . . ?
C13 C19 C18 C17 0.8(13) . . . . ?
C13 N3 C9 C10 0.1(13) . . . . ?
C13 N3 C9 C8 -176.8(7) . . . . ?
C49 N14 C50 C53 175.6(7) . . . . ?
C49 N14 C50 C51 -3.8(12) . . . . ?
C49 C43 C42 C41 -178.5(8) . . . . ?
C49 C43 C42 C44 3.8(13) . . . . ?
C45 N12 C44 C47 3.2(13) . . . . ?
C45 N12 C44 C42 -178.7(9) . . . . ?
C1 C6 C7 N1 4.5(16) . . . . ?
C1 C6 C5 C4 -1.2(15) . . . . ?
N8 N7 C23 C20 -174.0(8) . . . . ?
N8 N7 C23 O3 3.1(13) . . . . ?
C11 C12 C14 N4 -0.7(13) . . . . ?
C11 C12 C14 C17 177.6(9) . . . . ?
C11 C12 C13 C19 -178.3(8) . . . . ?
C11 C12 C13 N3 2.4(13) . . . . ?
C11 C10 C9 N3 2.0(14) . . . . ?
C11 C10 C9 C8 178.4(9) . . . . ?
C2 C3 C4 C5 -0.6(15) . . . . ?
C21 C20 N6 Gd2 174.6(7) . . . . ?
C21 C20 N6 C19 3.0(13) . . . . ?
C21 C20 C23 N7 -7.8(15) . . . . ?
C21 C20 C23 O3 174.9(9) . . . . ?
C21 C22 C18 C19 4.2(13) . . . . ?
C21 C22 C18 C17 -178.5(9) . . . . ?
C17 N5 C16 C15 -0.3(13) . . . . ?
C17 C14 N4 C15 -1.8(13) . . . . ?
C51 C50 C53 N15 1.6(13) . . . . ?
C51 C50 C53 O7 -179.0(8) . . . . ?
C51 C52 C48 C47 177.3(8) . . . . ?
C51 C52 C48 C49 -2.3(13) . . . . ?
C44 N12 C45 C46 -1.7(15) . . . . ?
C44 C47 C48 C52 -176.9(8) . . . . ?
C44 C47 C48 C49 2.7(13) . . . . ?
C48 C47 C44 N12 176.1(8) . . . . ?
C48 C47 C44 C42 -1.9(13) . . . . ?
C48 C52 C51 C50 1.4(13) . . . . ?
C33 C32 C31 O5 179.6(9) . . . . ?
C33 C32 C31 C36 -2.0(14) . . . . ?
C33 C34 C35 C36 -0.9(17) . . . . ?
C38 N10 N9 Gd5 -6.9(10) . . . . ?
C38 N10 N9 C37 174.2(8) . . . . ?
C38 C39 C40 C41 -179.3(8) . . . . ?
C5 C6 C7 N1 -176.8(9) . . . . ?
C5 C6 C1 O1 -179.7(8) . . . . ?
C5 C6 C1 C2 1.0(13) . . . . ?
C42 C43 C49 N14 176.2(8) . . . . ?
C42 C43 C49 C48 -3.2(13) . . . . ?
C18 C22 C21 C20 -3.6(15) . . . . ?
C18 C19 C13 C12 -0.5(13) . . . . ?
C18 C19 C13 N3 178.8(8) . . . . ?
C31 C36 C37 N9 6.3(16) . . . . ?
C31 C36 C35 C34 -0.4(16) . . . . ?
C31 C32 C33 C34 0.7(15) . . . . ?
C60 C59 C58 C57 -4(2) . . . . ?
C60 C55 C56 C57 1(2) . . . . ?
N9 N10 C38 O6 0.5(14) . . . . ?
N9 N10 C38 C39 -179.8(7) . . . . ?
C23 C20 N6 Gd2 -4.8(10) . . . . ?
C23 C20 N6 C19 -176.4(8) . . . . ?
C23 C20 C21 C22 179.2(9) . . . . ?
C23 N7 N8 Gd5 -16.6(10) . . . . ?
C23 N7 N8 C24 164.9(9) . . . . ?
C46 N13 C47 C44 0.9(13) . . . . ?
C46 N13 C47 C48 -178.2(8) . . . . ?
C59 C60 C55 C54 179.7(10) . . . . ?
C59 C60 C55 C56 1.1(16) . . . . ?
C59 C58 C57 C56 6(3) . . . . ?
C37 C36 C31 O5 0.5(15) . . . . ?
C37 C36 C31 C32 -177.8(9) . . . . ?
C37 C36 C35 C34 179.3(10) . . . . ?
C55 C54 N16 Gd3 -8.6(15) . . . . ?
C55 C54 N16 N15 177.3(9) . . . . ?
C55 C60 C59 C58 0.4(17) . . . . ?
C55 C56 C57 C58 -4(2) . . . . ?
C16 N5 C17 C14 0.4(12) . . . . ?
C16 N5 C17 C18 -178.9(8) . . . . ?
C35 C36 C31 O5 -179.9(9) . . . . ?
C35 C36 C31 C32 1.8(14) . . . . ?
C35 C36 C37 N9 -173.4(10) . . . . ?
C35 C34 C33 C32 0.8(16) . . . . ?
C4 C3 C2 C1 0.5(14) . . . . ?
C29 C28 C27 C26 1(3) . . . . ?
C25 C26 C27 C28 1(3) . . . . ?
N16 C54 C55 C60 4.6(17) . . . . ?
N16 C54 C55 C56 -176.8(11) . . . . ?
N16 N15 C53 O7 1.8(14) . . . . ?
N16 N15 C53 C50 -178.9(7) . . . . ?
C24 C25 C26 C27 -179.5(16) . . . . ?
C24 C25 C30 O4 -1.7(19) . . . . ?
C24 C25 C30 C29 177.5(11) . . . . ?
C26 C25 C24 N8 178.5(13) . . . . ?
C26 C25 C30 O4 179.7(12) . . . . ?
C26 C25 C30 C29 -1.1(19) . . . . ?
C28 C29 C30 O4 -178.0(12) . . . . ?
C28 C29 C30 C25 2.8(19) . . . . ?
C30 C29 C28 C27 -3(2) . . . . ?
C30 C25 C24 N8 0(2) . . . . ?
C30 C25 C26 C27 -1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_222_sq_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1976908'
loop_
_audit_author_name
_audit_author_address
'tong liu'
;guangxishifandaxue
China
;
_audit_update_record             
;
2020-01-11 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
_audit_creation_date             2019-10-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C65 H55 Dy5 N12 O22, C H4 O'
_chemical_formula_sum            'C66 H57 Dy5 N12 O23'
_chemical_formula_weight         2198.73
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.6215(3)
_cell_length_b                   16.9622(3)
_cell_length_c                   20.0435(4)
_cell_angle_alpha                74.828(2)
_cell_angle_beta                 73.689(2)
_cell_angle_gamma                62.780(2)
_cell_volume                     4477.19(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    24011
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.3380
_cell_measurement_theta_min      1.7300
_shelx_estimated_absorpt_T_max   0.433
_shelx_estimated_absorpt_T_min   0.314
_exptl_absorpt_coefficient_mu    4.189
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2102
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.24
_exptl_transmission_factor_max   0.843
_exptl_transmission_factor_min   0.547
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_unetI/netI     0.0550
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.776
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            51813
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.776
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.228
_diffrn_reflns_theta_min         1.666
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.776
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15281
_reflns_number_total             20688
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         3.310
_refine_diff_density_min         -1.706
_refine_diff_density_rms         0.193
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     976
_refine_ls_number_reflns         20688
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0468
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0610P)²+24.9750P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1319
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O17-H17
 0.85 with sigma of 0.01
 O20-H20
 0.82 with sigma of 0.02
 H20-O20
 0.83 with sigma of 0.02
 H20-Dy4
 2.8 with sigma of 0.02
 H20-Dy2
 2.65 with sigma of 0.02
 H20-Dy1
 2.6 with sigma of 0.02
 H18A-H19
 2.2 with sigma of 0.02
 C65-H17
 2.119108 with sigma of 0.02
 Dy4-H17
 2.978986 with sigma of 0.02
3. Rigid bond restraints
 O17, C65
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C65) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Rotating group:
 O21(H21), O22(H22A,H22B), O23(H23A,H23B)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C7(H7), C3(H3), C53(H53), C5(H5), C11(H11), C33(H33), C10(H10),
 C19(H19A), C22(H22), C44(H44), C17(H17A), C47(H47), C54(H54), C16(H16),
 C38(H38), C46(H46), C45(H45), C18(H18), C35(H35), C39(H39), C55(H55), C30(H30),
  C50(H50), C52(H52), C24(H24), C27(H27), C25(H25), C4(H4), C31(H31), C32(H32),
 C26(H26)
5.c Idealised Me refined as rotating group:
 C57(H57A,H57B,H57C), C61(H61A,H61B,H61C), C59(H59A,H59B,H59C), C66(H66A,H66B,
 H66C), C63(H63A,H63B,H63C), C65(H65A,H65B,H65C)
5.d Idealised tetrahedral OH refined as rotating group:
 O18(H18A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.29657(2) 0.36133(2) 0.39815(2) 0.02623(8) Uani 1 1 d D . . . .
Dy2 Dy 0.09339(2) 0.40453(2) 0.31230(2) 0.02767(8) Uani 1 1 d D . . . .
Dy4 Dy 0.41535(2) 0.26655(2) 0.22901(2) 0.02696(8) Uani 1 1 d D . . . .
Dy3 Dy 0.20875(2) 0.46508(2) 0.11673(2) 0.03159(9) Uani 1 1 d . . . . .
Dy5 Dy 0.33089(3) 0.05721(3) 0.32173(2) 0.03608(9) Uani 1 1 d . . . . .
O20 O 0.2630(3) 0.3136(3) 0.3102(2) 0.0275(10) Uani 1 1 d D . . . .
O19 O 0.4275(3) 0.3248(4) 0.3124(2) 0.0309(11) Uani 1 1 d . . . . .
O1 O 0.3803(3) 0.3954(4) 0.4509(2) 0.0328(11) Uani 1 1 d . . . . .
O3 O 0.0763(4) 0.4414(4) 0.1958(2) 0.0345(11) Uani 1 1 d . . . . .
O2 O 0.1324(3) 0.3891(4) 0.4205(2) 0.0320(11) Uani 1 1 d . . . . .
O12 O 0.2664(4) 0.1544(4) 0.4029(3) 0.0398(13) Uani 1 1 d . . . . .
O16 O 0.1612(4) 0.1196(4) 0.3225(3) 0.0423(13) Uani 1 1 d . . . . .
O4 O 0.2896(4) 0.4272(4) 0.0123(3) 0.0420(13) Uani 1 1 d . . . . .
O13 O 0.2771(4) 0.3071(3) 0.1618(2) 0.0329(11) Uani 1 1 d . . . . .
O21 O 0.0039(3) 0.5559(4) 0.3309(2) 0.0341(11) Uani 1 1 d . . . . .
H21 H -0.003356 0.592169 0.290456 0.051 Uiso 1 1 d GR . . . .
O9 O 0.2326(3) 0.4992(3) 0.3276(2) 0.0311(11) Uani 1 1 d . . . . .
O15 O 0.1028(4) 0.2672(4) 0.3157(3) 0.0371(12) Uani 1 1 d . . . . .
O17 O 0.4992(4) 0.1953(4) 0.1281(3) 0.0468(14) Uani 1 1 d D U . . .
H17 H 0.529(7) 0.1377(8) 0.1293(13) 0.070 Uiso 1 1 d DR . . . .
O14 O 0.3207(4) 0.1728(3) 0.2233(3) 0.0327(11) Uani 1 1 d . . . . .
O8 O 0.2910(5) -0.0452(4) 0.4013(3) 0.0576(18) Uani 1 1 d . . . . .
O6 O 0.3654(3) 0.4075(3) 0.1487(2) 0.0321(11) Uani 1 1 d . . . . .
N2 N 0.1051(4) 0.3859(4) 0.5393(3) 0.0290(13) Uani 1 1 d . . . . .
O18 O 0.5178(4) 0.4287(4) 0.3337(3) 0.0453(14) Uani 1 1 d . . . . .
H18A H 0.480136 0.421843 0.370278 0.068 Uiso 1 1 calc DGR . . . .
O7 O 0.4482(4) 0.1202(3) 0.3007(3) 0.0351(11) Uani 1 1 d . . . . .
O10 O 0.1820(3) 0.4936(4) 0.2368(2) 0.0304(11) Uani 1 1 d . . . . .
O11 O 0.3268(4) 0.2176(4) 0.4518(2) 0.0336(11) Uani 1 1 d . . . . .
O5 O 0.0936(4) 0.6047(4) 0.0936(3) 0.0448(13) Uani 1 1 d . . . . .
N1 N 0.2024(4) 0.3814(4) 0.5226(3) 0.0298(13) Uani 1 1 d . . . . .
O22 O 0.4681(5) -0.0362(5) 0.2470(4) 0.068(2) Uani 1 1 d . . . . .
H22A H 0.499636 -0.094519 0.254599 0.103 Uiso 1 1 d GR . . . .
H22B H 0.497962 -0.019535 0.205717 0.103 Uiso 1 1 d GR . . . .
C8 C 0.0780(4) 0.3892(5) 0.4826(3) 0.0238(13) Uani 1 1 d . . . . .
N3 N -0.0364(4) 0.4029(4) 0.4209(3) 0.0303(13) Uani 1 1 d . . . . .
O23 O 0.3102(6) -0.0140(5) 0.2411(4) 0.069(2) Uani 1 1 d . . . . .
H23A H 0.370188 -0.048369 0.211850 0.103 Uiso 1 1 d GR . . . .
H23B H 0.274758 0.027140 0.204850 0.103 Uiso 1 1 d GR . . . .
N12 N 0.4596(4) -0.0224(4) 0.3947(4) 0.0396(15) Uani 1 1 d . . . . .
N7 N 0.2900(5) 0.5701(4) 0.0794(3) 0.0390(15) Uani 1 1 d . . . . .
C58 C 0.2069(5) 0.5324(5) 0.2692(3) 0.0291(14) Uani 1 1 d . . . . .
N4 N -0.0692(4) 0.4314(4) 0.2908(3) 0.0313(13) Uani 1 1 d . . . . .
N10 N 0.5922(4) 0.1706(4) 0.2515(3) 0.0311(13) Uani 1 1 d . . . . .
C60 C 0.2894(5) 0.1631(5) 0.4555(4) 0.0319(16) Uani 1 1 d . . . . .
C2 C 0.4887(6) 0.3686(7) 0.5242(4) 0.045(2) Uani 1 1 d . . . . .
H2 H 0.534437 0.375698 0.484595 0.054 Uiso 1 1 calc R . . . .
C14 C -0.1420(5) 0.4256(5) 0.3452(4) 0.0329(16) Uani 1 1 d . . . . .
N6 N 0.1020(4) 0.4308(4) 0.0661(3) 0.0332(13) Uani 1 1 d . . . . .
C21 C 0.0064(5) 0.4408(5) 0.1720(4) 0.0352(16) Uani 1 1 d . . . . .
N9 N 0.5477(4) 0.3289(4) 0.1681(3) 0.0301(13) Uani 1 1 d . . . . .
N5 N 0.0098(5) 0.4373(5) 0.1081(3) 0.0381(15) Uani 1 1 d . . . . .
N8 N 0.3897(5) 0.5340(4) 0.0843(3) 0.0391(15) Uani 1 1 d . . . . .
C1 C 0.3990(5) 0.3769(6) 0.5147(4) 0.0330(16) Uani 1 1 d . . . . .
C57 C 0.2025(7) 0.6238(6) 0.2374(4) 0.0436(19) Uani 1 1 d . . . . .
H57A H 0.182438 0.658969 0.273999 0.065 Uiso 1 1 calc GR . . . .
H57B H 0.156212 0.652369 0.206263 0.065 Uiso 1 1 calc GR . . . .
H57C H 0.266119 0.618900 0.211394 0.065 Uiso 1 1 calc GR . . . .
C7 C 0.2359(5) 0.3721(5) 0.5770(3) 0.0317(16) Uani 1 1 d . . . . .
H7 H 0.195438 0.368585 0.620620 0.038 Uiso 1 1 calc R . . . .
C20 C -0.0817(5) 0.4406(5) 0.2257(4) 0.0343(16) Uani 1 1 d . . . . .
N11 N 0.5438(4) -0.0033(5) 0.3712(4) 0.0416(17) Uani 1 1 d . . . . .
C3 C 0.5114(7) 0.3504(8) 0.5892(4) 0.065(3) Uani 1 1 d . . . . .
H3 H 0.572044 0.344352 0.593207 0.078 Uiso 1 1 calc R . . . .
C53 C 0.3497(6) -0.2133(6) 0.5906(4) 0.0419(19) Uani 1 1 d . . . . .
H53 H 0.362855 -0.251478 0.632780 0.050 Uiso 1 1 calc R . . . .
C5 C 0.3550(7) 0.3489(8) 0.6424(4) 0.061(3) Uani 1 1 d . . . . .
H5 H 0.309992 0.342233 0.682643 0.073 Uiso 1 1 calc R . . . .
C43 C 0.7607(5) 0.1501(6) 0.2390(4) 0.0371(17) Uani 1 1 d . . . . .
C41 C 0.6414(5) 0.2842(5) 0.1787(4) 0.0319(15) Uani 1 1 d . . . . .
C6 C 0.3308(5) 0.3666(6) 0.5762(3) 0.0337(17) Uani 1 1 d . . . . .
C62 C 0.2703(5) 0.2335(5) 0.1798(3) 0.0318(15) Uani 1 1 d . . . . .
C11 C -0.1782(5) 0.3956(6) 0.5404(4) 0.0369(17) Uani 1 1 d . . . . .
H11 H -0.224922 0.392833 0.580521 0.044 Uiso 1 1 calc R . . . .
C33 C 0.1469(8) 0.7971(7) -0.0018(5) 0.068(3) Uani 1 1 d . . . . .
H33 H 0.199115 0.813830 -0.015965 0.082 Uiso 1 1 calc R . . . .
C10 C -0.0891(5) 0.3896(6) 0.5464(4) 0.0361(17) Uani 1 1 d . . . . .
H10 H -0.075317 0.382716 0.590359 0.043 Uiso 1 1 calc R . . . .
C19 C -0.1657(5) 0.4441(6) 0.2108(4) 0.0398(18) Uani 1 1 d . . . . .
H19A H -0.171395 0.449426 0.164672 0.048 Uiso 1 1 calc R . . . .
C42 C 0.6651(5) 0.1988(5) 0.2242(4) 0.0335(16) Uani 1 1 d . . . . .
C22 C 0.1143(6) 0.4093(5) 0.0055(4) 0.0437(19) Uani 1 1 d . . . . .
H22 H 0.061421 0.406895 -0.005153 0.052 Uiso 1 1 calc R . . . .
C49 C 0.5281(5) 0.0682(5) 0.3245(4) 0.0361(17) Uani 1 1 d . . . . .
C44 C 0.8324(6) 0.1860(6) 0.2055(4) 0.0440(19) Uani 1 1 d . . . . .
H44 H 0.895954 0.153662 0.214074 0.053 Uiso 1 1 calc R . . . .
C17 C -0.2881(6) 0.4129(6) 0.4625(4) 0.044(2) Uani 1 1 d . . . . .
H17A H -0.337623 0.411342 0.500936 0.052 Uiso 1 1 calc R . . . .
C47 C 0.7064(6) 0.0390(6) 0.3137(4) 0.0422(19) Uani 1 1 d . . . . .
H47 H 0.717993 -0.014759 0.344629 0.051 Uiso 1 1 calc R . . . .
C54 C 0.2641(6) -0.1901(6) 0.5679(5) 0.0433(19) Uani 1 1 d . . . . .
H54 H 0.219211 -0.213036 0.595349 0.052 Uiso 1 1 calc R . . . .
C9 C -0.0200(5) 0.3941(5) 0.4846(3) 0.0301(15) Uani 1 1 d . . . . .
C16 C -0.3017(6) 0.4217(6) 0.3968(4) 0.0429(19) Uani 1 1 d . . . . .
H16 H -0.359611 0.423449 0.390976 0.051 Uiso 1 1 calc R . . . .
C36 C 0.4190(5) 0.4538(5) 0.1194(4) 0.0338(16) Uani 1 1 d . . . . .
C48 C 0.6129(5) 0.0932(5) 0.2961(4) 0.0340(16) Uani 1 1 d . . . . .
C12 C -0.1983(5) 0.4059(6) 0.4733(4) 0.0373(17) Uani 1 1 d . . . . .
C13 C -0.1244(5) 0.4108(5) 0.4154(4) 0.0305(15) Uani 1 1 d . . . . .
C15 C -0.2295(6) 0.4284(6) 0.3361(4) 0.0386(17) Uani 1 1 d . . . . .
C37 C 0.5234(6) 0.4072(5) 0.1273(4) 0.0364(16) Uani 1 1 d . . . . .
C56 C 0.3103(6) -0.0970(6) 0.4610(5) 0.0421(19) Uani 1 1 d . . . . .
C61 C 0.2040(6) 0.2159(6) 0.1507(5) 0.048(2) Uani 1 1 d . . . . .
H61A H 0.216047 0.230748 0.100344 0.072 Uiso 1 1 calc GR . . . .
H61B H 0.137059 0.252014 0.169275 0.072 Uiso 1 1 calc GR . . . .
H61C H 0.216074 0.153593 0.163764 0.072 Uiso 1 1 calc GR . . . .
C40 C 0.7142(5) 0.3165(5) 0.1473(4) 0.0337(16) Uani 1 1 d . . . . .
C38 C 0.5908(6) 0.4454(5) 0.0925(4) 0.0374(17) Uani 1 1 d . . . . .
H38 H 0.571488 0.500274 0.062774 0.045 Uiso 1 1 calc R . . . .
C28 C 0.2895(7) 0.3938(5) -0.0405(4) 0.044(2) Uani 1 1 d . . . . .
C23 C 0.2033(7) 0.3888(6) -0.0467(4) 0.049(2) Uani 1 1 d . . . . .
C64 C 0.0941(6) 0.1951(6) 0.3220(5) 0.045(2) Uani 1 1 d . . . . .
C46 C 0.7793(6) 0.0677(6) 0.2840(5) 0.047(2) Uani 1 1 d . . . . .
H46 H 0.841958 0.032224 0.293770 0.056 Uiso 1 1 calc R . . . .
C34 C 0.1626(7) 0.7106(6) 0.0352(5) 0.051(2) Uani 1 1 d . . . . .
C45 C 0.8103(6) 0.2640(6) 0.1628(4) 0.0424(19) Uani 1 1 d . . . . .
H45 H 0.858712 0.285102 0.142460 0.051 Uiso 1 1 calc R . . . .
C18 C -0.2401(6) 0.4393(6) 0.2667(4) 0.0407(18) Uani 1 1 d . . . . .
H18 H -0.297611 0.443440 0.258049 0.049 Uiso 1 1 calc R . . . .
C51 C 0.3968(5) -0.1199(5) 0.4860(4) 0.0351(16) Uani 1 1 d . . . . .
C59 C 0.2744(6) 0.1067(6) 0.5249(4) 0.0384(18) Uani 1 1 d . . . . .
H59A H 0.225803 0.144453 0.558019 0.058 Uiso 1 1 calc GR . . . .
H59B H 0.335049 0.074824 0.541943 0.058 Uiso 1 1 calc GR . . . .
H59C H 0.252794 0.064467 0.519477 0.058 Uiso 1 1 calc GR . . . .
C35 C 0.2592(7) 0.6539(6) 0.0495(4) 0.049(2) Uani 1 1 d . . . . .
H35 H 0.304290 0.679241 0.036133 0.059 Uiso 1 1 calc R . . . .
C39 C 0.6853(6) 0.3998(6) 0.1035(4) 0.0405(18) Uani 1 1 d . . . . .
H39 H 0.730648 0.424329 0.081848 0.049 Uiso 1 1 calc R . . . .
C55 C 0.2442(6) -0.1340(6) 0.5058(5) 0.048(2) Uani 1 1 d . . . . .
H55 H 0.185688 -0.119432 0.492360 0.058 Uiso 1 1 calc R . . . .
C29 C 0.0854(7) 0.6843(6) 0.0565(4) 0.050(2) Uani 1 1 d . . . . .
C30 C -0.0063(8) 0.7474(6) 0.0387(5) 0.059(3) Uani 1 1 d . . . . .
H30 H -0.059289 0.731922 0.051448 0.071 Uiso 1 1 calc R . . . .
C50 C 0.4695(5) -0.0856(5) 0.4484(4) 0.0360(17) Uani 1 1 d . . . . .
H50 H 0.528501 -0.111246 0.464318 0.043 Uiso 1 1 calc R . . . .
C66 C 0.4699(6) 0.5095(7) 0.2927(5) 0.054(2) Uani 1 1 d . . . . .
H66A H 0.517150 0.524742 0.256076 0.081 Uiso 1 1 calc GR . . . .
H66B H 0.434511 0.555904 0.321601 0.081 Uiso 1 1 calc GR . . . .
H66C H 0.424961 0.503613 0.272113 0.081 Uiso 1 1 calc GR . . . .
C52 C 0.4150(5) -0.1786(5) 0.5492(4) 0.0384(17) Uani 1 1 d . . . . .
H52 H 0.473087 -0.194579 0.563766 0.046 Uiso 1 1 calc R . . . .
C24 C 0.2078(9) 0.3560(7) -0.1062(5) 0.062(3) Uani 1 1 d . . . . .
H24 H 0.152452 0.352704 -0.111759 0.074 Uiso 1 1 calc R . . . .
C27 C 0.3730(8) 0.3667(6) -0.0935(4) 0.058(3) Uani 1 1 d . . . . .
H27 H 0.429289 0.370543 -0.090356 0.070 Uiso 1 1 calc R . . . .
C25 C 0.2919(10) 0.3289(8) -0.1557(5) 0.072(3) Uani 1 1 d . . . . .
H25 H 0.293393 0.306315 -0.193729 0.086 Uiso 1 1 calc R . . . .
C4 C 0.4438(7) 0.3410(10) 0.6492(5) 0.077(4) Uani 1 1 d . . . . .
H4 H 0.458499 0.329582 0.693572 0.093 Uiso 1 1 calc R . . . .
C31 C -0.0172(10) 0.8309(7) 0.0028(7) 0.082(4) Uani 1 1 d . . . . .
H31 H -0.078172 0.871094 -0.008086 0.098 Uiso 1 1 calc R . . . .
C32 C 0.0575(10) 0.8579(7) -0.0178(6) 0.084(4) Uani 1 1 d . . . . .
H32 H 0.048061 0.915292 -0.041796 0.101 Uiso 1 1 calc R . . . .
C26 C 0.3733(10) 0.3348(8) -0.1496(5) 0.076(4) Uani 1 1 d . . . . .
H26 H 0.429666 0.317026 -0.183948 0.092 Uiso 1 1 calc R . . . .
C63 C -0.0085(7) 0.2026(8) 0.3253(10) 0.102(6) Uani 1 1 d . . . . .
H63A H -0.004312 0.145019 0.323263 0.153 Uiso 1 1 calc GR . . . .
H63B H -0.035263 0.245064 0.286148 0.153 Uiso 1 1 calc GR . . . .
H63C H -0.050120 0.222480 0.368454 0.153 Uiso 1 1 calc GR . . . .
C65 C 0.5027(11) 0.2475(11) 0.0484(6) 0.115(5) Uani 1 1 d D U . . .
H65A H 0.567835 0.221445 0.021782 0.173 Uiso 1 1 calc GR . . . .
H65B H 0.484976 0.309658 0.048421 0.173 Uiso 1 1 calc GR . . . .
H65C H 0.457541 0.242424 0.027526 0.173 Uiso 1 1 calc GR . . . .
H20 H 0.2583(13) 0.2678(10) 0.3362(10) 0.07(3) Uiso 1 1 d D . . . .
H19 H 0.468(7) 0.337(6) 0.310(4) 0.04(3) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.7217(4) . ?
Dy1 Dy4 3.7564(4) . ?
Dy1 O20 2.387(4) . ?
Dy1 O19 2.224(4) . ?
Dy1 O1 2.224(4) . ?
Dy1 O2 2.316(4) . ?
Dy1 O9 2.322(5) . ?
Dy1 O11 2.276(5) . ?
Dy1 N1 2.536(5) . ?
Dy2 Dy3 3.9098(4) . ?
Dy2 O20 2.373(4) . ?
Dy2 O3 2.312(4) . ?
Dy2 O2 2.332(4) . ?
Dy2 O21 2.368(5) . ?
Dy2 O15 2.250(5) . ?
Dy2 O10 2.455(5) . ?
Dy2 N3 2.527(6) . ?
Dy2 N4 2.509(5) . ?
Dy4 O20 2.391(4) . ?
Dy4 O19 2.241(5) . ?
Dy4 O13 2.597(5) . ?
Dy4 O17 2.368(6) . ?
Dy4 O14 2.659(5) . ?
Dy4 O6 2.430(5) . ?
Dy4 O7 2.423(5) . ?
Dy4 N10 2.587(6) . ?
Dy4 N9 2.605(5) . ?
Dy3 O3 2.354(5) . ?
Dy3 O4 2.207(5) . ?
Dy3 O13 2.406(5) . ?
Dy3 O6 2.391(5) . ?
Dy3 O10 2.462(4) . ?
Dy3 O5 2.249(6) . ?
Dy3 N7 2.486(7) . ?
Dy3 N6 2.509(6) . ?
Dy5 O12 2.310(6) . ?
Dy5 O16 2.360(5) . ?
Dy5 O14 2.372(5) . ?
Dy5 O8 2.221(5) . ?
Dy5 O7 2.407(5) . ?
Dy5 O22 2.384(7) . ?
Dy5 O23 2.418(6) . ?
Dy5 N12 2.478(6) . ?
O20 H20 0.837(13) . ?
O19 H19 0.74(8) . ?
O1 C1 1.319(8) . ?
O3 C21 1.313(8) . ?
O2 C8 1.295(7) . ?
O12 C60 1.269(9) . ?
O16 C64 1.229(10) . ?
O4 C28 1.324(9) . ?
O13 C62 1.251(9) . ?
O21 H21 0.8798 . ?
O9 C58 1.249(8) . ?
O15 C64 1.261(10) . ?
O17 H17 0.866(9) . ?
O17 C65 1.611(14) . ?
O14 C62 1.271(8) . ?
O8 C56 1.306(10) . ?
O6 C36 1.322(8) . ?
N2 N1 1.432(7) . ?
N2 C8 1.299(8) . ?
O18 H18A 0.8200 . ?
O18 C66 1.390(11) . ?
O7 C49 1.293(8) . ?
O10 C58 1.266(8) . ?
O11 C60 1.279(9) . ?
O5 C29 1.328(10) . ?
N1 C7 1.280(8) . ?
O22 H22A 0.8733 . ?
O22 H22B 0.8733 . ?
C8 C9 1.484(8) . ?
N3 C9 1.329(8) . ?
N3 C13 1.353(8) . ?
O23 H23A 0.9658 . ?
O23 H23B 0.9643 . ?
N12 N11 1.421(8) . ?
N12 C50 1.293(9) . ?
N7 N8 1.412(9) . ?
N7 C35 1.304(10) . ?
C58 C57 1.492(10) . ?
N4 C14 1.358(9) . ?
N4 C20 1.331(9) . ?
N10 C42 1.355(8) . ?
N10 C48 1.336(9) . ?
C60 C59 1.494(9) . ?
C2 H2 0.9300 . ?
C2 C1 1.404(9) . ?
C2 C3 1.367(10) . ?
C14 C13 1.445(9) . ?
C14 C15 1.407(9) . ?
N6 N5 1.420(9) . ?
N6 C22 1.296(9) . ?
C21 N5 1.284(9) . ?
C21 C20 1.491(10) . ?
N9 C41 1.355(9) . ?
N9 C37 1.313(9) . ?
N8 C36 1.290(9) . ?
C1 C6 1.416(9) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C7 H7 0.9300 . ?
C7 C6 1.438(9) . ?
C20 C19 1.398(10) . ?
N11 C49 1.292(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.388(12) . ?
C53 H53 0.9300 . ?
C53 C54 1.385(11) . ?
C53 C52 1.376(11) . ?
C5 H5 0.9300 . ?
C5 C6 1.401(9) . ?
C5 C4 1.374(11) . ?
C43 C42 1.412(10) . ?
C43 C44 1.436(10) . ?
C43 C46 1.403(11) . ?
C41 C42 1.439(11) . ?
C41 C40 1.407(9) . ?
C62 C61 1.488(10) . ?
C11 H11 0.9300 . ?
C11 C10 1.386(9) . ?
C11 C12 1.414(10) . ?
C33 H33 0.9300 . ?
C33 C34 1.401(13) . ?
C33 C32 1.371(15) . ?
C10 H10 0.9300 . ?
C10 C9 1.409(9) . ?
C19 H19A 0.9300 . ?
C19 C18 1.386(11) . ?
C22 H22 0.9300 . ?
C22 C23 1.442(12) . ?
C49 C48 1.491(9) . ?
C44 H44 0.9300 . ?
C44 C45 1.326(12) . ?
C17 H17A 0.9300 . ?
C17 C16 1.352(11) . ?
C17 C12 1.427(9) . ?
C47 H47 0.9300 . ?
C47 C48 1.412(10) . ?
C47 C46 1.364(11) . ?
C54 H54 0.9300 . ?
C54 C55 1.371(12) . ?
C16 H16 0.9300 . ?
C16 C15 1.429(11) . ?
C36 C37 1.486(11) . ?
C12 C13 1.403(10) . ?
C15 C18 1.401(10) . ?
C37 C38 1.410(10) . ?
C56 C51 1.424(10) . ?
C56 C55 1.430(11) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C40 C45 1.428(11) . ?
C40 C39 1.399(11) . ?
C38 H38 0.9300 . ?
C38 C39 1.371(11) . ?
C28 C23 1.428(13) . ?
C28 C27 1.403(12) . ?
C23 C24 1.415(12) . ?
C64 C63 1.532(11) . ?
C46 H46 0.9300 . ?
C34 C35 1.433(13) . ?
C34 C29 1.392(14) . ?
C45 H45 0.9300 . ?
C18 H18 0.9300 . ?
C51 C50 1.445(10) . ?
C51 C52 1.400(10) . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C35 H35 0.9300 . ?
C39 H39 0.9300 . ?
C55 H55 0.9300 . ?
C29 C30 1.418(12) . ?
C30 H30 0.9300 . ?
C30 C31 1.366(15) . ?
C50 H50 0.9300 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C52 H52 0.9300 . ?
C24 H24 0.9300 . ?
C24 C25 1.370(15) . ?
C27 H27 0.9300 . ?
C27 C26 1.369(15) . ?
C25 H25 0.9300 . ?
C25 C26 1.361(17) . ?
C4 H4 0.9300 . ?
C31 H31 0.9300 . ?
C31 C32 1.363(18) . ?
C32 H32 0.9300 . ?
C26 H26 0.9300 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy2 Dy1 Dy4 73.714(9) . . ?
O20 Dy1 Dy2 38.44(11) . . ?
O20 Dy1 Dy4 38.20(10) . . ?
O20 Dy1 N1 128.46(16) . . ?
O19 Dy1 Dy2 103.36(13) . . ?
O19 Dy1 Dy4 32.86(13) . . ?
O19 Dy1 O20 70.87(16) . . ?
O19 Dy1 O1 87.50(17) . . ?
O19 Dy1 O2 139.74(17) . . ?
O19 Dy1 O9 87.14(18) . . ?
O19 Dy1 O11 95.40(19) . . ?
O19 Dy1 N1 156.91(17) . . ?
O1 Dy1 Dy2 156.24(14) . . ?
O1 Dy1 Dy4 120.24(12) . . ?
O1 Dy1 O20 158.36(16) . . ?
O1 Dy1 O2 131.38(17) . . ?
O1 Dy1 O9 97.77(18) . . ?
O1 Dy1 O11 101.02(18) . . ?
O1 Dy1 N1 72.73(16) . . ?
O2 Dy1 Dy2 36.94(11) . . ?
O2 Dy1 Dy4 107.93(11) . . ?
O2 Dy1 O20 69.83(15) . . ?
O2 Dy1 O9 78.58(17) . . ?
O2 Dy1 N1 62.63(16) . . ?
O9 Dy1 Dy2 62.36(11) . . ?
O9 Dy1 Dy4 85.82(12) . . ?
O9 Dy1 O20 81.10(17) . . ?
O9 Dy1 N1 106.86(18) . . ?
O11 Dy1 Dy2 98.94(11) . . ?
O11 Dy1 Dy4 86.27(13) . . ?
O11 Dy1 O20 82.09(17) . . ?
O11 Dy1 O2 87.63(18) . . ?
O11 Dy1 O9 161.13(16) . . ?
O11 Dy1 N1 77.36(19) . . ?
N1 Dy1 Dy2 99.44(12) . . ?
N1 Dy1 Dy4 161.16(14) . . ?
Dy1 Dy2 Dy3 99.093(9) . . ?
O20 Dy2 Dy1 38.71(11) . . ?
O20 Dy2 Dy3 77.78(10) . . ?
O20 Dy2 O10 72.98(16) . . ?
O20 Dy2 N3 122.91(17) . . ?
O20 Dy2 N4 150.62(18) . . ?
O3 Dy2 Dy1 132.43(12) . . ?
O3 Dy2 Dy3 33.41(12) . . ?
O3 Dy2 O20 105.03(16) . . ?
O3 Dy2 O2 165.88(17) . . ?
O3 Dy2 O21 92.32(17) . . ?
O3 Dy2 O10 65.50(16) . . ?
O3 Dy2 N3 127.96(17) . . ?
O3 Dy2 N4 64.06(18) . . ?
O2 Dy2 Dy1 36.64(10) . . ?
O2 Dy2 Dy3 133.90(10) . . ?
O2 Dy2 O20 69.81(16) . . ?
O2 Dy2 O21 81.60(18) . . ?
O2 Dy2 O10 100.40(15) . . ?
O2 Dy2 N3 62.74(15) . . ?
O2 Dy2 N4 126.77(17) . . ?
O21 Dy2 Dy1 94.85(11) . . ?
O21 Dy2 Dy3 94.26(11) . . ?
O21 Dy2 O20 128.13(16) . . ?
O21 Dy2 O10 70.83(16) . . ?
O21 Dy2 N3 74.46(18) . . ?
O21 Dy2 N4 80.82(18) . . ?
O15 Dy2 Dy1 104.33(12) . . ?
O15 Dy2 Dy3 102.89(13) . . ?
O15 Dy2 O20 78.10(17) . . ?
O15 Dy2 O3 89.93(18) . . ?
O15 Dy2 O2 101.49(18) . . ?
O15 Dy2 O21 151.67(17) . . ?
O15 Dy2 O10 134.61(18) . . ?
O15 Dy2 N3 81.96(19) . . ?
O15 Dy2 N4 74.84(19) . . ?
O10 Dy2 Dy1 72.80(10) . . ?
O10 Dy2 Dy3 37.40(11) . . ?
O10 Dy2 N3 143.36(18) . . ?
O10 Dy2 N4 119.97(17) . . ?
N3 Dy2 Dy1 99.17(12) . . ?
N3 Dy2 Dy3 159.25(13) . . ?
N4 Dy2 Dy1 163.36(13) . . ?
N4 Dy2 Dy3 97.25(13) . . ?
N4 Dy2 N3 64.19(18) . . ?
O20 Dy4 Dy1 38.14(10) . . ?
O20 Dy4 O13 72.29(15) . . ?
O20 Dy4 O14 72.05(16) . . ?
O20 Dy4 O6 93.35(16) . . ?
O20 Dy4 O7 84.62(17) . . ?
O20 Dy4 N10 130.31(16) . . ?
O20 Dy4 N9 136.31(18) . . ?
O19 Dy4 Dy1 32.57(11) . . ?
O19 Dy4 O20 70.52(15) . . ?
O19 Dy4 O13 133.84(17) . . ?
O19 Dy4 O17 145.68(18) . . ?
O19 Dy4 O14 135.87(16) . . ?
O19 Dy4 O6 94.66(18) . . ?
O19 Dy4 O7 93.55(18) . . ?
O19 Dy4 N10 74.97(18) . . ?
O19 Dy4 N9 75.34(17) . . ?
O13 Dy4 Dy1 107.51(11) . . ?
O13 Dy4 O14 49.02(15) . . ?
O13 Dy4 N9 117.48(16) . . ?
O17 Dy4 Dy1 174.97(15) . . ?
O17 Dy4 O20 143.71(18) . . ?
O17 Dy4 O13 76.25(18) . . ?
O17 Dy4 O14 73.82(18) . . ?
O17 Dy4 O6 86.99(19) . . ?
O17 Dy4 O7 89.1(2) . . ?
O17 Dy4 N10 75.94(19) . . ?
O17 Dy4 N9 75.0(2) . . ?
O14 Dy4 Dy1 105.95(11) . . ?
O6 Dy4 Dy1 97.73(11) . . ?
O6 Dy4 O13 61.27(16) . . ?
O6 Dy4 O14 110.11(16) . . ?
O6 Dy4 N10 124.42(17) . . ?
O6 Dy4 N9 62.88(17) . . ?
O7 Dy4 Dy1 86.52(13) . . ?
O7 Dy4 O13 109.21(16) . . ?
O7 Dy4 O14 60.29(15) . . ?
O7 Dy4 O6 170.35(17) . . ?
O7 Dy4 N10 62.84(17) . . ?
O7 Dy4 N9 124.41(17) . . ?
N10 Dy4 Dy1 99.84(13) . . ?
N10 Dy4 O13 151.15(18) . . ?
N10 Dy4 O14 114.71(17) . . ?
N10 Dy4 N9 61.66(18) . . ?
N9 Dy4 Dy1 105.53(13) . . ?
N9 Dy4 O14 148.42(17) . . ?
O3 Dy3 Dy2 32.75(11) . . ?
O3 Dy3 O13 75.87(17) . . ?
O3 Dy3 O6 121.44(15) . . ?
O3 Dy3 O10 64.80(15) . . ?
O3 Dy3 N7 142.3(2) . . ?
O3 Dy3 N6 63.41(18) . . ?
O4 Dy3 Dy2 150.84(15) . . ?
O4 Dy3 O3 133.36(19) . . ?
O4 Dy3 O13 86.48(19) . . ?
O4 Dy3 O6 86.63(18) . . ?
O4 Dy3 O10 158.26(18) . . ?
O4 Dy3 O5 104.6(2) . . ?
O4 Dy3 N7 81.4(2) . . ?
O4 Dy3 N6 72.6(2) . . ?
O13 Dy3 Dy2 66.16(12) . . ?
O13 Dy3 O10 87.86(17) . . ?
O13 Dy3 N7 128.64(19) . . ?
O13 Dy3 N6 85.58(18) . . ?
O6 Dy3 Dy2 90.27(10) . . ?
O6 Dy3 O13 64.65(17) . . ?
O6 Dy3 O10 71.99(15) . . ?
O6 Dy3 N7 64.95(19) . . ?
O6 Dy3 N6 144.85(19) . . ?
O10 Dy3 Dy2 37.28(11) . . ?
O10 Dy3 N7 85.85(18) . . ?
O10 Dy3 N6 127.84(17) . . ?
O5 Dy3 Dy2 98.55(14) . . ?
O5 Dy3 O3 83.2(2) . . ?
O5 Dy3 O13 158.47(19) . . ?
O5 Dy3 O6 133.2(2) . . ?
O5 Dy3 O10 87.89(19) . . ?
O5 Dy3 N7 72.0(2) . . ?
O5 Dy3 N6 80.4(2) . . ?
N7 Dy3 Dy2 123.12(15) . . ?
N7 Dy3 N6 135.6(2) . . ?
N6 Dy3 Dy2 94.46(14) . . ?
O12 Dy5 O16 77.32(18) . . ?
O12 Dy5 O14 93.89(18) . . ?
O12 Dy5 O7 76.01(18) . . ?
O12 Dy5 O22 150.2(2) . . ?
O12 Dy5 O23 150.9(2) . . ?
O12 Dy5 N12 81.7(2) . . ?
O16 Dy5 O14 80.29(18) . . ?
O16 Dy5 O7 133.80(18) . . ?
O16 Dy5 O22 131.4(2) . . ?
O16 Dy5 O23 73.6(2) . . ?
O16 Dy5 N12 145.3(2) . . ?
O14 Dy5 O7 64.77(16) . . ?
O14 Dy5 O22 85.2(2) . . ?
O14 Dy5 O23 82.8(2) . . ?
O14 Dy5 N12 128.82(18) . . ?
O8 Dy5 O12 91.1(2) . . ?
O8 Dy5 O16 80.2(2) . . ?
O8 Dy5 O14 158.31(18) . . ?
O8 Dy5 O7 136.83(18) . . ?
O8 Dy5 O22 100.7(3) . . ?
O8 Dy5 O23 82.6(2) . . ?
O8 Dy5 N12 72.80(19) . . ?
O7 Dy5 O23 126.8(2) . . ?
O7 Dy5 N12 64.72(18) . . ?
O22 Dy5 O7 76.7(2) . . ?
O22 Dy5 O23 58.6(3) . . ?
O22 Dy5 N12 76.0(2) . . ?
O23 Dy5 N12 122.6(3) . . ?
Dy1 O20 Dy4 103.66(16) . . ?
Dy1 O20 H20 94.8(15) . . ?
Dy2 O20 Dy1 102.85(18) . . ?
Dy2 O20 Dy4 140.7(2) . . ?
Dy2 O20 H20 98.1(13) . . ?
Dy4 O20 H20 108.0(13) . . ?
Dy1 O19 Dy4 114.6(2) . . ?
Dy1 O19 H19 121(6) . . ?
Dy4 O19 H19 124(6) . . ?
C1 O1 Dy1 135.9(4) . . ?
Dy2 O3 Dy3 113.84(19) . . ?
C21 O3 Dy2 125.6(4) . . ?
C21 O3 Dy3 120.2(4) . . ?
Dy1 O2 Dy2 106.41(17) . . ?
C8 O2 Dy1 124.5(4) . . ?
C8 O2 Dy2 128.9(4) . . ?
C60 O12 Dy5 138.2(5) . . ?
C64 O16 Dy5 135.8(5) . . ?
C28 O4 Dy3 144.0(5) . . ?
Dy3 O13 Dy4 110.90(19) . . ?
C62 O13 Dy4 97.3(4) . . ?
C62 O13 Dy3 150.2(5) . . ?
Dy2 O21 H21 110.6 . . ?
C58 O9 Dy1 140.9(5) . . ?
C64 O15 Dy2 171.1(5) . . ?
Dy4 O17 H17 124.2(16) . . ?
C65 O17 Dy4 124.4(6) . . ?
C65 O17 H17 111.3(16) . . ?
Dy5 O14 Dy4 111.17(18) . . ?
C62 O14 Dy4 93.8(4) . . ?
C62 O14 Dy5 148.9(5) . . ?
C56 O8 Dy5 141.6(5) . . ?
Dy3 O6 Dy4 117.5(2) . . ?
C36 O6 Dy4 125.3(4) . . ?
C36 O6 Dy3 117.1(4) . . ?
C8 N2 N1 110.1(5) . . ?
C66 O18 H18A 109.5 . . ?
Dy5 O7 Dy4 118.61(19) . . ?
C49 O7 Dy4 125.5(4) . . ?
C49 O7 Dy5 115.6(4) . . ?
Dy2 O10 Dy3 105.32(18) . . ?
C58 O10 Dy2 115.1(4) . . ?
C58 O10 Dy3 139.2(4) . . ?
C60 O11 Dy1 134.5(4) . . ?
C29 O5 Dy3 140.1(6) . . ?
N2 N1 Dy1 117.6(4) . . ?
C7 N1 Dy1 127.8(4) . . ?
C7 N1 N2 113.3(5) . . ?
Dy5 O22 H22A 127.8 . . ?
Dy5 O22 H22B 127.6 . . ?
H22A O22 H22B 104.6 . . ?
O2 C8 N2 123.9(5) . . ?
O2 C8 C9 114.5(5) . . ?
N2 C8 C9 121.6(5) . . ?
C9 N3 Dy2 121.1(4) . . ?
C9 N3 C13 118.4(6) . . ?
C13 N3 Dy2 120.5(4) . . ?
Dy5 O23 H23A 114.8 . . ?
Dy5 O23 H23B 114.5 . . ?
H23A O23 H23B 99.2 . . ?
N11 N12 Dy5 116.4(4) . . ?
C50 N12 Dy5 131.8(5) . . ?
C50 N12 N11 111.5(6) . . ?
N8 N7 Dy3 117.1(4) . . ?
C35 N7 Dy3 131.1(6) . . ?
C35 N7 N8 111.5(7) . . ?
O9 C58 O10 123.5(7) . . ?
O9 C58 C57 117.8(6) . . ?
O10 C58 C57 118.6(6) . . ?
C14 N4 Dy2 120.9(4) . . ?
C20 N4 Dy2 120.4(5) . . ?
C20 N4 C14 118.1(6) . . ?
C42 N10 Dy4 122.5(5) . . ?
C48 N10 Dy4 120.1(4) . . ?
C48 N10 C42 117.2(6) . . ?
O12 C60 O11 122.7(6) . . ?
O12 C60 C59 119.4(7) . . ?
O11 C60 C59 117.9(6) . . ?
C1 C2 H2 118.7 . . ?
C3 C2 H2 118.7 . . ?
C3 C2 C1 122.6(7) . . ?
N4 C14 C13 117.0(6) . . ?
N4 C14 C15 123.2(7) . . ?
C15 C14 C13 119.7(6) . . ?
N5 N6 Dy3 117.4(4) . . ?
C22 N6 Dy3 131.3(6) . . ?
C22 N6 N5 111.3(6) . . ?
O3 C21 C20 115.7(6) . . ?
N5 C21 O3 125.5(7) . . ?
N5 C21 C20 118.7(6) . . ?
C41 N9 Dy4 122.1(4) . . ?
C37 N9 Dy4 119.8(5) . . ?
C37 N9 C41 118.1(6) . . ?
C21 N5 N6 110.6(6) . . ?
C36 N8 N7 112.3(6) . . ?
O1 C1 C2 120.2(6) . . ?
O1 C1 C6 122.7(6) . . ?
C2 C1 C6 117.1(6) . . ?
C58 C57 H57A 109.5 . . ?
C58 C57 H57B 109.5 . . ?
C58 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N1 C7 H7 117.2 . . ?
N1 C7 C6 125.5(6) . . ?
C6 C7 H7 117.2 . . ?
N4 C20 C21 111.9(6) . . ?
N4 C20 C19 123.3(7) . . ?
C19 C20 C21 124.6(6) . . ?
C49 N11 N12 111.2(6) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0(7) . . ?
C4 C3 H3 120.0 . . ?
C54 C53 H53 120.8 . . ?
C52 C53 H53 120.8 . . ?
C52 C53 C54 118.4(7) . . ?
C6 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.5(7) . . ?
C42 C43 C44 118.5(7) . . ?
C46 C43 C42 116.7(7) . . ?
C46 C43 C44 124.7(7) . . ?
N9 C41 C42 116.5(6) . . ?
N9 C41 C40 123.5(7) . . ?
C40 C41 C42 120.0(7) . . ?
C1 C6 C7 125.0(6) . . ?
C5 C6 C1 119.5(6) . . ?
C5 C6 C7 115.6(6) . . ?
O13 C62 O14 119.7(6) . . ?
O13 C62 C61 120.8(7) . . ?
O14 C62 C61 119.4(7) . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.2(6) . . ?
C12 C11 H11 119.9 . . ?
C34 C33 H33 118.8 . . ?
C32 C33 H33 118.8 . . ?
C32 C33 C34 122.4(11) . . ?
C11 C10 H10 120.8 . . ?
C11 C10 C9 118.5(6) . . ?
C9 C10 H10 120.8 . . ?
C20 C19 H19A 121.0 . . ?
C18 C19 C20 118.0(7) . . ?
C18 C19 H19A 121.0 . . ?
N10 C42 C43 123.6(7) . . ?
N10 C42 C41 117.1(6) . . ?
C43 C42 C41 119.3(6) . . ?
N6 C22 H22 117.3 . . ?
N6 C22 C23 125.3(8) . . ?
C23 C22 H22 117.3 . . ?
O7 C49 C48 117.1(6) . . ?
N11 C49 O7 127.8(6) . . ?
N11 C49 C48 115.1(6) . . ?
C43 C44 H44 119.1 . . ?
C45 C44 C43 121.8(8) . . ?
C45 C44 H44 119.1 . . ?
C16 C17 H17A 119.8 . . ?
C16 C17 C12 120.4(7) . . ?
C12 C17 H17A 119.8 . . ?
C48 C47 H47 120.9 . . ?
C46 C47 H47 120.9 . . ?
C46 C47 C48 118.2(7) . . ?
C53 C54 H54 119.4 . . ?
C55 C54 C53 121.2(7) . . ?
C55 C54 H54 119.4 . . ?
N3 C9 C8 112.6(5) . . ?
N3 C9 C10 122.7(6) . . ?
C10 C9 C8 124.7(6) . . ?
C17 C16 H16 119.2 . . ?
C17 C16 C15 121.7(7) . . ?
C15 C16 H16 119.2 . . ?
O6 C36 C37 116.0(6) . . ?
N8 C36 O6 126.3(7) . . ?
N8 C36 C37 117.8(6) . . ?
N10 C48 C49 113.5(6) . . ?
N10 C48 C47 123.6(6) . . ?
C47 C48 C49 122.9(7) . . ?
C11 C12 C17 123.7(7) . . ?
C13 C12 C11 116.3(6) . . ?
C13 C12 C17 120.0(7) . . ?
N3 C13 C14 117.0(6) . . ?
N3 C13 C12 123.9(6) . . ?
C12 C13 C14 119.1(6) . . ?
C14 C15 C16 118.9(7) . . ?
C18 C15 C14 116.7(7) . . ?
C18 C15 C16 124.3(7) . . ?
N9 C37 C36 115.4(6) . . ?
N9 C37 C38 123.1(7) . . ?
C38 C37 C36 121.5(7) . . ?
O8 C56 C51 123.0(7) . . ?
O8 C56 C55 121.2(7) . . ?
C51 C56 C55 115.8(7) . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C41 C40 C45 118.6(7) . . ?
C39 C40 C41 116.5(7) . . ?
C39 C40 C45 124.9(7) . . ?
C37 C38 H38 120.8 . . ?
C39 C38 C37 118.4(7) . . ?
C39 C38 H38 120.8 . . ?
O4 C28 C23 120.9(8) . . ?
O4 C28 C27 120.4(9) . . ?
C27 C28 C23 118.6(8) . . ?
C28 C23 C22 124.7(7) . . ?
C24 C23 C22 117.7(9) . . ?
C24 C23 C28 117.6(9) . . ?
O16 C64 O15 126.0(7) . . ?
O16 C64 C63 116.8(8) . . ?
O15 C64 C63 117.2(8) . . ?
C43 C46 H46 119.7 . . ?
C47 C46 C43 120.7(7) . . ?
C47 C46 H46 119.7 . . ?
C33 C34 C35 117.0(9) . . ?
C29 C34 C33 119.5(9) . . ?
C29 C34 C35 123.5(8) . . ?
C44 C45 C40 121.8(7) . . ?
C44 C45 H45 119.1 . . ?
C40 C45 H45 119.1 . . ?
C19 C18 C15 120.5(7) . . ?
C19 C18 H18 119.7 . . ?
C15 C18 H18 119.7 . . ?
C56 C51 C50 122.9(7) . . ?
C52 C51 C56 120.1(7) . . ?
C52 C51 C50 117.0(7) . . ?
C60 C59 H59A 109.5 . . ?
C60 C59 H59B 109.5 . . ?
C60 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
N7 C35 C34 126.4(9) . . ?
N7 C35 H35 116.8 . . ?
C34 C35 H35 116.8 . . ?
C40 C39 H39 119.8 . . ?
C38 C39 C40 120.4(7) . . ?
C38 C39 H39 119.8 . . ?
C54 C55 C56 122.2(8) . . ?
C54 C55 H55 118.9 . . ?
C56 C55 H55 118.9 . . ?
O5 C29 C34 123.1(8) . . ?
O5 C29 C30 119.4(9) . . ?
C34 C29 C30 117.5(9) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.3(11) . . ?
C31 C30 H30 119.9 . . ?
N12 C50 C51 125.6(7) . . ?
N12 C50 H50 117.2 . . ?
C51 C50 H50 117.2 . . ?
O18 C66 H66A 109.5 . . ?
O18 C66 H66B 109.5 . . ?
O18 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C53 C52 C51 122.3(7) . . ?
C53 C52 H52 118.9 . . ?
C51 C52 H52 118.9 . . ?
C23 C24 H24 119.3 . . ?
C25 C24 C23 121.4(11) . . ?
C25 C24 H24 119.3 . . ?
C28 C27 H27 119.4 . . ?
C26 C27 C28 121.3(11) . . ?
C26 C27 H27 119.4 . . ?
C24 C25 H25 119.7 . . ?
C26 C25 C24 120.6(10) . . ?
C26 C25 H25 119.7 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.3(8) . . ?
C5 C4 H4 120.3 . . ?
C30 C31 H31 118.6 . . ?
C32 C31 C30 122.9(11) . . ?
C32 C31 H31 118.6 . . ?
C33 C32 H32 121.3 . . ?
C31 C32 C33 117.4(10) . . ?
C31 C32 H32 121.3 . . ?
C27 C26 H26 119.7 . . ?
C25 C26 C27 120.6(10) . . ?
C25 C26 H26 119.7 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O17 C65 H65A 109.5 . . ?
O17 C65 H65B 109.5 . . ?
O17 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 C2 147.3(6) . . . . ?
Dy1 O1 C1 C6 -34.1(12) . . . . ?
Dy1 O2 C8 N2 9.8(10) . . . . ?
Dy1 O2 C8 C9 -170.6(5) . . . . ?
Dy1 O9 C58 O10 23.2(11) . . . . ?
Dy1 O9 C58 C57 -158.7(5) . . . . ?
Dy1 O11 C60 O12 42.2(10) . . . . ?
Dy1 O11 C60 C59 -138.9(6) . . . . ?
Dy1 N1 C7 C6 14.0(12) . . . . ?
Dy2 O3 C21 N5 -160.2(6) . . . . ?
Dy2 O3 C21 C20 17.3(9) . . . . ?
Dy2 O2 C8 N2 -175.3(5) . . . . ?
Dy2 O2 C8 C9 4.3(9) . . . . ?
Dy2 O10 C58 O9 35.3(8) . . . . ?
Dy2 O10 C58 C57 -142.8(5) . . . . ?
Dy2 N3 C9 C8 2.0(9) . . . . ?
Dy2 N3 C9 C10 -177.6(6) . . . . ?
Dy2 N3 C13 C14 -3.8(9) . . . . ?
Dy2 N3 C13 C12 176.6(6) . . . . ?
Dy2 N4 C14 C13 5.0(9) . . . . ?
Dy2 N4 C14 C15 -171.4(6) . . . . ?
Dy2 N4 C20 C21 -5.0(8) . . . . ?
Dy2 N4 C20 C19 171.5(6) . . . . ?
Dy4 O13 C62 O14 4.6(7) . . . . ?
Dy4 O13 C62 C61 -175.3(6) . . . . ?
Dy4 O14 C62 O13 -4.5(7) . . . . ?
Dy4 O14 C62 C61 175.4(6) . . . . ?
Dy4 O6 C36 N8 -170.1(6) . . . . ?
Dy4 O6 C36 C37 10.8(9) . . . . ?
Dy4 O7 C49 N11 168.5(7) . . . . ?
Dy4 O7 C49 C48 -10.8(10) . . . . ?
Dy4 N10 C42 C43 176.2(6) . . . . ?
Dy4 N10 C42 C41 -2.7(9) . . . . ?
Dy4 N10 C48 C49 4.2(9) . . . . ?
Dy4 N10 C48 C47 -177.0(6) . . . . ?
Dy4 N9 C41 C42 1.5(8) . . . . ?
Dy4 N9 C41 C40 -179.2(5) . . . . ?
Dy4 N9 C37 C36 -0.4(9) . . . . ?
Dy4 N9 C37 C38 -180.0(6) . . . . ?
Dy3 O3 C21 N5 12.3(11) . . . . ?
Dy3 O3 C21 C20 -170.2(5) . . . . ?
Dy3 O4 C28 C23 15.2(13) . . . . ?
Dy3 O4 C28 C27 -168.0(6) . . . . ?
Dy3 O13 C62 O14 -156.3(6) . . . . ?
Dy3 O13 C62 C61 23.8(13) . . . . ?
Dy3 O6 C36 N8 12.2(10) . . . . ?
Dy3 O6 C36 C37 -166.9(5) . . . . ?
Dy3 O10 C58 O9 -136.5(6) . . . . ?
Dy3 O10 C58 C57 45.5(10) . . . . ?
Dy3 O5 C29 C34 -23.0(14) . . . . ?
Dy3 O5 C29 C30 158.7(7) . . . . ?
Dy3 N7 N8 C36 -11.3(8) . . . . ?
Dy3 N7 C35 C34 5.5(13) . . . . ?
Dy3 N6 N5 C21 -14.3(8) . . . . ?
Dy3 N6 C22 C23 8.1(12) . . . . ?
Dy5 O12 C60 O11 100.0(9) . . . . ?
Dy5 O12 C60 C59 -79.0(8) . . . . ?
Dy5 O16 C64 O15 5.6(14) . . . . ?
Dy5 O16 C64 C63 -178.1(8) . . . . ?
Dy5 O14 C62 O13 139.6(7) . . . . ?
Dy5 O14 C62 C61 -40.5(13) . . . . ?
Dy5 O8 C56 C51 -19.4(16) . . . . ?
Dy5 O8 C56 C55 160.0(8) . . . . ?
Dy5 O7 C49 N11 -17.5(11) . . . . ?
Dy5 O7 C49 C48 163.3(5) . . . . ?
Dy5 N12 N11 C49 15.1(9) . . . . ?
Dy5 N12 C50 C51 -8.0(14) . . . . ?
O1 C1 C6 C7 1.9(13) . . . . ?
O1 C1 C6 C5 -178.6(9) . . . . ?
O3 C21 N5 N6 2.1(11) . . . . ?
O3 C21 C20 N4 -6.7(10) . . . . ?
O3 C21 C20 C19 176.9(7) . . . . ?
O2 C8 C9 N3 -3.7(9) . . . . ?
O2 C8 C9 C10 175.9(7) . . . . ?
O4 C28 C23 C22 -6.9(12) . . . . ?
O4 C28 C23 C24 177.3(7) . . . . ?
O4 C28 C27 C26 -177.8(9) . . . . ?
O8 C56 C51 C50 1.8(14) . . . . ?
O8 C56 C51 C52 -177.6(8) . . . . ?
O8 C56 C55 C54 178.6(9) . . . . ?
O6 C36 C37 N9 -6.2(10) . . . . ?
O6 C36 C37 C38 173.4(7) . . . . ?
N2 N1 C7 C6 -179.3(7) . . . . ?
N2 C8 C9 N3 175.9(7) . . . . ?
N2 C8 C9 C10 -4.5(12) . . . . ?
O7 C49 C48 N10 3.6(11) . . . . ?
O7 C49 C48 C47 -175.3(8) . . . . ?
O5 C29 C30 C31 177.5(9) . . . . ?
N1 N2 C8 O2 -0.5(10) . . . . ?
N1 N2 C8 C9 179.9(6) . . . . ?
N1 C7 C6 C1 4.7(14) . . . . ?
N1 C7 C6 C5 -174.8(9) . . . . ?
C8 N2 N1 Dy1 -7.6(7) . . . . ?
C8 N2 N1 C7 -175.7(7) . . . . ?
N12 N11 C49 O7 1.4(13) . . . . ?
N12 N11 C49 C48 -179.4(7) . . . . ?
N7 N8 C36 O6 -0.3(11) . . . . ?
N7 N8 C36 C37 178.8(6) . . . . ?
N4 C14 C13 N3 -0.7(11) . . . . ?
N4 C14 C13 C12 178.9(7) . . . . ?
N4 C14 C15 C16 179.9(8) . . . . ?
N4 C14 C15 C18 -1.2(12) . . . . ?
N4 C20 C19 C18 1.1(12) . . . . ?
C2 C1 C6 C7 -179.5(8) . . . . ?
C2 C1 C6 C5 0.0(13) . . . . ?
C2 C3 C4 C5 1(2) . . . . ?
C14 N4 C20 C21 -176.8(7) . . . . ?
C14 N4 C20 C19 -0.3(11) . . . . ?
C14 C15 C18 C19 2.0(12) . . . . ?
N6 C22 C23 C28 -3.4(13) . . . . ?
N6 C22 C23 C24 172.4(8) . . . . ?
C21 C20 C19 C18 177.2(8) . . . . ?
N9 C41 C42 N10 0.8(10) . . . . ?
N9 C41 C42 C43 -178.2(7) . . . . ?
N9 C41 C40 C45 179.4(7) . . . . ?
N9 C41 C40 C39 0.5(11) . . . . ?
N9 C37 C38 C39 -2.0(12) . . . . ?
N5 N6 C22 C23 -173.6(7) . . . . ?
N5 C21 C20 N4 171.0(7) . . . . ?
N5 C21 C20 C19 -5.4(12) . . . . ?
N8 N7 C35 C34 179.1(8) . . . . ?
N8 C36 C37 N9 174.6(7) . . . . ?
N8 C36 C37 C38 -5.7(11) . . . . ?
C1 C2 C3 C4 -1.1(18) . . . . ?
C20 N4 C14 C13 176.7(7) . . . . ?
C20 N4 C14 C15 0.3(12) . . . . ?
C20 C21 N5 N6 -175.3(6) . . . . ?
C20 C19 C18 C15 -2.0(13) . . . . ?
N11 N12 C50 C51 178.7(8) . . . . ?
N11 C49 C48 N10 -175.8(7) . . . . ?
N11 C49 C48 C47 5.4(12) . . . . ?
C3 C2 C1 O1 179.3(9) . . . . ?
C3 C2 C1 C6 0.6(14) . . . . ?
C53 C54 C55 C56 0.5(15) . . . . ?
C43 C44 C45 C40 -0.4(14) . . . . ?
C41 N9 C37 C36 -178.5(6) . . . . ?
C41 N9 C37 C38 1.9(11) . . . . ?
C41 C40 C45 C44 0.3(12) . . . . ?
C41 C40 C39 C38 -0.5(11) . . . . ?
C6 C5 C4 C3 0(2) . . . . ?
C11 C10 C9 C8 179.7(7) . . . . ?
C11 C10 C9 N3 -0.8(12) . . . . ?
C11 C12 C13 N3 2.5(12) . . . . ?
C11 C12 C13 C14 -177.1(7) . . . . ?
C33 C34 C35 N7 -175.8(9) . . . . ?
C33 C34 C29 O5 -177.8(9) . . . . ?
C33 C34 C29 C30 0.5(14) . . . . ?
C10 C11 C12 C17 -179.8(8) . . . . ?
C10 C11 C12 C13 -0.9(12) . . . . ?
C42 N10 C48 C49 178.9(7) . . . . ?
C42 N10 C48 C47 -2.3(11) . . . . ?
C42 C43 C44 C45 1.5(13) . . . . ?
C42 C43 C46 C47 -2.4(13) . . . . ?
C42 C41 C40 C45 -1.4(11) . . . . ?
C42 C41 C40 C39 179.7(7) . . . . ?
C22 N6 N5 C21 167.1(7) . . . . ?
C22 C23 C24 C25 -175.3(9) . . . . ?
C44 C43 C42 N10 178.6(7) . . . . ?
C44 C43 C42 C41 -2.5(11) . . . . ?
C44 C43 C46 C47 179.8(8) . . . . ?
C17 C16 C15 C14 0.1(13) . . . . ?
C17 C16 C15 C18 -178.7(9) . . . . ?
C17 C12 C13 N3 -178.5(8) . . . . ?
C17 C12 C13 C14 1.9(12) . . . . ?
C54 C53 C52 C51 1.0(13) . . . . ?
C9 N3 C13 C14 176.4(7) . . . . ?
C9 N3 C13 C12 -3.2(11) . . . . ?
C16 C17 C12 C11 -179.3(9) . . . . ?
C16 C17 C12 C13 1.8(13) . . . . ?
C16 C15 C18 C19 -179.2(8) . . . . ?
C36 C37 C38 C39 178.4(7) . . . . ?
C48 N10 C42 C43 1.6(11) . . . . ?
C48 N10 C42 C41 -177.3(7) . . . . ?
C48 C47 C46 C43 1.9(14) . . . . ?
C12 C11 C10 C9 0.1(12) . . . . ?
C12 C17 C16 C15 -2.8(14) . . . . ?
C13 N3 C9 C8 -178.1(6) . . . . ?
C13 N3 C9 C10 2.3(12) . . . . ?
C13 C14 C15 C16 3.7(12) . . . . ?
C13 C14 C15 C18 -177.4(7) . . . . ?
C15 C14 C13 N3 175.7(7) . . . . ?
C15 C14 C13 C12 -4.6(11) . . . . ?
C37 N9 C41 C42 179.6(7) . . . . ?
C37 N9 C41 C40 -1.2(10) . . . . ?
C37 C38 C39 C40 1.2(12) . . . . ?
C56 C51 C50 N12 10.1(14) . . . . ?
C56 C51 C52 C53 -2.5(13) . . . . ?
C40 C41 C42 N10 -178.5(6) . . . . ?
C40 C41 C42 C43 2.5(11) . . . . ?
C28 C23 C24 C25 0.8(14) . . . . ?
C28 C27 C26 C25 0.3(16) . . . . ?
C23 C28 C27 C26 -1.0(13) . . . . ?
C23 C24 C25 C26 -1.5(17) . . . . ?
C46 C43 C42 N10 0.7(12) . . . . ?
C46 C43 C42 C41 179.6(7) . . . . ?
C46 C43 C44 C45 179.3(9) . . . . ?
C46 C47 C48 N10 0.6(13) . . . . ?
C46 C47 C48 C49 179.3(8) . . . . ?
C34 C33 C32 C31 -1(2) . . . . ?
C34 C29 C30 C31 -0.8(15) . . . . ?
C45 C40 C39 C38 -179.3(8) . . . . ?
C51 C56 C55 C54 -1.9(14) . . . . ?
C35 N7 N8 C36 174.2(7) . . . . ?
C35 C34 C29 O5 1.8(14) . . . . ?
C35 C34 C29 C30 -179.9(9) . . . . ?
C39 C40 C45 C44 179.1(8) . . . . ?
C55 C56 C51 C50 -177.7(8) . . . . ?
C55 C56 C51 C52 2.9(12) . . . . ?
C29 C34 C35 N7 4.7(15) . . . . ?
C29 C30 C31 C32 0.3(19) . . . . ?
C30 C31 C32 C33 1(2) . . . . ?
C50 N12 N11 C49 -170.5(8) . . . . ?
C50 C51 C52 C53 178.0(8) . . . . ?
C52 C53 C54 C55 0.1(14) . . . . ?
C52 C51 C50 N12 -170.4(8) . . . . ?
C24 C25 C26 C27 0.9(18) . . . . ?
C27 C28 C23 C22 176.2(8) . . . . ?
C27 C28 C23 C24 0.4(12) . . . . ?
C4 C5 C6 C1 -0.2(16) . . . . ?
C4 C5 C6 C7 179.4(11) . . . . ?
C32 C33 C34 C35 -179.2(11) . . . . ?
C32 C33 C34 C29 0.4(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_222_sq_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1976907'
loop_
_audit_author_name
_audit_author_address
'tong liu'
;guangxishifandaxue
China
;
_audit_update_record             
;
2020-01-11 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
_audit_creation_date             2019-10-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C71 H63 Dy5 N12 O24, C H4 O'
_chemical_formula_sum            'C72 H66 Dy5 N12 O25'
_chemical_formula_weight         2311.86
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.3856(2)
_cell_length_b                   16.2878(2)
_cell_length_c                   19.7277(2)
_cell_angle_alpha                78.4020(10)
_cell_angle_beta                 74.5510(10)
_cell_angle_gamma                78.4430(10)
_cell_volume                     4611.04(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    35177
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      76.3890
_cell_measurement_theta_min      2.3380
_shelx_estimated_absorpt_T_max   0.086
_shelx_estimated_absorpt_T_min   0.044
_exptl_absorpt_coefficient_mu    21.891
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0425
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            57142
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         76.690
_diffrn_reflns_theta_min         2.352
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16919
_reflns_number_total             18701
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.713
_refine_diff_density_min         -1.969
_refine_diff_density_rms         0.179
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1051
_refine_ls_number_reflns         18701
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0432
_refine_ls_restrained_S_all      1.129
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0580P)²+30.4310P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1335
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O23-H23
 0.85 with sigma of 0.01
 O21-H21
 0.85 with sigma of 0.01
 O22-H22
 0.85 with sigma of 0.01
 H23-H24A
 2.2 with sigma of 0.02
 H25-O25
 0.82 with sigma of 0.02
 C71-H23
 1.87441 with sigma of 0.02
 Dy4-H23
 2.860648 with sigma of 0.02
 C69-H21
 1.925619 with sigma of 0.02
 Dy2-H21
 2.949383 with sigma of 0.02
 C70-H22
 1.88506 with sigma of 0.02
 Dy1-H22
 2.928553 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C38(H38), C39(H39), C24(H24), C10(H10), C7(H7), C27(H27), C33(H33), C30(H30),
 C4(H4), C55(H55), C11(H11), C44(H44), C35(H35), C19(H19), C2(H2), C5(H5),
 C16(H16), C18(H18), C22(H22A), C52(H52), C46(H46), C50(H50), C45(H45),
 C53(H53), C26(H26), C25(H25A), C17(H17), C47(H47), C32(H32), C3(H3), C31(H31),
 C54(H54)
3.b Idealised Me refined as rotating group:
 C59(H59A,H59B,H59C), C57(H57A,H57B,H57C), C63(H63A,H63B,H63C), C71(H71A,H71B,
 H71C), C70(H70A,H70B,H70C), C72(H72A,H72B,H72C), C69(H69A,H69B,H69C), C65(H65A,
 H65B,H65C), C67(H67A,H67B,H67C), C61(H61A,H61B,H61C)
3.c Idealised tetrahedral OH refined as rotating group:
 O24(H24A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy4 Dy 0.21399(2) 0.77984(2) 0.32423(2) 0.01649(8) Uani 1 1 d D . . . .
Dy1 Dy 0.28498(2) 0.85682(2) 0.12367(2) 0.01699(8) Uani 1 1 d D . . . .
Dy2 Dy 0.45562(2) 0.90435(2) 0.21075(2) 0.01776(8) Uani 1 1 d D . . . .
Dy3 Dy 0.29807(2) 0.96658(2) 0.38989(2) 0.01830(8) Uani 1 1 d . . . . .
Dy5 Dy 0.42626(3) 0.57865(2) 0.29180(2) 0.02697(10) Uani 1 1 d . . . . .
O2 O 0.4278(3) 0.8973(3) 0.1026(2) 0.0214(8) Uani 1 1 d . . . . .
O12 O 0.3108(3) 0.9848(3) 0.2599(2) 0.0204(8) Uani 1 1 d . . . . .
O25 O 0.3396(3) 0.8155(2) 0.2286(2) 0.0162(8) Uani 1 1 d D . . . .
O6 O 0.1749(3) 0.9096(2) 0.3723(2) 0.0188(8) Uani 1 1 d . . . . .
O3 O 0.4484(3) 0.9430(3) 0.3184(2) 0.0209(8) Uani 1 1 d . . . . .
O8 O 0.5289(4) 0.4755(3) 0.2490(3) 0.0449(14) Uani 1 1 d . . . . .
O4 O 0.2387(3) 0.9298(3) 0.5045(2) 0.0254(9) Uani 1 1 d . . . . .
O11 O 0.2626(3) 0.9893(3) 0.1627(2) 0.0209(8) Uani 1 1 d . . . . .
O7 O 0.2724(3) 0.6429(3) 0.2853(2) 0.0266(9) Uani 1 1 d . . . . .
O16 O 0.3274(3) 0.8187(2) 0.3822(2) 0.0217(8) Uani 1 1 d . . . . .
O5 O 0.3271(3) 1.0962(3) 0.3775(3) 0.0317(10) Uani 1 1 d . . . . .
O14 O 0.5291(3) 0.7748(3) 0.2466(2) 0.0278(10) Uani 1 1 d . . . . .
O20 O 0.3874(3) 0.7367(3) 0.0917(2) 0.0283(10) Uani 1 1 d . . . . .
O1 O 0.1823(3) 0.9226(3) 0.0629(2) 0.0235(9) Uani 1 1 d . . . . .
O23 O 0.1716(3) 0.7111(3) 0.4423(2) 0.0241(9) Uani 1 1 d D . . . .
H23 H 0.161(5) 0.6603(17) 0.4488(11) 0.036 Uiso 1 1 d DR . . . .
N3 N 0.5917(3) 0.9025(3) 0.1034(3) 0.0198(10) Uani 1 1 d . . . . .
O10 O 0.1593(3) 0.8518(3) 0.2269(2) 0.0244(9) Uani 1 1 d . . . . .
O15 O 0.3627(3) 0.6905(2) 0.3576(2) 0.0221(8) Uani 1 1 d . . . . .
O21 O 0.4582(3) 1.0506(3) 0.1604(2) 0.0236(9) Uani 1 1 d D . . . .
H21 H 0.484(5) 1.0661(15) 0.1170(10) 0.035 Uiso 1 1 d DR . . . .
O18 O 0.3315(4) 0.5057(3) 0.3964(3) 0.0337(11) Uani 1 1 d . . . . .
N8 N 0.0715(4) 1.0279(3) 0.4075(3) 0.0246(11) Uani 1 1 d . . . . .
N5 N 0.5151(4) 0.9414(4) 0.4117(3) 0.0288(12) Uani 1 1 d . . . . .
O17 O 0.4701(4) 0.5118(3) 0.4032(3) 0.0378(11) Uani 1 1 d . . . . .
O13 O 0.5563(3) 0.6366(3) 0.2835(3) 0.0346(11) Uani 1 1 d . . . . .
O19 O 0.4447(3) 0.6650(3) 0.1824(2) 0.0302(10) Uani 1 1 d . . . . .
O22 O 0.2002(4) 0.7423(3) 0.1295(3) 0.0436(13) Uani 1 1 d D . . . .
H22 H 0.1437(16) 0.752(3) 0.152(3) 0.065 Uiso 1 1 d DR . . . .
O24 O 0.1544(4) 0.5521(3) 0.4539(3) 0.0479(14) Uani 1 1 d . . . . .
H24A H 0.204937 0.526406 0.437719 0.072 Uiso 1 1 calc DGR . . . .
N1 N 0.3669(3) 0.8952(3) -0.0040(3) 0.0209(10) Uani 1 1 d . . . . .
N7 N 0.1501(3) 1.0646(3) 0.3986(3) 0.0217(10) Uani 1 1 d . . . . .
N2 N 0.4610(3) 0.8966(3) -0.0186(2) 0.0163(9) Uani 1 1 d . . . . .
C36 C 0.0930(4) 0.9510(4) 0.3928(3) 0.0200(11) Uani 1 1 d . . . . .
N6 N 0.4257(4) 0.9361(3) 0.4537(3) 0.0238(11) Uani 1 1 d . . . . .
N4 N 0.6047(3) 0.9281(3) 0.2294(3) 0.0203(10) Uani 1 1 d . . . . .
N9 N 0.0417(3) 0.8327(3) 0.3732(3) 0.0201(10) Uani 1 1 d . . . . .
C38 C -0.0755(4) 0.9359(4) 0.4304(3) 0.0251(13) Uani 1 1 d . . . . .
H38 H -0.090764 0.986501 0.448899 0.030 Uiso 1 1 calc R . . . .
N10 N 0.0964(4) 0.6880(3) 0.3203(3) 0.0247(11) Uani 1 1 d . . . . .
N12 N 0.3506(4) 0.5028(3) 0.2331(3) 0.0328(13) Uani 1 1 d . . . . .
C49 C 0.2251(5) 0.5948(4) 0.2701(4) 0.0288(14) Uani 1 1 d . . . . .
C21 C 0.5188(4) 0.9420(4) 0.3454(3) 0.0207(12) Uani 1 1 d . . . . .
C37 C 0.0168(4) 0.9055(4) 0.3990(3) 0.0217(12) Uani 1 1 d . . . . .
C39 C -0.1420(4) 0.8894(5) 0.4329(4) 0.0296(14) Uani 1 1 d . . . . .
H39 H -0.202785 0.908617 0.452917 0.035 Uiso 1 1 calc R . . . .
O9 O 0.0363(3) 0.8293(4) 0.1970(3) 0.0418(12) Uani 1 1 d . . . . .
C24 C 0.3647(7) 0.8586(5) 0.6440(4) 0.046(2) Uani 1 1 d . . . . .
H24 H 0.422464 0.856396 0.651186 0.055 Uiso 1 1 calc R . . . .
N11 N 0.2557(4) 0.5255(4) 0.2422(3) 0.0325(13) Uani 1 1 d . . . . .
C9 C 0.5825(4) 0.8951(4) 0.0407(3) 0.0198(11) Uani 1 1 d . . . . .
C60 C 0.2627(4) 1.0209(4) 0.2157(3) 0.0162(11) Uani 1 1 d . . . . .
C8 C 0.4844(4) 0.8970(4) 0.0395(3) 0.0217(12) Uani 1 1 d . . . . .
C10 C 0.6566(4) 0.8858(4) -0.0186(3) 0.0244(13) Uani 1 1 d . . . . .
H10 H 0.647556 0.882516 -0.062671 0.029 Uiso 1 1 calc R . . . .
C64 C 0.3777(4) 0.7474(4) 0.3871(3) 0.0198(11) Uani 1 1 d . . . . .
C7 C 0.3355(4) 0.8996(4) -0.0593(3) 0.0220(12) Uani 1 1 d . . . . .
H7 H 0.376851 0.903416 -0.103429 0.026 Uiso 1 1 calc R . . . .
C40 C -0.1179(4) 0.8130(4) 0.4053(4) 0.0279(13) Uani 1 1 d . . . . .
C1 C 0.1687(4) 0.9103(4) 0.0039(3) 0.0232(12) Uani 1 1 d . . . . .
C27 C 0.1907(6) 0.8674(5) 0.6240(3) 0.0361(16) Uani 1 1 d . . . . .
H27 H 0.131961 0.870199 0.618586 0.043 Uiso 1 1 calc R . . . .
C12 C 0.7555(4) 0.8886(4) 0.0570(4) 0.0278(13) Uani 1 1 d . . . . .
C20 C 0.6087(4) 0.9379(4) 0.2936(4) 0.0263(13) Uani 1 1 d . . . . .
C34 C 0.1942(6) 1.2022(4) 0.3927(4) 0.0346(16) Uani 1 1 d . . . . .
C66 C 0.3919(5) 0.4893(5) 0.4318(4) 0.0374(16) Uani 1 1 d . . . . .
C14 C 0.6833(4) 0.9137(4) 0.1807(3) 0.0260(13) Uani 1 1 d . . . . .
C28 C 0.2589(5) 0.8989(4) 0.5652(3) 0.0287(14) Uani 1 1 d . . . . .
C33 C 0.1576(7) 1.2892(5) 0.3951(4) 0.048(2) Uani 1 1 d . . . . .
H33 H 0.094715 1.306135 0.404672 0.057 Uiso 1 1 calc R . . . .
C41 C -0.0237(4) 0.7881(4) 0.3751(4) 0.0250(13) Uani 1 1 d . . . . .
C13 C 0.6761(4) 0.9012(4) 0.1122(3) 0.0229(12) Uani 1 1 d . . . . .
C23 C 0.3481(5) 0.8929(4) 0.5759(4) 0.0318(15) Uani 1 1 d . . . . .
C29 C 0.2894(5) 1.1757(4) 0.3797(4) 0.0322(15) Uani 1 1 d . . . . .
C6 C 0.2416(4) 0.8990(4) -0.0584(3) 0.0254(13) Uani 1 1 d . . . . .
C59 C 0.2069(5) 1.1062(4) 0.2254(4) 0.0302(15) Uani 1 1 d . . . . .
H59A H 0.148066 1.099018 0.256104 0.045 Uiso 1 1 calc GR . . . .
H59B H 0.199490 1.137324 0.180001 0.045 Uiso 1 1 calc GR . . . .
H59C H 0.237388 1.136881 0.246405 0.045 Uiso 1 1 calc GR . . . .
C30 C 0.3453(7) 1.2376(5) 0.3690(5) 0.048(2) Uani 1 1 d . . . . .
H30 H 0.408209 1.221467 0.360958 0.058 Uiso 1 1 calc R . . . .
C48 C 0.1249(5) 0.6182(4) 0.2907(4) 0.0286(14) Uani 1 1 d . . . . .
C4 C 0.1357(5) 0.8890(5) -0.1265(4) 0.0355(16) Uani 1 1 d . . . . .
H4 H 0.124115 0.881540 -0.168600 0.043 Uiso 1 1 calc R . . . .
C55 C 0.6379(7) 0.3836(6) 0.1768(5) 0.055(2) Uani 1 1 d . . . . .
H55 H 0.685206 0.395211 0.192679 0.067 Uiso 1 1 calc R . . . .
C11 C 0.7427(4) 0.8818(5) -0.0091(3) 0.0286(14) Uani 1 1 d . . . . .
H11 H 0.793093 0.874467 -0.047087 0.034 Uiso 1 1 calc R . . . .
C44 C -0.1543(5) 0.6913(5) 0.3722(4) 0.0413(18) Uani 1 1 d . . . . .
H44 H -0.197591 0.659946 0.370063 0.050 Uiso 1 1 calc R . . . .
C56 C 0.5461(7) 0.4227(5) 0.2034(4) 0.048(2) Uani 1 1 d . . . . .
C35 C 0.1293(5) 1.1444(4) 0.4026(4) 0.0293(14) Uani 1 1 d . . . . .
H35 H 0.067594 1.167050 0.412613 0.035 Uiso 1 1 calc R . . . .
C62 C 0.5807(5) 0.7067(5) 0.2612(5) 0.045(2) Uani 1 1 d . . . . .
C42 C 0.0046(4) 0.7111(4) 0.3447(3) 0.0250(13) Uani 1 1 d . . . . .
C19 C 0.6916(4) 0.9377(5) 0.3109(4) 0.0296(14) Uani 1 1 d . . . . .
H19 H 0.691905 0.947292 0.355717 0.036 Uiso 1 1 calc R . . . .
C68 C 0.4383(5) 0.6766(4) 0.1180(4) 0.0334(15) Uani 1 1 d . . . . .
C58 C 0.0761(5) 0.8787(5) 0.2139(4) 0.0362(16) Uani 1 1 d . . . . .
C2 C 0.0805(4) 0.9105(5) -0.0040(4) 0.0337(16) Uani 1 1 d . . . . .
H2 H 0.031101 0.918164 0.034538 0.040 Uiso 1 1 calc R . . . .
C5 C 0.2232(5) 0.8896(5) -0.1219(4) 0.0308(14) Uani 1 1 d . . . . .
H5 H 0.271093 0.883757 -0.161782 0.037 Uiso 1 1 calc R . . . .
C16 C 0.8489(4) 0.8936(5) 0.1379(4) 0.0335(16) Uani 1 1 d . . . . .
H16 H 0.906451 0.889160 0.146261 0.040 Uiso 1 1 calc R . . . .
C57 C 0.0350(5) 0.9709(6) 0.2169(5) 0.049(2) Uani 1 1 d . . . . .
H57A H 0.034704 0.984646 0.262080 0.073 Uiso 1 1 calc GR . . . .
H57B H -0.026407 0.980132 0.211190 0.073 Uiso 1 1 calc GR . . . .
H57C H 0.070729 1.006335 0.179400 0.073 Uiso 1 1 calc GR . . . .
C18 C 0.7713(4) 0.9235(5) 0.2614(4) 0.0343(16) Uani 1 1 d . . . . .
H18 H 0.826619 0.922524 0.272548 0.041 Uiso 1 1 calc R . . . .
C22 C 0.4262(5) 0.9143(4) 0.5196(4) 0.0296(14) Uani 1 1 d . . . . .
H22A H 0.480754 0.912053 0.532370 0.035 Uiso 1 1 calc R . . . .
C52 C 0.4995(8) 0.3475(6) 0.1264(5) 0.064(3) Uani 1 1 d . . . . .
H52 H 0.453608 0.333880 0.110039 0.077 Uiso 1 1 calc R . . . .
C63 C 0.4493(5) 0.7301(4) 0.4270(4) 0.0330(15) Uani 1 1 d . . . . .
H63A H 0.423813 0.745960 0.473436 0.049 Uiso 1 1 calc GR . . . .
H63B H 0.497294 0.762358 0.401970 0.049 Uiso 1 1 calc GR . . . .
H63C H 0.473590 0.670718 0.431772 0.049 Uiso 1 1 calc GR . . . .
C46 C -0.0288(6) 0.5908(5) 0.3083(5) 0.048(2) Uani 1 1 d . . . . .
H46 H -0.069832 0.558646 0.303561 0.057 Uiso 1 1 calc R . . . .
C15 C 0.7700(4) 0.9102(5) 0.1932(4) 0.0311(14) Uani 1 1 d . . . . .
C50 C 0.3832(6) 0.4418(5) 0.1957(4) 0.0440(19) Uani 1 1 d . . . . .
H50 H 0.341542 0.420205 0.180182 0.053 Uiso 1 1 calc R . . . .
C43 C -0.0602(5) 0.6640(5) 0.3418(4) 0.0327(15) Uani 1 1 d . . . . .
C45 C -0.1823(5) 0.7615(5) 0.4041(4) 0.0329(15) Uani 1 1 d . . . . .
H45 H -0.243766 0.776135 0.425331 0.040 Uiso 1 1 calc R . . . .
C51 C 0.4768(7) 0.4047(5) 0.1759(4) 0.048(2) Uani 1 1 d . . . . .
C53 C 0.5893(9) 0.3113(7) 0.1020(6) 0.074(4) Uani 1 1 d . . . . .
H53 H 0.603763 0.275342 0.068188 0.089 Uiso 1 1 calc R . . . .
C26 C 0.2109(7) 0.8330(5) 0.6888(4) 0.046(2) Uani 1 1 d . . . . .
H26 H 0.165175 0.812422 0.725879 0.055 Uiso 1 1 calc R . . . .
C25 C 0.2964(7) 0.8278(6) 0.7009(4) 0.048(2) Uani 1 1 d . . . . .
H25A H 0.308371 0.804653 0.745232 0.058 Uiso 1 1 calc R . . . .
C71 C 0.1599(7) 0.7370(6) 0.5077(4) 0.053(2) Uani 1 1 d D . . . .
H71A H 0.180381 0.790727 0.500197 0.079 Uiso 1 1 calc GR . . . .
H71B H 0.194745 0.695628 0.536253 0.079 Uiso 1 1 calc GR . . . .
H71C H 0.096436 0.742398 0.531830 0.079 Uiso 1 1 calc GR . . . .
C17 C 0.8415(4) 0.8840(5) 0.0729(4) 0.0348(16) Uani 1 1 d . . . . .
H17 H 0.894422 0.874066 0.037557 0.042 Uiso 1 1 calc R . . . .
C47 C 0.0634(6) 0.5682(5) 0.2831(5) 0.0418(18) Uani 1 1 d . . . . .
H47 H 0.085576 0.520215 0.261186 0.050 Uiso 1 1 calc R . . . .
C32 C 0.2138(9) 1.3481(5) 0.3837(6) 0.064(3) Uani 1 1 d . . . . .
H32 H 0.189199 1.404969 0.384880 0.077 Uiso 1 1 calc R . . . .
C70 C 0.2044(7) 0.6852(7) 0.0828(6) 0.063(3) Uani 1 1 d D . . . .
H70A H 0.170791 0.712643 0.047669 0.095 Uiso 1 1 calc GR . . . .
H70B H 0.178306 0.636199 0.109483 0.095 Uiso 1 1 calc GR . . . .
H70C H 0.266910 0.668016 0.059650 0.095 Uiso 1 1 calc GR . . . .
C72 C 0.1150(8) 0.5070(6) 0.5186(6) 0.064(3) Uani 1 1 d . . . . .
H72A H 0.116139 0.449617 0.512833 0.096 Uiso 1 1 calc GR . . . .
H72B H 0.053000 0.533067 0.534522 0.096 Uiso 1 1 calc GR . . . .
H72C H 0.148699 0.507066 0.553130 0.096 Uiso 1 1 calc GR . . . .
C3 C 0.0650(5) 0.8997(6) -0.0667(4) 0.0421(18) Uani 1 1 d . . . . .
H3 H 0.005555 0.899486 -0.069231 0.051 Uiso 1 1 calc R . . . .
C69 C 0.4461(6) 1.1224(6) 0.1988(5) 0.049(2) Uani 1 1 d D . . . .
H69A H 0.413528 1.171720 0.175449 0.074 Uiso 1 1 calc GR . . . .
H69B H 0.504807 1.133876 0.199138 0.074 Uiso 1 1 calc GR . . . .
H69C H 0.412100 1.108431 0.246885 0.074 Uiso 1 1 calc GR . . . .
C65 C 0.3708(7) 0.4442(7) 0.5067(5) 0.066(3) Uani 1 1 d . . . . .
H65A H 0.417270 0.447853 0.529669 0.098 Uiso 1 1 calc GR . . . .
H65B H 0.368767 0.385725 0.506572 0.098 Uiso 1 1 calc GR . . . .
H65C H 0.312674 0.470157 0.531943 0.098 Uiso 1 1 calc GR . . . .
C31 C 0.3083(8) 1.3229(5) 0.3700(6) 0.062(3) Uani 1 1 d . . . . .
H31 H 0.346643 1.363120 0.361663 0.075 Uiso 1 1 calc R . . . .
C54 C 0.6566(8) 0.3289(6) 0.1279(5) 0.069(3) Uani 1 1 d . . . . .
H54 H 0.716511 0.303294 0.112154 0.083 Uiso 1 1 calc R . . . .
C67 C 0.4969(8) 0.6152(6) 0.0705(5) 0.068(3) Uani 1 1 d . . . . .
H67A H 0.458744 0.583953 0.057426 0.102 Uiso 1 1 calc GR . . . .
H67B H 0.538123 0.576487 0.095369 0.102 Uiso 1 1 calc GR . . . .
H67C H 0.531092 0.645750 0.028404 0.102 Uiso 1 1 calc GR . . . .
C61 C 0.6763(8) 0.7118(8) 0.2622(12) 0.135(8) Uani 1 1 d . . . . .
H61A H 0.711901 0.722316 0.214228 0.203 Uiso 1 1 calc GR . . . .
H61B H 0.702532 0.659110 0.286164 0.203 Uiso 1 1 calc GR . . . .
H61C H 0.675838 0.757066 0.286853 0.203 Uiso 1 1 calc GR . . . .
H25 H 0.375(4) 0.773(3) 0.220(3) 0.013(16) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy4 Dy1 3.8304(5) . ?
Dy4 O25 2.386(4) . ?
Dy4 O6 2.392(4) . ?
Dy4 O7 2.426(4) . ?
Dy4 O16 2.560(4) . ?
Dy4 O23 2.354(4) . ?
Dy4 O10 2.308(4) . ?
Dy4 O15 2.621(4) . ?
Dy4 N9 2.599(5) . ?
Dy4 N10 2.594(5) . ?
Dy4 C64 3.005(6) . ?
Dy1 Dy2 3.7677(4) . ?
Dy1 O2 2.328(4) . ?
Dy1 O25 2.364(4) . ?
Dy1 O11 2.367(4) . ?
Dy1 O20 2.332(4) . ?
Dy1 O1 2.213(4) . ?
Dy1 O10 2.407(4) . ?
Dy1 O22 2.450(5) . ?
Dy1 N1 2.512(5) . ?
Dy2 Dy3 3.9097(4) . ?
Dy2 O2 2.314(4) . ?
Dy2 O12 2.410(4) . ?
Dy2 O25 2.429(4) . ?
Dy2 O3 2.302(4) . ?
Dy2 O14 2.258(4) . ?
Dy2 N3 2.550(5) . ?
Dy2 O21 2.393(4) . ?
Dy2 N4 2.531(5) . ?
Dy3 O12 2.481(4) . ?
Dy3 O6 2.400(4) . ?
Dy3 O3 2.369(4) . ?
Dy3 O4 2.208(4) . ?
Dy3 O16 2.389(4) . ?
Dy3 O5 2.197(4) . ?
Dy3 N7 2.491(5) . ?
Dy3 N6 2.522(5) . ?
Dy5 O8 2.197(5) . ?
Dy5 O7 2.414(4) . ?
Dy5 O15 2.350(4) . ?
Dy5 O18 2.429(5) . ?
Dy5 O17 2.450(5) . ?
Dy5 O13 2.332(5) . ?
Dy5 O19 2.309(5) . ?
Dy5 N12 2.468(6) . ?
Dy5 C66 2.818(8) . ?
O2 C8 1.316(7) . ?
O12 C60 1.272(7) . ?
O25 H25 0.81(2) . ?
O6 C36 1.305(7) . ?
O3 C21 1.324(7) . ?
O8 C56 1.309(9) . ?
O4 C28 1.294(8) . ?
O11 C60 1.254(7) . ?
O7 C49 1.295(8) . ?
O16 C64 1.261(7) . ?
O5 C29 1.313(8) . ?
O14 C62 1.259(9) . ?
O20 C68 1.244(8) . ?
O1 C1 1.296(7) . ?
O23 H23 0.850(9) . ?
O23 C71 1.393(9) . ?
N3 C9 1.313(8) . ?
N3 C13 1.351(7) . ?
O10 C58 1.342(8) . ?
O15 C64 1.275(7) . ?
O21 H21 0.853(10) . ?
O21 C69 1.474(9) . ?
O18 C66 1.264(9) . ?
N8 N7 1.409(7) . ?
N8 C36 1.301(8) . ?
N5 N6 1.413(8) . ?
N5 C21 1.291(8) . ?
O17 C66 1.277(9) . ?
O13 C62 1.234(10) . ?
O19 C68 1.273(9) . ?
O22 H22 0.862(10) . ?
O22 C70 1.416(11) . ?
O24 H24A 0.8200 . ?
O24 C72 1.387(11) . ?
N1 N2 1.404(6) . ?
N1 C7 1.291(8) . ?
N7 C35 1.289(8) . ?
N2 C8 1.292(8) . ?
C36 C37 1.476(8) . ?
N6 C22 1.279(8) . ?
N4 C20 1.327(8) . ?
N4 C14 1.342(8) . ?
N9 C37 1.331(8) . ?
N9 C41 1.343(8) . ?
C38 H38 0.9300 . ?
C38 C37 1.421(8) . ?
C38 C39 1.374(9) . ?
N10 C48 1.325(8) . ?
N10 C42 1.365(8) . ?
N12 N11 1.403(9) . ?
N12 C50 1.297(9) . ?
C49 N11 1.303(8) . ?
C49 C48 1.477(10) . ?
C21 C20 1.484(9) . ?
C39 H39 0.9300 . ?
C39 C40 1.401(10) . ?
O9 C58 1.244(9) . ?
C24 H24 0.9300 . ?
C24 C23 1.416(10) . ?
C24 C25 1.405(12) . ?
C9 C8 1.510(7) . ?
C9 C10 1.408(8) . ?
C60 C59 1.498(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.374(8) . ?
C64 C63 1.471(8) . ?
C7 H7 0.9300 . ?
C7 C6 1.441(8) . ?
C40 C41 1.421(9) . ?
C40 C45 1.430(9) . ?
C1 C6 1.441(9) . ?
C1 C2 1.406(8) . ?
C27 H27 0.9300 . ?
C27 C28 1.427(10) . ?
C27 C26 1.377(11) . ?
C12 C13 1.414(9) . ?
C12 C11 1.399(10) . ?
C12 C17 1.424(9) . ?
C20 C19 1.403(9) . ?
C34 C33 1.422(10) . ?
C34 C29 1.410(11) . ?
C34 C35 1.455(10) . ?
C66 C65 1.493(11) . ?
C14 C13 1.442(9) . ?
C14 C15 1.408(9) . ?
C28 C23 1.425(11) . ?
C33 H33 0.9300 . ?
C33 C32 1.363(14) . ?
C41 C42 1.438(9) . ?
C23 C22 1.449(10) . ?
C29 C30 1.402(10) . ?
C6 C5 1.397(9) . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C30 H30 0.9300 . ?
C30 C31 1.393(12) . ?
C48 C47 1.419(10) . ?
C4 H4 0.9300 . ?
C4 C5 1.377(9) . ?
C4 C3 1.388(10) . ?
C55 H55 0.9300 . ?
C55 C56 1.433(12) . ?
C55 C54 1.379(13) . ?
C11 H11 0.9300 . ?
C44 H44 0.9300 . ?
C44 C43 1.428(11) . ?
C44 C45 1.355(11) . ?
C56 C51 1.419(14) . ?
C35 H35 0.9300 . ?
C62 C61 1.494(12) . ?
C42 C43 1.394(9) . ?
C19 H19 0.9300 . ?
C19 C18 1.361(10) . ?
C68 C67 1.502(10) . ?
C58 C57 1.514(12) . ?
C2 H2 0.9300 . ?
C2 C3 1.370(10) . ?
C5 H5 0.9300 . ?
C16 H16 0.9300 . ?
C16 C15 1.421(10) . ?
C16 C17 1.359(11) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C18 H18 0.9300 . ?
C18 C15 1.412(10) . ?
C22 H22A 0.9300 . ?
C52 H52 0.9300 . ?
C52 C51 1.413(11) . ?
C52 C53 1.386(15) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C46 H46 0.9300 . ?
C46 C43 1.417(11) . ?
C46 C47 1.373(12) . ?
C50 H50 0.9300 . ?
C50 C51 1.428(12) . ?
C45 H45 0.9300 . ?
C53 H53 0.9300 . ?
C53 C54 1.370(18) . ?
C26 H26 0.9300 . ?
C26 C25 1.382(14) . ?
C25 H25A 0.9300 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C17 H17 0.9300 . ?
C47 H47 0.9300 . ?
C32 H32 0.9300 . ?
C32 C31 1.398(16) . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C3 H3 0.9300 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C31 H31 0.9300 . ?
C54 H54 0.9300 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?

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
O25 Dy4 Dy1 36.06(9) . . ?
O25 Dy4 O6 98.81(13) . . ?
O25 Dy4 O7 79.66(14) . . ?
O25 Dy4 O16 74.45(13) . . ?
O25 Dy4 O15 72.76(13) . . ?
O25 Dy4 N9 140.75(14) . . ?
O25 Dy4 N10 125.36(15) . . ?
O25 Dy4 C64 73.56(15) . . ?
O6 Dy4 Dy1 102.48(10) . . ?
O6 Dy4 O7 171.09(14) . . ?
O6 Dy4 O16 61.74(13) . . ?
O6 Dy4 O15 110.63(13) . . ?
O6 Dy4 N9 62.69(14) . . ?
O6 Dy4 N10 124.31(15) . . ?
O6 Dy4 C64 85.70(15) . . ?
O7 Dy4 Dy1 81.53(11) . . ?
O7 Dy4 O16 109.54(14) . . ?
O7 Dy4 O15 60.49(14) . . ?
O7 Dy4 N9 123.67(15) . . ?
O7 Dy4 N10 62.30(16) . . ?
O7 Dy4 C64 85.45(16) . . ?
O16 Dy4 Dy1 107.64(9) . . ?
O16 Dy4 O15 49.47(12) . . ?
O16 Dy4 N9 117.30(14) . . ?
O16 Dy4 N10 152.50(15) . . ?
O16 Dy4 C64 24.55(14) . . ?
O23 Dy4 Dy1 170.76(10) . . ?
O23 Dy4 O25 144.80(15) . . ?
O23 Dy4 O6 86.64(14) . . ?
O23 Dy4 O7 89.66(15) . . ?
O23 Dy4 O16 77.88(14) . . ?
O23 Dy4 O15 72.80(15) . . ?
O23 Dy4 N9 72.19(16) . . ?
O23 Dy4 N10 75.92(16) . . ?
O23 Dy4 C64 72.22(16) . . ?
O10 Dy4 Dy1 36.55(10) . . ?
O10 Dy4 O25 70.97(14) . . ?
O10 Dy4 O6 88.24(15) . . ?
O10 Dy4 O7 99.45(16) . . ?
O10 Dy4 O16 129.31(14) . . ?
O10 Dy4 O23 144.20(15) . . ?
O10 Dy4 O15 141.20(14) . . ?
O10 Dy4 N9 74.01(15) . . ?
O10 Dy4 N10 77.97(16) . . ?
O10 Dy4 C64 142.58(15) . . ?
O15 Dy4 Dy1 104.85(9) . . ?
O15 Dy4 C64 25.02(14) . . ?
N9 Dy4 Dy1 110.47(11) . . ?
N9 Dy4 O15 144.67(15) . . ?
N9 Dy4 C64 133.08(16) . . ?
N10 Dy4 Dy1 97.35(12) . . ?
N10 Dy4 O15 113.52(15) . . ?
N10 Dy4 N9 61.63(16) . . ?
N10 Dy4 C64 134.31(16) . . ?
C64 Dy4 Dy1 109.60(11) . . ?
Dy2 Dy1 Dy4 71.495(9) . . ?
O2 Dy1 Dy4 106.29(10) . . ?
O2 Dy1 Dy2 35.61(10) . . ?
O2 Dy1 O25 70.84(14) . . ?
O2 Dy1 O11 72.44(14) . . ?
O2 Dy1 O20 75.97(16) . . ?
O2 Dy1 O10 132.12(14) . . ?
O2 Dy1 O22 146.45(16) . . ?
O2 Dy1 N1 62.84(15) . . ?
O25 Dy1 Dy4 36.46(9) . . ?
O25 Dy1 Dy2 38.79(9) . . ?
O25 Dy1 O11 79.27(13) . . ?
O25 Dy1 O10 69.68(13) . . ?
O25 Dy1 O22 102.23(17) . . ?
O25 Dy1 N1 131.17(14) . . ?
O11 Dy1 Dy4 81.95(10) . . ?
O11 Dy1 Dy2 60.28(10) . . ?
O11 Dy1 O10 74.56(15) . . ?
O11 Dy1 O22 140.00(16) . . ?
O11 Dy1 N1 99.96(15) . . ?
O20 Dy1 Dy4 98.27(12) . . ?
O20 Dy1 Dy2 88.32(11) . . ?
O20 Dy1 O25 81.76(14) . . ?
O20 Dy1 O11 147.04(15) . . ?
O20 Dy1 O10 122.92(16) . . ?
O20 Dy1 O22 70.52(17) . . ?
O20 Dy1 N1 73.19(16) . . ?
O1 Dy1 Dy4 120.99(11) . . ?
O1 Dy1 Dy2 140.55(12) . . ?
O1 Dy1 O2 122.64(16) . . ?
O1 Dy1 O25 153.24(14) . . ?
O1 Dy1 O11 83.36(15) . . ?
O1 Dy1 O20 122.49(16) . . ?
O1 Dy1 O10 86.20(15) . . ?
O1 Dy1 O22 78.55(18) . . ?
O1 Dy1 N1 71.79(16) . . ?
O10 Dy1 Dy4 34.82(10) . . ?
O10 Dy1 Dy2 97.32(10) . . ?
O10 Dy1 O22 68.94(18) . . ?
O10 Dy1 N1 157.86(15) . . ?
O22 Dy1 Dy4 77.49(15) . . ?
O22 Dy1 Dy2 139.29(14) . . ?
O22 Dy1 N1 107.60(19) . . ?
N1 Dy1 Dy4 167.21(11) . . ?
N1 Dy1 Dy2 98.32(11) . . ?
Dy1 Dy2 Dy3 101.401(10) . . ?
O2 Dy2 Dy1 35.86(9) . . ?
O2 Dy2 Dy3 133.19(9) . . ?
O2 Dy2 O12 97.78(14) . . ?
O2 Dy2 O25 69.92(13) . . ?
O2 Dy2 N3 62.85(14) . . ?
O2 Dy2 O21 82.57(15) . . ?
O2 Dy2 N4 125.72(15) . . ?
O12 Dy2 Dy1 73.61(10) . . ?
O12 Dy2 Dy3 37.56(10) . . ?
O12 Dy2 O25 72.70(13) . . ?
O12 Dy2 N3 143.76(15) . . ?
O12 Dy2 N4 122.39(15) . . ?
O25 Dy2 Dy1 37.57(9) . . ?
O25 Dy2 Dy3 80.40(9) . . ?
O25 Dy2 N3 121.32(14) . . ?
O25 Dy2 N4 150.79(14) . . ?
O3 Dy2 Dy1 135.06(10) . . ?
O3 Dy2 Dy3 33.73(10) . . ?
O3 Dy2 O2 163.40(15) . . ?
O3 Dy2 O12 66.50(14) . . ?
O3 Dy2 O25 108.23(14) . . ?
O3 Dy2 N3 126.78(15) . . ?
O3 Dy2 O21 87.10(15) . . ?
O3 Dy2 N4 64.04(15) . . ?
O14 Dy2 Dy1 103.66(12) . . ?
O14 Dy2 Dy3 102.22(12) . . ?
O14 Dy2 O2 105.90(16) . . ?
O14 Dy2 O12 132.97(16) . . ?
O14 Dy2 O25 78.15(15) . . ?
O14 Dy2 O3 89.47(16) . . ?
O14 Dy2 N3 83.14(17) . . ?
O14 Dy2 O21 150.25(16) . . ?
O14 Dy2 N4 73.78(16) . . ?
N3 Dy2 Dy1 97.66(11) . . ?
N3 Dy2 Dy3 158.27(11) . . ?
O21 Dy2 Dy1 99.53(10) . . ?
O21 Dy2 Dy3 91.07(10) . . ?
O21 Dy2 O12 71.63(14) . . ?
O21 Dy2 O25 130.80(14) . . ?
O21 Dy2 N3 75.47(15) . . ?
O21 Dy2 N4 78.18(15) . . ?
N4 Dy2 Dy1 160.88(12) . . ?
N4 Dy2 Dy3 97.63(12) . . ?
N4 Dy2 N3 63.29(16) . . ?
O12 Dy3 Dy2 36.31(9) . . ?
O12 Dy3 N7 87.54(15) . . ?
O12 Dy3 N6 127.81(15) . . ?
O6 Dy3 Dy2 91.23(9) . . ?
O6 Dy3 O12 72.12(13) . . ?
O6 Dy3 N7 64.54(15) . . ?
O6 Dy3 N6 143.93(15) . . ?
O3 Dy3 Dy2 32.66(9) . . ?
O3 Dy3 O12 64.38(13) . . ?
O3 Dy3 O6 122.25(13) . . ?
O3 Dy3 O16 74.98(14) . . ?
O3 Dy3 N7 142.96(15) . . ?
O3 Dy3 N6 63.57(15) . . ?
O4 Dy3 Dy2 149.19(11) . . ?
O4 Dy3 O12 157.10(15) . . ?
O4 Dy3 O6 84.99(16) . . ?
O4 Dy3 O3 132.67(15) . . ?
O4 Dy3 O16 86.66(15) . . ?
O4 Dy3 N7 81.83(16) . . ?
O4 Dy3 N6 72.20(17) . . ?
O16 Dy3 Dy2 64.43(10) . . ?
O16 Dy3 O12 84.07(14) . . ?
O16 Dy3 O6 64.21(14) . . ?
O16 Dy3 N7 128.17(15) . . ?
O16 Dy3 N6 86.41(15) . . ?
O5 Dy3 Dy2 98.61(12) . . ?
O5 Dy3 O12 89.67(16) . . ?
O5 Dy3 O6 133.41(17) . . ?
O5 Dy3 O3 83.25(16) . . ?
O5 Dy3 O4 106.15(17) . . ?
O5 Dy3 O16 157.97(17) . . ?
O5 Dy3 N7 72.38(18) . . ?
O5 Dy3 N6 80.80(18) . . ?
N7 Dy3 Dy2 123.81(12) . . ?
N7 Dy3 N6 135.47(16) . . ?
N6 Dy3 Dy2 94.43(12) . . ?
O8 Dy5 O7 137.61(18) . . ?
O8 Dy5 O15 157.74(19) . . ?
O8 Dy5 O18 103.4(2) . . ?
O8 Dy5 O17 82.73(19) . . ?
O8 Dy5 O13 82.0(2) . . ?
O8 Dy5 O19 92.52(19) . . ?
O8 Dy5 N12 72.9(2) . . ?
O8 Dy5 C66 93.8(2) . . ?
O7 Dy5 O18 76.01(16) . . ?
O7 Dy5 O17 123.62(17) . . ?
O7 Dy5 N12 65.11(16) . . ?
O7 Dy5 C66 99.73(19) . . ?
O15 Dy5 O7 64.64(14) . . ?
O15 Dy5 O18 79.45(15) . . ?
O15 Dy5 O17 81.49(15) . . ?
O15 Dy5 N12 128.94(17) . . ?
O15 Dy5 C66 78.91(18) . . ?
O18 Dy5 O17 53.49(17) . . ?
O18 Dy5 N12 80.49(19) . . ?
O18 Dy5 C66 26.57(19) . . ?
O17 Dy5 N12 120.61(18) . . ?
O17 Dy5 C66 26.9(2) . . ?
O13 Dy5 O7 132.13(15) . . ?
O13 Dy5 O15 79.31(16) . . ?
O13 Dy5 O18 128.60(18) . . ?
O13 Dy5 O17 77.38(18) . . ?
O13 Dy5 N12 145.9(2) . . ?
O13 Dy5 C66 103.2(2) . . ?
O19 Dy5 O7 76.21(16) . . ?
O19 Dy5 O15 94.80(15) . . ?
O19 Dy5 O18 151.37(17) . . ?
O19 Dy5 O17 153.97(18) . . ?
O19 Dy5 O13 76.62(18) . . ?
O19 Dy5 N12 81.69(19) . . ?
O19 Dy5 C66 173.59(19) . . ?
N12 Dy5 C66 101.2(2) . . ?
Dy2 O2 Dy1 108.53(15) . . ?
C8 O2 Dy1 120.4(4) . . ?
C8 O2 Dy2 129.6(3) . . ?
Dy2 O12 Dy3 106.13(15) . . ?
C60 O12 Dy2 115.7(3) . . ?
C60 O12 Dy3 138.1(4) . . ?
Dy4 O25 Dy2 134.40(17) . . ?
Dy4 O25 H25 110(5) . . ?
Dy1 O25 Dy4 107.48(15) . . ?
Dy1 O25 Dy2 103.64(14) . . ?
Dy1 O25 H25 101(5) . . ?
Dy2 O25 H25 96(5) . . ?
Dy4 O6 Dy3 116.81(15) . . ?
C36 O6 Dy4 126.8(4) . . ?
C36 O6 Dy3 116.3(3) . . ?
Dy2 O3 Dy3 113.62(16) . . ?
C21 O3 Dy2 126.1(4) . . ?
C21 O3 Dy3 119.6(4) . . ?
C56 O8 Dy5 142.3(5) . . ?
C28 O4 Dy3 143.7(4) . . ?
C60 O11 Dy1 141.3(4) . . ?
Dy5 O7 Dy4 118.24(18) . . ?
C49 O7 Dy4 125.9(4) . . ?
C49 O7 Dy5 115.2(4) . . ?
Dy3 O16 Dy4 111.09(15) . . ?
C64 O16 Dy4 97.9(3) . . ?
C64 O16 Dy3 150.5(4) . . ?
C29 O5 Dy3 144.0(5) . . ?
C62 O14 Dy2 171.4(5) . . ?
C68 O20 Dy1 139.7(4) . . ?
C1 O1 Dy1 131.1(4) . . ?
Dy4 O23 H23 117.9(14) . . ?
C71 O23 Dy4 132.3(4) . . ?
C71 O23 H23 109.8(14) . . ?
C9 N3 Dy2 121.1(4) . . ?
C9 N3 C13 118.9(5) . . ?
C13 N3 Dy2 119.7(4) . . ?
Dy4 O10 Dy1 108.63(16) . . ?
C58 O10 Dy4 135.0(4) . . ?
C58 O10 Dy1 115.4(4) . . ?
Dy5 O15 Dy4 113.26(16) . . ?
C64 O15 Dy4 94.6(3) . . ?
C64 O15 Dy5 146.7(4) . . ?
Dy2 O21 H21 122.1(16) . . ?
C69 O21 Dy2 127.2(4) . . ?
C69 O21 H21 107.7(16) . . ?
C66 O18 Dy5 94.1(5) . . ?
C36 N8 N7 111.1(5) . . ?
C21 N5 N6 110.8(5) . . ?
C66 O17 Dy5 92.8(4) . . ?
C62 O13 Dy5 135.7(5) . . ?
C68 O19 Dy5 147.6(5) . . ?
Dy1 O22 H22 113.4(17) . . ?
C70 O22 Dy1 134.0(5) . . ?
C70 O22 H22 105.7(18) . . ?
C72 O24 H24A 109.5 . . ?
N2 N1 Dy1 117.7(3) . . ?
C7 N1 Dy1 126.5(4) . . ?
C7 N1 N2 114.7(5) . . ?
N8 N7 Dy3 116.9(3) . . ?
C35 N7 Dy3 131.6(5) . . ?
C35 N7 N8 111.1(5) . . ?
C8 N2 N1 109.8(4) . . ?
O6 C36 C37 116.0(5) . . ?
N8 C36 O6 127.3(6) . . ?
N8 C36 C37 116.7(5) . . ?
N5 N6 Dy3 117.5(4) . . ?
C22 N6 Dy3 131.8(5) . . ?
C22 N6 N5 110.7(5) . . ?
C20 N4 Dy2 119.2(4) . . ?
C20 N4 C14 118.2(5) . . ?
C14 N4 Dy2 121.1(4) . . ?
C37 N9 Dy4 119.4(4) . . ?
C37 N9 C41 118.2(5) . . ?
C41 N9 Dy4 122.4(4) . . ?
C37 C38 H38 120.5 . . ?
C39 C38 H38 120.5 . . ?
C39 C38 C37 118.9(6) . . ?
C48 N10 Dy4 119.6(4) . . ?
C48 N10 C42 118.1(6) . . ?
C42 N10 Dy4 122.2(4) . . ?
N11 N12 Dy5 117.0(4) . . ?
C50 N12 Dy5 130.9(6) . . ?
C50 N12 N11 112.0(6) . . ?
O7 C49 N11 127.3(7) . . ?
O7 C49 C48 116.2(6) . . ?
N11 C49 C48 116.3(6) . . ?
O3 C21 C20 115.1(5) . . ?
N5 C21 O3 125.7(6) . . ?
N5 C21 C20 119.1(5) . . ?
N9 C37 C36 114.3(5) . . ?
N9 C37 C38 122.5(6) . . ?
C38 C37 C36 123.2(6) . . ?
C38 C39 H39 120.1 . . ?
C38 C39 C40 119.9(6) . . ?
C40 C39 H39 120.1 . . ?
C23 C24 H24 119.0 . . ?
C25 C24 H24 119.0 . . ?
C25 C24 C23 122.0(9) . . ?
C49 N11 N12 112.0(6) . . ?
N3 C9 C8 112.7(5) . . ?
N3 C9 C10 123.3(5) . . ?
C10 C9 C8 124.0(5) . . ?
O12 C60 C59 118.8(5) . . ?
O11 C60 O12 122.6(5) . . ?
O11 C60 C59 118.5(5) . . ?
O2 C8 C9 113.5(5) . . ?
N2 C8 O2 124.8(5) . . ?
N2 C8 C9 121.7(5) . . ?
C9 C10 H10 121.1 . . ?
C11 C10 C9 117.7(6) . . ?
C11 C10 H10 121.1 . . ?
O16 C64 Dy4 57.5(3) . . ?
O16 C64 O15 117.5(5) . . ?
O16 C64 C63 121.1(6) . . ?
O15 C64 Dy4 60.4(3) . . ?
O15 C64 C63 121.4(5) . . ?
C63 C64 Dy4 172.5(5) . . ?
N1 C7 H7 117.3 . . ?
N1 C7 C6 125.4(6) . . ?
C6 C7 H7 117.3 . . ?
C39 C40 C41 116.9(6) . . ?
C39 C40 C45 123.8(6) . . ?
C41 C40 C45 119.3(6) . . ?
O1 C1 C6 122.7(5) . . ?
O1 C1 C2 121.6(6) . . ?
C2 C1 C6 115.7(6) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C26 C27 C28 120.9(8) . . ?
C13 C12 C17 117.9(6) . . ?
C11 C12 C13 116.9(6) . . ?
C11 C12 C17 125.2(6) . . ?
N4 C20 C21 113.2(5) . . ?
N4 C20 C19 122.4(6) . . ?
C19 C20 C21 124.3(6) . . ?
C33 C34 C35 116.9(7) . . ?
C29 C34 C33 120.0(7) . . ?
C29 C34 C35 123.1(6) . . ?
O18 C66 Dy5 59.3(4) . . ?
O18 C66 O17 119.5(7) . . ?
O18 C66 C65 119.5(7) . . ?
O17 C66 Dy5 60.3(4) . . ?
O17 C66 C65 120.9(7) . . ?
C65 C66 Dy5 178.0(7) . . ?
N4 C14 C13 116.5(5) . . ?
N4 C14 C15 123.8(6) . . ?
C15 C14 C13 119.7(6) . . ?
O4 C28 C27 119.8(7) . . ?
O4 C28 C23 122.6(6) . . ?
C23 C28 C27 117.6(6) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 C34 120.7(9) . . ?
C32 C33 H33 119.6 . . ?
N9 C41 C40 123.6(6) . . ?
N9 C41 C42 117.2(5) . . ?
C40 C41 C42 119.2(6) . . ?
N3 C13 C12 122.3(6) . . ?
N3 C13 C14 117.5(5) . . ?
C12 C13 C14 120.2(5) . . ?
C24 C23 C28 119.2(7) . . ?
C24 C23 C22 116.7(7) . . ?
C28 C23 C22 123.9(6) . . ?
O5 C29 C34 122.8(6) . . ?
O5 C29 C30 119.3(7) . . ?
C30 C29 C34 117.9(7) . . ?
C1 C6 C7 122.3(6) . . ?
C5 C6 C7 117.0(6) . . ?
C5 C6 C1 120.7(6) . . ?
C60 C59 H59A 109.5 . . ?
C60 C59 H59B 109.5 . . ?
C60 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C29 C30 H30 119.4 . . ?
C31 C30 C29 121.2(9) . . ?
C31 C30 H30 119.4 . . ?
N10 C48 C49 114.6(6) . . ?
N10 C48 C47 122.2(7) . . ?
C47 C48 C49 123.2(6) . . ?
C5 C4 H4 120.8 . . ?
C5 C4 C3 118.4(6) . . ?
C3 C4 H4 120.8 . . ?
C56 C55 H55 119.7 . . ?
C54 C55 H55 119.7 . . ?
C54 C55 C56 120.6(10) . . ?
C10 C11 C12 120.7(6) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C43 C44 H44 119.1 . . ?
C45 C44 H44 119.1 . . ?
C45 C44 C43 121.9(7) . . ?
O8 C56 C55 120.3(9) . . ?
O8 C56 C51 122.2(7) . . ?
C51 C56 C55 117.4(8) . . ?
N7 C35 C34 125.5(6) . . ?
N7 C35 H35 117.3 . . ?
C34 C35 H35 117.3 . . ?
O14 C62 C61 118.1(8) . . ?
O13 C62 O14 125.3(7) . . ?
O13 C62 C61 116.0(8) . . ?
N10 C42 C41 116.4(5) . . ?
N10 C42 C43 123.5(6) . . ?
C43 C42 C41 120.1(6) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 C20 119.4(6) . . ?
C18 C19 H19 120.3 . . ?
O20 C68 O19 123.8(6) . . ?
O20 C68 C67 117.9(7) . . ?
O19 C68 C67 118.3(6) . . ?
O10 C58 C57 118.2(7) . . ?
O9 C58 O10 120.1(7) . . ?
O9 C58 C57 121.6(7) . . ?
C1 C2 H2 118.9 . . ?
C3 C2 C1 122.2(6) . . ?
C3 C2 H2 118.9 . . ?
C6 C5 H5 119.3 . . ?
C4 C5 C6 121.3(6) . . ?
C4 C5 H5 119.3 . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C17 C16 C15 121.0(6) . . ?
C58 C57 H57A 109.5 . . ?
C58 C57 H57B 109.5 . . ?
C58 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C19 C18 H18 120.1 . . ?
C19 C18 C15 119.9(6) . . ?
C15 C18 H18 120.1 . . ?
N6 C22 C23 124.8(7) . . ?
N6 C22 H22A 117.6 . . ?
C23 C22 H22A 117.6 . . ?
C51 C52 H52 119.6 . . ?
C53 C52 H52 119.6 . . ?
C53 C52 C51 120.8(11) . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C43 C46 H46 120.7 . . ?
C47 C46 H46 120.7 . . ?
C47 C46 C43 118.6(7) . . ?
C14 C15 C16 119.0(6) . . ?
C14 C15 C18 116.2(6) . . ?
C18 C15 C16 124.7(6) . . ?
N12 C50 H50 116.9 . . ?
N12 C50 C51 126.2(8) . . ?
C51 C50 H50 116.9 . . ?
C42 C43 C44 119.1(7) . . ?
C42 C43 C46 117.7(7) . . ?
C46 C43 C44 123.2(7) . . ?
C40 C45 H45 119.8 . . ?
C44 C45 C40 120.3(7) . . ?
C44 C45 H45 119.8 . . ?
C56 C51 C50 123.2(7) . . ?
C52 C51 C56 119.7(9) . . ?
C52 C51 C50 117.0(9) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 C52 119.7(9) . . ?
C54 C53 H53 120.1 . . ?
C27 C26 H26 118.7 . . ?
C27 C26 C25 122.7(8) . . ?
C25 C26 H26 118.7 . . ?
C24 C25 H25A 121.2 . . ?
C26 C25 C24 117.6(8) . . ?
C26 C25 H25A 121.2 . . ?
O23 C71 H71A 109.5 . . ?
O23 C71 H71B 109.5 . . ?
O23 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C12 C17 H17 118.9 . . ?
C16 C17 C12 122.2(6) . . ?
C16 C17 H17 118.9 . . ?
C48 C47 H47 120.1 . . ?
C46 C47 C48 119.8(7) . . ?
C46 C47 H47 120.1 . . ?
C33 C32 H32 120.1 . . ?
C33 C32 C31 119.9(8) . . ?
C31 C32 H32 120.1 . . ?
O22 C70 H70A 109.5 . . ?
O22 C70 H70B 109.5 . . ?
O22 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
O24 C72 H72A 109.5 . . ?
O24 C72 H72B 109.5 . . ?
O24 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C4 C3 H3 119.1 . . ?
C2 C3 C4 121.8(6) . . ?
C2 C3 H3 119.1 . . ?
O21 C69 H69A 109.5 . . ?
O21 C69 H69B 109.5 . . ?
O21 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C66 C65 H65A 109.5 . . ?
C66 C65 H65B 109.5 . . ?
C66 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C30 C31 C32 120.2(9) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C55 C54 H54 119.2 . . ?
C53 C54 C55 121.6(9) . . ?
C53 C54 H54 119.2 . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy4 O6 C36 N8 -167.3(5) . . . . ?
Dy4 O6 C36 C37 11.8(7) . . . . ?
Dy4 O7 C49 N11 172.4(5) . . . . ?
Dy4 O7 C49 C48 -11.8(8) . . . . ?
Dy4 O16 C64 O15 7.1(6) . . . . ?
Dy4 O16 C64 C63 -171.3(5) . . . . ?
Dy4 O10 C58 O9 -83.6(8) . . . . ?
Dy4 O10 C58 C57 99.3(8) . . . . ?
Dy4 O15 C64 O16 -6.8(6) . . . . ?
Dy4 O15 C64 C63 171.5(5) . . . . ?
Dy4 N9 C37 C36 3.2(7) . . . . ?
Dy4 N9 C37 C38 -176.3(4) . . . . ?
Dy4 N9 C41 C40 176.3(5) . . . . ?
Dy4 N9 C41 C42 -3.8(8) . . . . ?
Dy4 N10 C48 C49 7.0(8) . . . . ?
Dy4 N10 C48 C47 -176.2(6) . . . . ?
Dy4 N10 C42 C41 -2.1(7) . . . . ?
Dy4 N10 C42 C43 178.5(5) . . . . ?
Dy1 O2 C8 N2 18.5(8) . . . . ?
Dy1 O2 C8 C9 -160.2(4) . . . . ?
Dy1 O11 C60 O12 28.1(9) . . . . ?
Dy1 O11 C60 C59 -154.4(5) . . . . ?
Dy1 O20 C68 O19 2.2(13) . . . . ?
Dy1 O20 C68 C67 -176.8(7) . . . . ?
Dy1 O1 C1 C6 -46.6(9) . . . . ?
Dy1 O1 C1 C2 135.9(6) . . . . ?
Dy1 O10 C58 O9 84.2(7) . . . . ?
Dy1 O10 C58 C57 -93.0(7) . . . . ?
Dy1 N1 N2 C8 -15.2(6) . . . . ?
Dy1 N1 C7 C6 12.5(9) . . . . ?
Dy2 O2 C8 N2 -176.7(4) . . . . ?
Dy2 O2 C8 C9 4.5(7) . . . . ?
Dy2 O12 C60 O11 33.5(7) . . . . ?
Dy2 O12 C60 C59 -143.9(5) . . . . ?
Dy2 O3 C21 N5 -160.4(5) . . . . ?
Dy2 O3 C21 C20 17.2(7) . . . . ?
Dy2 N3 C9 C8 5.7(7) . . . . ?
Dy2 N3 C9 C10 -173.9(5) . . . . ?
Dy2 N3 C13 C12 171.3(5) . . . . ?
Dy2 N3 C13 C14 -9.1(8) . . . . ?
Dy2 N4 C20 C21 -5.9(7) . . . . ?
Dy2 N4 C20 C19 169.6(5) . . . . ?
Dy2 N4 C14 C13 12.2(8) . . . . ?
Dy2 N4 C14 C15 -167.7(5) . . . . ?
Dy3 O12 C60 O11 -143.6(4) . . . . ?
Dy3 O12 C60 C59 39.0(8) . . . . ?
Dy3 O6 C36 N8 15.7(8) . . . . ?
Dy3 O6 C36 C37 -165.1(4) . . . . ?
Dy3 O3 C21 N5 10.0(8) . . . . ?
Dy3 O3 C21 C20 -172.4(4) . . . . ?
Dy3 O4 C28 C27 -164.3(5) . . . . ?
Dy3 O4 C28 C23 14.1(11) . . . . ?
Dy3 O16 C64 Dy4 -169.7(8) . . . . ?
Dy3 O16 C64 O15 -162.7(5) . . . . ?
Dy3 O16 C64 C63 19.0(12) . . . . ?
Dy3 O5 C29 C34 -2.3(12) . . . . ?
Dy3 O5 C29 C30 177.6(6) . . . . ?
Dy3 N7 C35 C34 9.4(10) . . . . ?
Dy3 N6 C22 C23 6.7(10) . . . . ?
Dy5 O8 C56 C55 159.3(7) . . . . ?
Dy5 O8 C56 C51 -17.7(15) . . . . ?
Dy5 O7 C49 N11 -17.3(9) . . . . ?
Dy5 O7 C49 C48 158.6(4) . . . . ?
Dy5 O15 C64 Dy4 147.5(7) . . . . ?
Dy5 O15 C64 O16 140.7(5) . . . . ?
Dy5 O15 C64 C63 -41.0(10) . . . . ?
Dy5 O18 C66 O17 -1.6(7) . . . . ?
Dy5 O18 C66 C65 178.1(8) . . . . ?
Dy5 O17 C66 O18 1.6(7) . . . . ?
Dy5 O17 C66 C65 -178.1(8) . . . . ?
Dy5 O13 C62 O14 14.0(15) . . . . ?
Dy5 O13 C62 C61 -175.4(11) . . . . ?
Dy5 O19 C68 O20 117.9(8) . . . . ?
Dy5 O19 C68 C67 -63.2(13) . . . . ?
Dy5 N12 N11 C49 11.9(7) . . . . ?
Dy5 N12 C50 C51 -3.1(13) . . . . ?
O6 C36 C37 N9 -9.0(8) . . . . ?
O6 C36 C37 C38 170.5(5) . . . . ?
O3 C21 C20 N4 -5.8(8) . . . . ?
O3 C21 C20 C19 178.8(6) . . . . ?
O8 C56 C51 C52 179.6(8) . . . . ?
O8 C56 C51 C50 -0.4(14) . . . . ?
O4 C28 C23 C24 179.8(6) . . . . ?
O4 C28 C23 C22 -4.7(10) . . . . ?
O7 C49 N11 N12 3.6(10) . . . . ?
O7 C49 C48 N10 2.2(9) . . . . ?
O7 C49 C48 C47 -174.6(7) . . . . ?
O5 C29 C30 C31 179.2(8) . . . . ?
O1 C1 C6 C7 0.7(10) . . . . ?
O1 C1 C6 C5 -177.2(6) . . . . ?
O1 C1 C2 C3 178.3(7) . . . . ?
N3 C9 C8 O2 -6.3(7) . . . . ?
N3 C9 C8 N2 174.9(6) . . . . ?
N3 C9 C10 C11 2.1(10) . . . . ?
N8 N7 C35 C34 -177.2(6) . . . . ?
N8 C36 C37 N9 170.2(5) . . . . ?
N8 C36 C37 C38 -10.3(9) . . . . ?
N5 N6 C22 C23 -171.9(6) . . . . ?
N5 C21 C20 N4 172.0(6) . . . . ?
N5 C21 C20 C19 -3.4(10) . . . . ?
N1 N2 C8 O2 -1.0(8) . . . . ?
N1 N2 C8 C9 177.7(5) . . . . ?
N1 C7 C6 C1 12.6(10) . . . . ?
N1 C7 C6 C5 -169.4(6) . . . . ?
N7 N8 C36 O6 0.0(9) . . . . ?
N7 N8 C36 C37 -179.2(5) . . . . ?
N2 N1 C7 C6 179.8(6) . . . . ?
C36 N8 N7 Dy3 -15.3(6) . . . . ?
C36 N8 N7 C35 170.3(5) . . . . ?
N6 N5 C21 O3 4.0(9) . . . . ?
N6 N5 C21 C20 -173.5(5) . . . . ?
N4 C20 C19 C18 -2.9(11) . . . . ?
N4 C14 C13 N3 -1.9(9) . . . . ?
N4 C14 C13 C12 177.8(6) . . . . ?
N4 C14 C15 C16 179.3(6) . . . . ?
N4 C14 C15 C18 -0.4(10) . . . . ?
N9 C41 C42 N10 3.7(9) . . . . ?
N9 C41 C42 C43 -176.8(6) . . . . ?
C38 C39 C40 C41 -0.4(10) . . . . ?
C38 C39 C40 C45 -178.5(6) . . . . ?
N10 C48 C47 C46 -1.4(12) . . . . ?
N10 C42 C43 C44 176.7(6) . . . . ?
N10 C42 C43 C46 -3.3(11) . . . . ?
N12 C50 C51 C56 8.9(14) . . . . ?
N12 C50 C51 C52 -171.1(9) . . . . ?
C49 C48 C47 C46 175.2(8) . . . . ?
C21 N5 N6 Dy3 -15.1(6) . . . . ?
C21 N5 N6 C22 163.7(6) . . . . ?
C21 C20 C19 C18 172.1(6) . . . . ?
C37 N9 C41 C40 -2.0(9) . . . . ?
C37 N9 C41 C42 177.9(5) . . . . ?
C37 C38 C39 C40 0.5(10) . . . . ?
C39 C38 C37 C36 179.2(6) . . . . ?
C39 C38 C37 N9 -1.3(9) . . . . ?
C39 C40 C41 N9 1.2(10) . . . . ?
C39 C40 C41 C42 -178.7(6) . . . . ?
C39 C40 C45 C44 175.6(7) . . . . ?
C24 C23 C22 N6 171.2(7) . . . . ?
N11 N12 C50 C51 179.2(8) . . . . ?
N11 C49 C48 N10 178.5(6) . . . . ?
N11 C49 C48 C47 1.7(11) . . . . ?
C9 N3 C13 C12 -2.6(9) . . . . ?
C9 N3 C13 C14 177.0(6) . . . . ?
C9 C10 C11 C12 -1.4(10) . . . . ?
C8 C9 C10 C11 -177.5(6) . . . . ?
C10 C9 C8 O2 173.3(6) . . . . ?
C10 C9 C8 N2 -5.4(9) . . . . ?
C7 N1 N2 C8 176.3(5) . . . . ?
C7 C6 C5 C4 -179.5(7) . . . . ?
C40 C41 C42 N10 -176.3(6) . . . . ?
C40 C41 C42 C43 3.1(10) . . . . ?
C1 C6 C5 C4 -1.5(11) . . . . ?
C1 C2 C3 C4 -0.8(14) . . . . ?
C27 C28 C23 C24 -1.8(10) . . . . ?
C27 C28 C23 C22 173.7(6) . . . . ?
C27 C26 C25 C24 -0.5(13) . . . . ?
C20 N4 C14 C13 178.4(6) . . . . ?
C20 N4 C14 C15 -1.5(10) . . . . ?
C20 C19 C18 C15 0.8(11) . . . . ?
C34 C33 C32 C31 -0.6(15) . . . . ?
C34 C29 C30 C31 -0.9(13) . . . . ?
C14 N4 C20 C21 -172.3(5) . . . . ?
C14 N4 C20 C19 3.1(9) . . . . ?
C28 C27 C26 C25 0.8(12) . . . . ?
C28 C23 C22 N6 -4.4(11) . . . . ?
C33 C34 C29 O5 179.4(7) . . . . ?
C33 C34 C29 C30 -0.5(11) . . . . ?
C33 C34 C35 N7 176.4(7) . . . . ?
C33 C32 C31 C30 -0.7(16) . . . . ?
C41 N9 C37 C36 -178.4(5) . . . . ?
C41 N9 C37 C38 2.1(9) . . . . ?
C41 C40 C45 C44 -2.5(11) . . . . ?
C41 C42 C43 C44 -2.8(10) . . . . ?
C41 C42 C43 C46 177.3(7) . . . . ?
C13 N3 C9 C8 179.5(5) . . . . ?
C13 N3 C9 C10 -0.1(9) . . . . ?
C13 C12 C11 C10 -1.1(10) . . . . ?
C13 C12 C17 C16 -1.9(11) . . . . ?
C13 C14 C15 C16 -0.6(10) . . . . ?
C13 C14 C15 C18 179.7(6) . . . . ?
C23 C24 C25 C26 -0.9(13) . . . . ?
C29 C34 C33 C32 1.3(12) . . . . ?
C29 C34 C35 N7 -2.3(11) . . . . ?
C29 C30 C31 C32 1.5(15) . . . . ?
C6 C1 C2 C3 0.7(11) . . . . ?
C48 N10 C42 C41 -178.8(6) . . . . ?
C48 N10 C42 C43 1.8(9) . . . . ?
C48 C49 N11 N12 -172.2(6) . . . . ?
C55 C56 C51 C52 2.5(13) . . . . ?
C55 C56 C51 C50 -177.5(8) . . . . ?
C11 C12 C13 N3 3.2(10) . . . . ?
C11 C12 C13 C14 -176.4(6) . . . . ?
C11 C12 C17 C16 178.1(7) . . . . ?
C56 C55 C54 C53 1.4(16) . . . . ?
C35 C34 C33 C32 -177.4(8) . . . . ?
C35 C34 C29 O5 -2.0(11) . . . . ?
C35 C34 C29 C30 178.1(7) . . . . ?
C42 N10 C48 C49 -176.2(6) . . . . ?
C42 N10 C48 C47 0.7(10) . . . . ?
C19 C18 C15 C14 0.7(11) . . . . ?
C19 C18 C15 C16 -179.0(7) . . . . ?
C2 C1 C6 C7 178.4(6) . . . . ?
C2 C1 C6 C5 0.5(10) . . . . ?
C5 C4 C3 C2 -0.2(13) . . . . ?
C52 C53 C54 C55 -1.6(18) . . . . ?
C15 C14 C13 N3 178.0(6) . . . . ?
C15 C14 C13 C12 -2.3(10) . . . . ?
C15 C16 C17 C12 -1.0(12) . . . . ?
C50 N12 N11 C49 -170.1(7) . . . . ?
C43 C44 C45 C40 2.9(12) . . . . ?
C43 C46 C47 C48 -0.2(13) . . . . ?
C45 C40 C41 N9 179.4(6) . . . . ?
C45 C40 C41 C42 -0.5(10) . . . . ?
C45 C44 C43 C42 -0.3(12) . . . . ?
C45 C44 C43 C46 179.7(8) . . . . ?
C51 C52 C53 C54 2.3(17) . . . . ?
C53 C52 C51 C56 -2.8(15) . . . . ?
C53 C52 C51 C50 177.2(10) . . . . ?
C26 C27 C28 O4 178.9(6) . . . . ?
C26 C27 C28 C23 0.4(10) . . . . ?
C25 C24 C23 C28 2.1(12) . . . . ?
C25 C24 C23 C22 -173.7(7) . . . . ?
C17 C12 C13 N3 -176.8(6) . . . . ?
C17 C12 C13 C14 3.5(10) . . . . ?
C17 C12 C11 C10 179.0(7) . . . . ?
C17 C16 C15 C14 2.3(11) . . . . ?
C17 C16 C15 C18 -178.0(7) . . . . ?
C47 C46 C43 C44 -177.5(8) . . . . ?
C47 C46 C43 C42 2.5(12) . . . . ?
C3 C4 C5 C6 1.3(12) . . . . ?
C54 C55 C56 O8 -178.9(9) . . . . ?
C54 C55 C56 C51 -1.8(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_1220_8_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 1937471'
loop_
_audit_author_name
_audit_author_address
ting
;guangxishifandaxue
China
;
_audit_update_record             
;
2019-07-01 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
_audit_creation_date             2019-03-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C71 H53 N16 O22 Tb5, 3(C H4 O)'
_chemical_formula_sum            'C74 H65 N16 O25 Tb5'
_chemical_formula_weight         2373.02
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.4410(9)
_cell_length_b                   17.2204(10)
_cell_length_c                   20.4129(11)
_cell_angle_alpha                111.301(2)
_cell_angle_beta                 90.017(2)
_cell_angle_gamma                101.333(2)
_cell_volume                     4943.1(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.43
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.633
_shelx_estimated_absorpt_T_min   0.454
_exptl_absorpt_coefficient_mu    3.602
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5184
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0970 before and 0.0629 after correction.
The Ratio of minimum to maximum transmission is 0.6955.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2292
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_av_unetI/netI     0.0535
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            105653
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.493
_diffrn_reflns_theta_min         2.148
_diffrn_ambient_temperature      150.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14371
_reflns_number_total             20401
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         2.303
_refine_diff_density_min         -1.683
_refine_diff_density_rms         0.182
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1097
_refine_ls_number_reflns         20401
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0458
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0653P)²+20.4799P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1299
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O20-H20
 0.87 with sigma of 0.01
 H20-H24A
 2.2 with sigma of 0.02
 H19A-H23
 2.2 with sigma of 0.02
 O8-H23
 2 with sigma of 0.02
 H19B_$1-H24_$2
 2.2 with sigma of 0.02
 C71-H20
 1.979718 with sigma of 0.02
 Tb4-H20
 2.919611 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C37) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Rotating group:
 O19(H19A,H19B)
4.b Aromatic/amide H refined with riding coordinates:
 C24(H24), C41(H41), C21(H21), C11(H11), C40(H40), C51(H51), C15(H15),
 C29(H29), C10(H10), C16(H16), C54(H54), C22(H22), C26(H26), C28(H28), C59(H59),
  C52(H52), C45(H45), C46(H46), C7(H7), C37(H37), C27(H27), C56(H56), C32(H32),
 C58(H58), C57(H57), C2(H2), C5(H5), C35(H35), C33(H33), C34(H34), C3(H3),
 C4(H4)
4.c Idealised Me refined as rotating group:
 C67(H67A,H67B,H67C), C71(H71A,H71B,H71C), C61(H61A,H61B,H61C), C65(H65A,H65B,
 H65C), C69(H69A,H69B,H69C), C73(H73A,H73B,H73C), C63(H63A,H63B,H63C), C74(H74A,
 H74B,H74C), C72(H72A,H72B,H72C)
4.d Idealised tetrahedral OH refined as rotating group:
 O25(H25), O24(H24A), O23(H23)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb4 Tb 0.66639(2) 0.71514(2) 0.87719(2) 0.02330(9) Uani 1 1 d D . . . .
Tb2 Tb 0.66001(2) 0.51263(2) 0.66152(2) 0.02193(8) Uani 1 1 d . . . . .
Tb3 Tb 0.53400(2) 0.68703(2) 0.71229(2) 0.02307(9) Uani 1 1 d . . . . .
Tb5 Tb 0.89369(2) 0.80616(2) 0.79802(2) 0.02534(9) Uani 1 1 d . . . . .
Tb1 Tb 0.64301(2) 0.45602(2) 0.83111(2) 0.02591(9) Uani 1 1 d . . . . .
O15 O 0.7451(3) 0.5844(3) 0.8446(3) 0.0312(12) Uani 1 1 d . . . . .
O22 O 0.5502(3) 0.7415(3) 0.8297(2) 0.0293(11) Uani 1 1 d . . . . .
O6 O 0.7676(3) 0.8349(3) 0.8642(3) 0.0277(11) Uani 1 1 d . . . . .
O16 O 0.8277(3) 0.6999(3) 0.8411(3) 0.0319(12) Uani 1 1 d . . . . .
O2 O 0.7008(3) 0.4308(3) 0.7192(2) 0.0278(11) Uani 1 1 d . . . . .
O21 O 0.6596(3) 0.6480(3) 0.7506(2) 0.0243(10) Uani 1 1 d . . . . .
O7 O 0.5924(3) 0.5850(3) 0.8909(3) 0.0292(11) Uani 1 1 d . . . . .
O3 O 0.5851(3) 0.5892(3) 0.6170(2) 0.0276(11) Uani 1 1 d . . . . .
O12 O 0.8006(3) 0.5800(3) 0.6713(3) 0.0345(12) Uani 1 1 d . . . . .
O14 O 0.4650(3) 0.5575(3) 0.7191(3) 0.0313(12) Uani 1 1 d . . . . .
O10 O 0.6409(3) 0.7908(3) 0.6970(3) 0.0292(11) Uani 1 1 d . . . . .
O11 O 0.9215(3) 0.6830(3) 0.7090(3) 0.0331(12) Uani 1 1 d . . . . .
O19 O 0.5403(3) 0.3983(3) 0.5997(2) 0.0290(11) Uani 1 1 d . . . . .
H19A H 0.549435 0.346761 0.599203 0.043 Uiso 1 1 d DGR . . . .
H19B H 0.536007 0.389033 0.552355 0.043 Uiso 1 1 d DGR . . . .
O1 O 0.7031(4) 0.4695(3) 0.9325(3) 0.0382(13) Uani 1 1 d . . . . .
O4 O 0.4202(3) 0.7508(3) 0.7223(3) 0.0336(12) Uani 1 1 d . . . . .
O13 O 0.5558(3) 0.4859(3) 0.7442(3) 0.0288(11) Uani 1 1 d . . . . .
O9 O 0.7772(3) 0.7719(3) 0.7138(3) 0.0320(12) Uani 1 1 d . . . . .
O5 O 0.9793(4) 0.8684(3) 0.7385(3) 0.0379(13) Uani 1 1 d . . . . .
O20 O 0.7501(4) 0.7445(4) 0.9839(3) 0.0411(14) Uani 1 1 d D . . . .
H20 H 0.784(3) 0.7955(13) 1.005(2) 0.062 Uiso 1 1 d DR . . . .
N3 N 0.7410(4) 0.3992(4) 0.5910(3) 0.0250(13) Uani 1 1 d . . . . .
O17 O 1.0276(3) 0.7840(4) 0.8443(3) 0.0409(14) Uani 1 1 d . . . . .
N7 N 0.5338(4) 0.6335(4) 0.5331(3) 0.0257(13) Uani 1 1 d . . . . .
N14 N 0.5480(4) 0.7298(4) 0.9675(3) 0.0272(13) Uani 1 1 d . . . . .
N6 N 0.6728(4) 0.4907(4) 0.5317(3) 0.0253(13) Uani 1 1 d . . . . .
O8 O 0.5756(4) 0.3185(3) 0.7809(3) 0.0364(13) Uani 1 1 d D . . . .
O18 O 0.9575(4) 0.8724(4) 0.9197(3) 0.0406(14) Uani 1 1 d . . . . .
N8 N 0.4908(4) 0.6814(4) 0.5915(3) 0.0258(13) Uani 1 1 d . . . . .
N11 N 0.6519(4) 0.8676(4) 0.9585(3) 0.0285(14) Uani 1 1 d . . . . .
N15 N 0.4705(5) 0.5099(4) 0.9264(3) 0.0330(15) Uani 1 1 d . . . . .
N16 N 0.4992(4) 0.4360(4) 0.8835(3) 0.0311(14) Uani 1 1 d . . . . .
N4 N 0.8738(4) 0.2644(4) 0.3762(3) 0.0313(14) Uani 1 1 d . . . . .
N10 N 0.8148(4) 0.9800(4) 0.8864(3) 0.0331(15) Uani 1 1 d . . . . .
N12 N 0.4927(4) 1.0488(4) 1.1319(3) 0.0344(15) Uani 1 1 d . . . . .
N1 N 0.7762(4) 0.3875(4) 0.8092(3) 0.0345(15) Uani 1 1 d . . . . .
C20 C 0.6335(5) 0.5358(5) 0.5038(4) 0.0259(15) Uani 1 1 d . . . . .
O25 O 0.3674(5) 0.7619(4) 0.8585(3) 0.0561(18) Uani 1 1 d . . . . .
H25 H 0.366449 0.764784 0.818312 0.084 Uiso 1 1 calc GR . . . .
N2 N 0.7977(5) 0.3526(4) 0.7377(3) 0.0387(16) Uani 1 1 d . . . . .
N13 N 0.3753(5) 0.9031(4) 1.1339(3) 0.0383(16) Uani 1 1 d . . . . .
C68 C 0.8204(5) 0.6234(5) 0.8371(4) 0.0303(17) Uani 1 1 d . . . . .
N5 N 0.8023(4) 0.3626(4) 0.3144(3) 0.0325(15) Uani 1 1 d . . . . .
C24 C 0.4471(5) 0.7299(4) 0.5749(4) 0.0290(16) Uani 1 1 d . . . . .
H24 H 0.448361 0.727739 0.527686 0.035 Uiso 1 1 calc DR . . . .
N9 N 0.8737(4) 0.9550(4) 0.8352(4) 0.0337(15) Uani 1 1 d . . . . .
C38 C 0.7660(5) 0.9144(4) 0.8964(4) 0.0292(16) Uani 1 1 d . . . . .
C42 C 0.5747(5) 0.9621(5) 1.0451(4) 0.0285(16) Uani 1 1 d . . . . .
C64 C 0.8828(5) 0.6098(5) 0.6710(4) 0.0335(18) Uani 1 1 d . . . . .
C13 C 0.7592(5) 0.3872(5) 0.5231(4) 0.0266(16) Uani 1 1 d . . . . .
C39 C 0.7017(5) 0.9350(4) 0.9512(4) 0.0235(15) Uani 1 1 d . . . . .
C19 C 0.7208(5) 0.4366(4) 0.4910(4) 0.0236(15) Uani 1 1 d . . . . .
C23 C 0.5805(5) 0.5900(4) 0.5541(3) 0.0248(15) Uani 1 1 d . . . . .
C43 C 0.5876(5) 0.8809(4) 1.0038(4) 0.0262(15) Uani 1 1 d . . . . .
C49 C 0.5303(5) 0.8060(5) 1.0076(4) 0.0285(16) Uani 1 1 d . . . . .
C41 C 0.6309(5) 1.0333(5) 1.0386(4) 0.0322(17) Uani 1 1 d . . . . .
H41 H 0.625491 1.089575 1.066672 0.039 Uiso 1 1 calc R . . . .
C50 C 0.4968(5) 0.6598(5) 0.9701(4) 0.0312(17) Uani 1 1 d . . . . .
C47 C 0.4445(5) 0.8968(5) 1.0933(4) 0.0302(17) Uani 1 1 d . . . . .
C9 C 0.7776(5) 0.3571(5) 0.6226(4) 0.0267(15) Uani 1 1 d . . . . .
C53 C 0.5215(5) 0.5795(5) 0.9257(4) 0.0295(16) Uani 1 1 d . . . . .
C66 C 0.4775(5) 0.4984(5) 0.7367(4) 0.0295(16) Uani 1 1 d . . . . .
C12 C 0.8107(5) 0.3306(5) 0.4848(4) 0.0293(16) Uani 1 1 d . . . . .
C17 C 0.7889(5) 0.3694(4) 0.3821(4) 0.0261(15) Uani 1 1 d . . . . .
C62 C 0.7248(5) 0.8088(5) 0.6948(4) 0.0312(17) Uani 1 1 d . . . . .
C25 C 0.3969(5) 0.7869(5) 0.6214(4) 0.0342(18) Uani 1 1 d . . . . .
C44 C 0.5024(5) 0.9702(5) 1.0917(4) 0.0293(16) Uani 1 1 d . . . . .
C21 C 0.6427(5) 0.5287(5) 0.4338(4) 0.0325(17) Uani 1 1 d . . . . .
H21 H 0.613703 0.560494 0.414780 0.039 Uiso 1 1 calc R . . . .
C11 C 0.8435(5) 0.2838(5) 0.5212(4) 0.0350(18) Uani 1 1 d . . . . .
H11 H 0.876733 0.242447 0.497099 0.042 Uiso 1 1 calc R . . . .
C8 C 0.7571(5) 0.3801(5) 0.6976(4) 0.0303(17) Uani 1 1 d . . . . .
C67 C 0.8988(5) 0.5838(5) 0.8254(5) 0.0394(19) Uani 1 1 d . . . . .
H67A H 0.906575 0.561877 0.862634 0.059 Uiso 1 1 calc GR . . . .
H67B H 0.951651 0.626627 0.826576 0.059 Uiso 1 1 calc GR . . . .
H67C H 0.890075 0.536857 0.779416 0.059 Uiso 1 1 calc GR . . . .
C14 C 0.8258(4) 0.3210(5) 0.4123(4) 0.0277(16) Uani 1 1 d . . . . .
C18 C 0.7343(4) 0.4279(5) 0.4216(4) 0.0258(15) Uani 1 1 d . . . . .
C30 C 0.3857(5) 0.7955(5) 0.6926(4) 0.0299(17) Uani 1 1 d . . . . .
C70 C 1.0169(6) 0.8269(6) 0.9067(5) 0.042(2) Uani 1 1 d . . . . .
C40 C 0.6939(5) 1.0196(5) 0.9905(4) 0.0315(17) Uani 1 1 d . . . . .
H40 H 0.731707 1.066239 0.983683 0.038 Uiso 1 1 calc R . . . .
C51 C 0.4241(6) 0.6604(5) 1.0118(4) 0.0357(19) Uani 1 1 d . . . . .
H51 H 0.388890 0.608720 1.012149 0.043 Uiso 1 1 calc R . . . .
C15 C 0.8837(5) 0.2574(5) 0.3108(4) 0.0343(18) Uani 1 1 d . . . . .
H15 H 0.916605 0.217498 0.283285 0.041 Uiso 1 1 calc R . . . .
C29 C 0.3348(5) 0.8534(5) 0.7314(4) 0.0351(18) Uani 1 1 d . . . . .
H29 H 0.325869 0.860093 0.779000 0.042 Uiso 1 1 calc R . . . .
O24 O 0.8673(6) 0.8876(5) 1.0354(4) 0.087(3) Uani 1 1 d . . . . .
H24A H 0.891723 0.900056 1.002695 0.130 Uiso 1 1 calc DGR . . . .
C10 C 0.8279(6) 0.2976(5) 0.5890(4) 0.040(2) Uani 1 1 d . . . . .
H10 H 0.850832 0.267352 0.613271 0.048 Uiso 1 1 calc R . . . .
C16 C 0.8482(5) 0.3057(5) 0.2788(4) 0.0348(18) Uani 1 1 d . . . . .
H16 H 0.857524 0.297168 0.230882 0.042 Uiso 1 1 calc R . . . .
C48 C 0.4583(5) 0.8126(5) 1.0501(4) 0.0297(17) Uani 1 1 d . . . . .
O23 O 0.5327(7) 0.2700(5) 0.6388(4) 0.088(3) Uani 1 1 d . . . . .
H23 H 0.562968 0.289880 0.677720 0.132 Uiso 1 1 calc DGR . . . .
C54 C 0.4426(6) 0.3680(5) 0.8802(4) 0.0365(18) Uani 1 1 d . . . . .
H54 H 0.392627 0.375907 0.907169 0.044 Uiso 1 1 calc R . . . .
C22 C 0.6934(5) 0.4760(5) 0.3930(4) 0.0317(17) Uani 1 1 d . . . . .
H22 H 0.701018 0.471783 0.345752 0.038 Uiso 1 1 calc R . . . .
C26 C 0.3585(6) 0.8362(5) 0.5935(5) 0.041(2) Uani 1 1 d . . . . .
H26 H 0.366719 0.830693 0.546057 0.050 Uiso 1 1 calc R . . . .
C1 C 0.7687(6) 0.4542(6) 0.9657(5) 0.045(2) Uani 1 1 d . . . . .
C60 C 0.5158(5) 0.2606(5) 0.7922(4) 0.0332(17) Uani 1 1 d . . . . .
C28 C 0.2974(6) 0.9008(5) 0.7020(5) 0.044(2) Uani 1 1 d . . . . .
H28 H 0.263077 0.939432 0.729225 0.053 Uiso 1 1 calc R . . . .
C59 C 0.5153(6) 0.1735(5) 0.7577(4) 0.0384(19) Uani 1 1 d . . . . .
H59 H 0.560719 0.157149 0.727511 0.046 Uiso 1 1 calc R . . . .
C55 C 0.4487(6) 0.2814(5) 0.8394(4) 0.0361(18) Uani 1 1 d . . . . .
C52 C 0.4054(5) 0.7376(5) 1.0519(4) 0.0350(18) Uani 1 1 d . . . . .
H52 H 0.356916 0.740081 1.080746 0.042 Uiso 1 1 calc R . . . .
C45 C 0.4255(6) 1.0540(5) 1.1724(4) 0.042(2) Uani 1 1 d . . . . .
H45 H 0.416211 1.108492 1.201552 0.050 Uiso 1 1 calc R . . . .
C46 C 0.3682(6) 0.9811(5) 1.1729(4) 0.040(2) Uani 1 1 d . . . . .
H46 H 0.321160 0.987977 1.203130 0.048 Uiso 1 1 calc R . . . .
C7 C 0.8317(6) 0.3773(6) 0.8513(5) 0.049(2) Uani 1 1 d . . . . .
H7 H 0.876500 0.347299 0.830857 0.059 Uiso 1 1 calc R . . . .
C31 C 1.0095(5) 0.9404(5) 0.7298(4) 0.0360(19) Uani 1 1 d . . . . .
C71 C 0.7836(8) 0.6842(6) 1.0105(5) 0.062(3) Uani 1 1 d D . . . .
H71A H 0.836639 0.669301 0.986952 0.092 Uiso 1 1 calc GR . . . .
H71B H 0.737657 0.632391 1.000426 0.092 Uiso 1 1 calc GR . . . .
H71C H 0.798484 0.711680 1.061559 0.092 Uiso 1 1 calc GR . . . .
C61 C 0.7603(6) 0.8757(6) 0.6650(5) 0.049(2) Uani 1 1 d . . . . .
H61A H 0.733254 0.858310 0.617070 0.074 Uiso 1 1 calc GR . . . .
H61B H 0.824748 0.882358 0.663845 0.074 Uiso 1 1 calc GR . . . .
H61C H 0.746167 0.930066 0.694764 0.074 Uiso 1 1 calc GR . . . .
C65 C 0.4005(6) 0.4384(6) 0.7462(4) 0.048(2) Uani 1 1 d . . . . .
H65A H 0.382223 0.461966 0.794152 0.072 Uiso 1 1 calc GR . . . .
H65B H 0.416846 0.383739 0.738559 0.072 Uiso 1 1 calc GR . . . .
H65C H 0.351400 0.429609 0.712075 0.072 Uiso 1 1 calc GR . . . .
C37 C 0.9159(5) 1.0152(5) 0.8207(4) 0.0373(19) Uani 1 1 d . U . . .
H37 H 0.904873 1.069642 0.848123 0.045 Uiso 1 1 calc R . . . .
C27 C 0.3100(6) 0.8918(5) 0.6320(5) 0.046(2) Uani 1 1 d . . . . .
H27 H 0.284614 0.924488 0.611620 0.055 Uiso 1 1 calc R . . . .
C56 C 0.3841(6) 0.2159(5) 0.8469(5) 0.047(2) Uani 1 1 d . . . . .
H56 H 0.338647 0.230788 0.877468 0.056 Uiso 1 1 calc R . . . .
C32 C 1.0722(6) 0.9443(6) 0.6799(5) 0.050(2) Uani 1 1 d . . . . .
H32 H 1.093395 0.894690 0.653637 0.060 Uiso 1 1 calc R . . . .
C6 C 0.8303(7) 0.4086(7) 0.9283(5) 0.055(3) Uani 1 1 d . . . . .
C36 C 0.9803(6) 1.0151(5) 0.7676(5) 0.044(2) Uani 1 1 d . . . . .
C58 C 0.4502(6) 0.1109(5) 0.7664(5) 0.048(2) Uani 1 1 d . . . . .
H58 H 0.450514 0.052517 0.740823 0.057 Uiso 1 1 calc R . . . .
C57 C 0.3844(7) 0.1323(5) 0.8123(5) 0.051(2) Uani 1 1 d . . . . .
H57 H 0.340674 0.089217 0.819073 0.061 Uiso 1 1 calc R . . . .
C69 C 1.0705(8) 0.8279(7) 0.9674(6) 0.069(3) Uani 1 1 d . . . . .
H69A H 1.085890 0.886110 1.002565 0.104 Uiso 1 1 calc GR . . . .
H69B H 1.124897 0.808201 0.951069 0.104 Uiso 1 1 calc GR . . . .
H69C H 1.036267 0.790089 0.988530 0.104 Uiso 1 1 calc GR . . . .
C73 C 0.8638(9) 0.9608(7) 1.0911(6) 0.073(3) Uani 1 1 d . . . . .
H73A H 0.806050 0.975489 1.088256 0.109 Uiso 1 1 calc GR . . . .
H73B H 0.910865 1.007367 1.089642 0.109 Uiso 1 1 calc GR . . . .
H73C H 0.871835 0.952105 1.135383 0.109 Uiso 1 1 calc GR . . . .
C2 C 0.7756(7) 0.4824(7) 1.0395(5) 0.060(3) Uani 1 1 d . . . . .
H2 H 0.734492 0.513606 1.065698 0.072 Uiso 1 1 calc R . . . .
C63 C 0.9366(7) 0.5510(6) 0.6224(6) 0.073(4) Uani 1 1 d . . . . .
H63A H 0.920823 0.494732 0.625911 0.109 Uiso 1 1 calc GR . . . .
H63B H 0.999826 0.574783 0.636206 0.109 Uiso 1 1 calc GR . . . .
H63C H 0.923744 0.545430 0.573693 0.109 Uiso 1 1 calc GR . . . .
C74 C 0.3194(7) 0.6810(7) 0.8542(6) 0.065(3) Uani 1 1 d . . . . .
H74A H 0.273840 0.658444 0.814691 0.098 Uiso 1 1 calc GR . . . .
H74B H 0.291114 0.686563 0.898205 0.098 Uiso 1 1 calc GR . . . .
H74C H 0.359938 0.641849 0.846721 0.098 Uiso 1 1 calc GR . . . .
C5 C 0.8982(8) 0.3933(11) 0.9647(6) 0.099(5) Uani 1 1 d . . . . .
H5 H 0.941263 0.364044 0.939661 0.119 Uiso 1 1 calc R . . . .
C35 C 1.0142(8) 1.0907(6) 0.7566(7) 0.083(4) Uani 1 1 d . . . . .
H35 H 0.994831 1.141271 0.783205 0.099 Uiso 1 1 calc R . . . .
C33 C 1.1022(8) 1.0172(7) 0.6691(7) 0.082(4) Uani 1 1 d . . . . .
H33 H 1.142984 1.017495 0.634316 0.099 Uiso 1 1 calc R . . . .
C34 C 1.0749(8) 1.0929(7) 0.7080(8) 0.094(5) Uani 1 1 d . . . . .
H34 H 1.097861 1.144349 0.700799 0.112 Uiso 1 1 calc R . . . .
C3 C 0.8398(9) 0.4657(10) 1.0736(7) 0.089(4) Uani 1 1 d . . . . .
H3 H 0.843116 0.484591 1.123599 0.107 Uiso 1 1 calc R . . . .
C4 C 0.9013(11) 0.4209(13) 1.0365(8) 0.126(7) Uani 1 1 d . . . . .
H4 H 0.946119 0.409488 1.061442 0.151 Uiso 1 1 calc R . . . .
C72 C 0.5553(16) 0.1950(12) 0.5968(9) 0.164(9) Uani 1 1 d . . . . .
H72A H 0.501909 0.149541 0.580746 0.246 Uiso 1 1 calc GR . . . .
H72B H 0.596765 0.179546 0.623961 0.246 Uiso 1 1 calc GR . . . .
H72C H 0.583455 0.202560 0.555905 0.246 Uiso 1 1 calc GR . . . .


_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
Tb4 Tb3 3.7640(5) . ?
Tb4 O15 2.641(5) . ?
Tb4 O22 2.237(5) . ?
Tb4 O6 2.428(5) . ?
Tb4 O16 2.634(5) . ?
Tb4 O21 2.410(4) . ?
Tb4 O7 2.421(5) . ?
Tb4 O20 2.369(5) . ?
Tb4 N14 2.579(6) . ?
Tb4 N11 2.600(6) . ?
Tb2 Tb3 3.7304(5) . ?
Tb2 Tb1 3.9184(5) . ?
Tb2 O2 2.307(5) . ?
Tb2 O21 2.381(4) . ?
Tb2 O3 2.318(5) . ?
Tb2 O12 2.222(5) . ?
Tb2 O19 2.377(5) . ?
Tb2 O13 2.434(5) . ?
Tb2 N3 2.524(6) . ?
Tb2 N6 2.552(6) . ?
Tb3 O22 2.227(5) . ?
Tb3 O21 2.391(5) . ?
Tb3 O3 2.321(4) . ?
Tb3 O14 2.328(5) . ?
Tb3 O10 2.293(5) . ?
Tb3 O4 2.220(5) . ?
Tb3 N8 2.517(6) . ?
Tb5 O6 2.400(5) . ?
Tb5 O16 2.365(5) . ?
Tb5 O11 2.354(5) . ?
Tb5 O9 2.320(5) . ?
Tb5 O5 2.182(5) . ?
Tb5 O17 2.427(5) . ?
Tb5 O18 2.437(5) . ?
Tb5 N9 2.477(6) . ?
Tb5 C70 2.797(9) . ?
Tb1 O15 2.374(5) . ?
Tb1 O2 2.374(5) . ?
Tb1 O7 2.397(5) . ?
Tb1 O1 2.183(5) . ?
Tb1 O13 2.482(5) . ?
Tb1 O8 2.239(5) . ?
Tb1 N16 2.482(6) . ?
Tb1 N1 2.528(7) . ?
O15 C68 1.263(9) . ?
O6 C38 1.290(8) . ?
O16 C68 1.272(9) . ?
O2 C8 1.316(8) . ?
O7 C53 1.311(9) . ?
O3 C23 1.291(8) . ?
O12 C64 1.273(9) . ?
O14 C66 1.242(9) . ?
O10 C62 1.277(9) . ?
O11 C64 1.241(9) . ?
O19 H19A 0.9218 . ?
O19 H19B 0.9211 . ?
O1 C1 1.337(10) . ?
O4 C30 1.320(9) . ?
O13 C66 1.288(9) . ?
O9 C62 1.262(9) . ?
O5 C31 1.311(9) . ?
O20 H20 0.880(10) . ?
O20 C71 1.504(11) . ?
N3 C13 1.363(9) . ?
N3 C9 1.327(9) . ?
O17 C70 1.249(10) . ?
N7 N8 1.429(7) . ?
N7 C23 1.307(9) . ?
N14 C49 1.353(9) . ?
N14 C50 1.323(9) . ?
N6 C20 1.342(9) . ?
N6 C19 1.348(8) . ?
O8 C60 1.305(9) . ?
O18 C70 1.288(10) . ?
N8 C24 1.303(9) . ?
N11 C39 1.317(9) . ?
N11 C43 1.353(9) . ?
N15 N16 1.412(8) . ?
N15 C53 1.303(9) . ?
N16 C54 1.297(10) . ?
N4 C14 1.344(9) . ?
N4 C15 1.308(10) . ?
N10 N9 1.391(8) . ?
N10 C38 1.312(9) . ?
N12 C44 1.342(9) . ?
N12 C45 1.324(10) . ?
N1 N2 1.430(9) . ?
N1 C7 1.293(10) . ?
C20 C23 1.483(9) . ?
C20 C21 1.398(10) . ?
O25 H25 0.8400 . ?
O25 C74 1.416(11) . ?
N2 C8 1.299(10) . ?
N13 C47 1.351(9) . ?
N13 C46 1.315(10) . ?
C68 C67 1.482(11) . ?
N5 C17 1.365(9) . ?
N5 C16 1.321(10) . ?
C24 H24 0.9500 . ?
C24 C25 1.445(10) . ?
N9 C37 1.243(10) . ?
C38 C39 1.488(9) . ?
C42 C43 1.400(10) . ?
C42 C41 1.406(11) . ?
C42 C44 1.461(10) . ?
C64 C63 1.517(11) . ?
C13 C19 1.451(9) . ?
C13 C12 1.395(9) . ?
C39 C40 1.414(10) . ?
C19 C18 1.390(10) . ?
C43 C49 1.441(10) . ?
C49 C48 1.407(10) . ?
C41 H41 0.9500 . ?
C41 C40 1.374(10) . ?
C50 C53 1.476(10) . ?
C50 C51 1.409(10) . ?
C47 C44 1.408(10) . ?
C47 C48 1.455(10) . ?
C9 C8 1.485(10) . ?
C9 C10 1.388(10) . ?
C66 C65 1.477(11) . ?
C12 C11 1.432(10) . ?
C12 C14 1.453(10) . ?
C17 C14 1.398(10) . ?
C17 C18 1.457(9) . ?
C62 C61 1.502(11) . ?
C25 C30 1.420(11) . ?
C25 C26 1.396(11) . ?
C21 H21 0.9500 . ?
C21 C22 1.364(10) . ?
C11 H11 0.9500 . ?
C11 C10 1.347(11) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C18 C22 1.408(10) . ?
C30 C29 1.406(10) . ?
C70 C69 1.482(13) . ?
C40 H40 0.9500 . ?
C51 H51 0.9500 . ?
C51 C52 1.370(10) . ?
C15 H15 0.9500 . ?
C15 C16 1.412(11) . ?
C29 H29 0.9500 . ?
C29 C28 1.378(12) . ?
O24 H24A 0.8400 . ?
O24 C73 1.369(12) . ?
C10 H10 0.9500 . ?
C16 H16 0.9500 . ?
C48 C52 1.400(11) . ?
O23 H23 0.8400 . ?
O23 C72 1.377(18) . ?
C54 H54 0.9500 . ?
C54 C55 1.442(11) . ?
C22 H22 0.9500 . ?
C26 H26 0.9500 . ?
C26 C27 1.352(11) . ?
C1 C6 1.401(13) . ?
C1 C2 1.402(13) . ?
C60 C59 1.405(11) . ?
C60 C55 1.423(11) . ?
C28 H28 0.9500 . ?
C28 C27 1.397(13) . ?
C59 H59 0.9500 . ?
C59 C58 1.385(11) . ?
C55 C56 1.406(11) . ?
C52 H52 0.9500 . ?
C45 H45 0.9500 . ?
C45 C46 1.390(12) . ?
C46 H46 0.9500 . ?
C7 H7 0.9500 . ?
C7 C6 1.467(13) . ?
C31 C32 1.415(11) . ?
C31 C36 1.401(11) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C37 H37 0.9500 . ?
C37 C36 1.470(11) . ?
C27 H27 0.9500 . ?
C56 H56 0.9500 . ?
C56 C57 1.355(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.347(13) . ?
C6 C5 1.404(13) . ?
C36 C35 1.402(12) . ?
C58 H58 0.9500 . ?
C58 C57 1.394(13) . ?
C57 H57 0.9500 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C2 H2 0.9500 . ?
C2 C3 1.344(15) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C5 H5 0.9500 . ?
C5 C4 1.364(17) . ?
C35 H35 0.9500 . ?
C35 C34 1.369(14) . ?
C33 H33 0.9500 . ?
C33 C34 1.404(14) . ?
C34 H34 0.9500 . ?
C3 H3 0.9500 . ?
C3 C4 1.39(2) . ?
C4 H4 0.9500 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O15 Tb4 Tb3 106.42(11) . . ?
O22 Tb4 Tb3 32.43(12) . . ?
O22 Tb4 O15 134.50(17) . . ?
O22 Tb4 O6 92.65(18) . . ?
O22 Tb4 O16 134.89(17) . . ?
O22 Tb4 O21 70.60(16) . . ?
O22 Tb4 O7 98.11(18) . . ?
O22 Tb4 O20 144.57(19) . . ?
O22 Tb4 N14 73.47(18) . . ?
O22 Tb4 N11 74.21(18) . . ?
O6 Tb4 Tb3 89.04(12) . . ?
O6 Tb4 O15 109.00(16) . . ?
O6 Tb4 O16 60.54(16) . . ?
O6 Tb4 N14 124.20(17) . . ?
O6 Tb4 N11 62.46(17) . . ?
O16 Tb4 Tb3 106.41(11) . . ?
O16 Tb4 O15 48.52(15) . . ?
O21 Tb4 Tb3 38.18(11) . . ?
O21 Tb4 O15 71.37(16) . . ?
O21 Tb4 O6 86.47(16) . . ?
O21 Tb4 O16 72.07(16) . . ?
O21 Tb4 O7 93.03(16) . . ?
O21 Tb4 N14 133.34(18) . . ?
O21 Tb4 N11 131.27(17) . . ?
O7 Tb4 Tb3 97.73(12) . . ?
O7 Tb4 O15 60.09(16) . . ?
O7 Tb4 O6 168.41(17) . . ?
O7 Tb4 O16 108.30(16) . . ?
O7 Tb4 N14 63.65(17) . . ?
O7 Tb4 N11 124.75(17) . . ?
O20 Tb4 Tb3 175.48(14) . . ?
O20 Tb4 O15 77.68(18) . . ?
O20 Tb4 O6 87.79(18) . . ?
O20 Tb4 O16 74.75(19) . . ?
O20 Tb4 O21 144.63(19) . . ?
O20 Tb4 O7 85.94(18) . . ?
O20 Tb4 N14 77.1(2) . . ?
O20 Tb4 N11 74.7(2) . . ?
N14 Tb4 Tb3 102.09(14) . . ?
N14 Tb4 O15 119.14(17) . . ?
N14 Tb4 O16 151.27(18) . . ?
N14 Tb4 N11 61.75(18) . . ?
N11 Tb4 Tb3 100.96(14) . . ?
N11 Tb4 O15 151.29(18) . . ?
N11 Tb4 O16 115.12(18) . . ?
Tb3 Tb2 Tb1 99.668(10) . . ?
O2 Tb2 Tb3 133.29(12) . . ?
O2 Tb2 Tb1 33.71(11) . . ?
O2 Tb2 O21 105.93(17) . . ?
O2 Tb2 O3 165.14(17) . . ?
O2 Tb2 O19 89.42(18) . . ?
O2 Tb2 O13 65.88(16) . . ?
O2 Tb2 N3 64.22(17) . . ?
O2 Tb2 N6 127.18(17) . . ?
O21 Tb2 Tb3 38.67(11) . . ?
O21 Tb2 Tb1 78.54(11) . . ?
O21 Tb2 O13 73.79(16) . . ?
O21 Tb2 N3 150.83(18) . . ?
O21 Tb2 N6 122.88(17) . . ?
O3 Tb2 Tb3 36.50(11) . . ?
O3 Tb2 Tb1 133.57(11) . . ?
O3 Tb2 O21 70.30(16) . . ?
O3 Tb2 O19 82.97(18) . . ?
O3 Tb2 O13 99.45(17) . . ?
O3 Tb2 N3 125.99(17) . . ?
O3 Tb2 N6 62.95(17) . . ?
O12 Tb2 Tb3 104.14(13) . . ?
O12 Tb2 Tb1 102.79(14) . . ?
O12 Tb2 O2 89.70(19) . . ?
O12 Tb2 O21 77.74(18) . . ?
O12 Tb2 O3 103.16(19) . . ?
O12 Tb2 O19 150.81(18) . . ?
O12 Tb2 O13 134.74(19) . . ?
O12 Tb2 N3 74.93(19) . . ?
O12 Tb2 N6 82.65(19) . . ?
O19 Tb2 Tb3 97.57(12) . . ?
O19 Tb2 Tb1 92.38(12) . . ?
O19 Tb2 O21 130.28(16) . . ?
O19 Tb2 O13 70.21(17) . . ?
O19 Tb2 N3 78.46(18) . . ?
O19 Tb2 N6 74.78(18) . . ?
O13 Tb2 Tb3 73.33(12) . . ?
O13 Tb2 Tb1 37.57(12) . . ?
O13 Tb2 N3 120.21(18) . . ?
O13 Tb2 N6 142.57(18) . . ?
N3 Tb2 Tb3 162.35(13) . . ?
N3 Tb2 Tb1 97.69(13) . . ?
N3 Tb2 N6 63.32(18) . . ?
N6 Tb2 Tb3 99.03(13) . . ?
N6 Tb2 Tb1 158.55(13) . . ?
Tb2 Tb3 Tb4 73.832(10) . . ?
O22 Tb3 Tb4 32.60(13) . . ?
O22 Tb3 Tb2 104.35(13) . . ?
O22 Tb3 O21 71.13(17) . . ?
O22 Tb3 O3 140.31(18) . . ?
O22 Tb3 O14 88.05(18) . . ?
O22 Tb3 O10 95.61(18) . . ?
O22 Tb3 N8 155.85(18) . . ?
O21 Tb3 Tb4 38.54(10) . . ?
O21 Tb3 Tb2 38.49(11) . . ?
O21 Tb3 N8 128.91(17) . . ?
O3 Tb3 Tb4 108.32(12) . . ?
O3 Tb3 Tb2 36.43(12) . . ?
O3 Tb3 O21 70.07(16) . . ?
O3 Tb3 O14 77.74(18) . . ?
O3 Tb3 N8 63.01(17) . . ?
O14 Tb3 Tb4 84.02(13) . . ?
O14 Tb3 Tb2 62.46(13) . . ?
O14 Tb3 O21 80.52(17) . . ?
O14 Tb3 N8 107.09(18) . . ?
O10 Tb3 Tb4 88.78(13) . . ?
O10 Tb3 Tb2 98.12(12) . . ?
O10 Tb3 O21 82.56(17) . . ?
O10 Tb3 O3 87.43(18) . . ?
O10 Tb3 O14 160.49(18) . . ?
O10 Tb3 N8 76.48(19) . . ?
O4 Tb3 Tb4 118.77(13) . . ?
O4 Tb3 Tb2 159.32(14) . . ?
O4 Tb3 O22 86.21(18) . . ?
O4 Tb3 O21 157.28(17) . . ?
O4 Tb3 O3 132.57(18) . . ?
O4 Tb3 O14 100.89(19) . . ?
O4 Tb3 O10 98.47(19) . . ?
O4 Tb3 N8 72.72(19) . . ?
N8 Tb3 Tb4 162.89(14) . . ?
N8 Tb3 Tb2 99.39(13) . . ?
O6 Tb5 O17 124.17(18) . . ?
O6 Tb5 O18 76.76(18) . . ?
O6 Tb5 N9 65.01(18) . . ?
O6 Tb5 C70 99.9(2) . . ?
O16 Tb5 O6 64.94(17) . . ?
O16 Tb5 O17 81.59(19) . . ?
O16 Tb5 O18 80.40(19) . . ?
O16 Tb5 N9 128.18(19) . . ?
O16 Tb5 C70 77.1(2) . . ?
O11 Tb5 O6 132.67(17) . . ?
O11 Tb5 O16 79.17(18) . . ?
O11 Tb5 O17 76.29(19) . . ?
O11 Tb5 O18 127.94(19) . . ?
O11 Tb5 N9 149.3(2) . . ?
O11 Tb5 C70 101.0(2) . . ?
O9 Tb5 O6 75.06(17) . . ?
O9 Tb5 O16 93.33(18) . . ?
O9 Tb5 O11 77.46(18) . . ?
O9 Tb5 O17 153.74(19) . . ?
O9 Tb5 O18 151.10(19) . . ?
O9 Tb5 N9 86.3(2) . . ?
O9 Tb5 C70 170.4(2) . . ?
O5 Tb5 O6 135.14(18) . . ?
O5 Tb5 O16 159.54(19) . . ?
O5 Tb5 O11 81.78(19) . . ?
O5 Tb5 O9 89.8(2) . . ?
O5 Tb5 O17 86.7(2) . . ?
O5 Tb5 O18 105.9(2) . . ?
O5 Tb5 N9 72.2(2) . . ?
O5 Tb5 C70 99.4(2) . . ?
O17 Tb5 O18 53.60(19) . . ?
O17 Tb5 N9 117.1(2) . . ?
O17 Tb5 C70 26.5(2) . . ?
O18 Tb5 N9 76.1(2) . . ?
O18 Tb5 C70 27.4(2) . . ?
N9 Tb5 C70 99.0(3) . . ?
O15 Tb1 Tb2 65.30(12) . . ?
O15 Tb1 O2 75.16(17) . . ?
O15 Tb1 O7 64.37(17) . . ?
O15 Tb1 O13 86.81(17) . . ?
O15 Tb1 N16 129.15(19) . . ?
O15 Tb1 N1 85.6(2) . . ?
O2 Tb1 Tb2 32.62(11) . . ?
O2 Tb1 O7 120.33(16) . . ?
O2 Tb1 O13 64.13(16) . . ?
O2 Tb1 N16 140.1(2) . . ?
O2 Tb1 N1 63.26(18) . . ?
O7 Tb1 Tb2 89.24(12) . . ?
O7 Tb1 O13 71.40(17) . . ?
O7 Tb1 N16 65.32(18) . . ?
O7 Tb1 N1 145.1(2) . . ?
O1 Tb1 Tb2 148.92(15) . . ?
O1 Tb1 O15 85.77(19) . . ?
O1 Tb1 O2 131.64(19) . . ?
O1 Tb1 O7 88.09(19) . . ?
O1 Tb1 O13 159.42(18) . . ?
O1 Tb1 O8 105.3(2) . . ?
O1 Tb1 N16 85.7(2) . . ?
O1 Tb1 N1 71.4(2) . . ?
O13 Tb1 Tb2 36.72(11) . . ?
O13 Tb1 N16 84.17(18) . . ?
O13 Tb1 N1 127.05(18) . . ?
O8 Tb1 Tb2 98.71(13) . . ?
O8 Tb1 O15 157.57(18) . . ?
O8 Tb1 O2 83.06(18) . . ?
O8 Tb1 O7 134.04(19) . . ?
O8 Tb1 O13 88.52(18) . . ?
O8 Tb1 N16 72.0(2) . . ?
O8 Tb1 N1 79.8(2) . . ?
N16 Tb1 Tb2 120.88(15) . . ?
N16 Tb1 N1 137.3(2) . . ?
N1 Tb1 Tb2 94.17(14) . . ?
Tb1 O15 Tb4 111.68(19) . . ?
C68 O15 Tb4 96.8(4) . . ?
C68 O15 Tb1 150.9(5) . . ?
Tb3 O22 Tb4 115.0(2) . . ?
Tb5 O6 Tb4 117.67(19) . . ?
C38 O6 Tb4 125.9(4) . . ?
C38 O6 Tb5 115.9(4) . . ?
Tb5 O16 Tb4 111.4(2) . . ?
C68 O16 Tb4 96.9(5) . . ?
C68 O16 Tb5 146.8(5) . . ?
Tb2 O2 Tb1 113.67(19) . . ?
C8 O2 Tb2 125.3(4) . . ?
C8 O2 Tb1 120.7(4) . . ?
Tb2 O21 Tb4 140.0(2) . . ?
Tb2 O21 Tb3 102.84(17) . . ?
Tb3 O21 Tb4 103.27(17) . . ?
Tb1 O7 Tb4 119.1(2) . . ?
C53 O7 Tb4 123.3(4) . . ?
C53 O7 Tb1 117.4(4) . . ?
Tb2 O3 Tb3 107.07(18) . . ?
C23 O3 Tb2 129.6(4) . . ?
C23 O3 Tb3 122.6(4) . . ?
C64 O12 Tb2 172.8(5) . . ?
C66 O14 Tb3 143.6(5) . . ?
C62 O10 Tb3 139.2(5) . . ?
C64 O11 Tb5 140.4(5) . . ?
Tb2 O19 H19A 111.9 . . ?
Tb2 O19 H19B 111.6 . . ?
H19A O19 H19B 102.0 . . ?
C1 O1 Tb1 146.2(6) . . ?
C30 O4 Tb3 139.3(5) . . ?
Tb2 O13 Tb1 105.70(19) . . ?
C66 O13 Tb2 116.3(4) . . ?
C66 O13 Tb1 137.5(4) . . ?
C62 O9 Tb5 138.5(5) . . ?
C31 O5 Tb5 145.5(5) . . ?
Tb4 O20 H20 118.4(16) . . ?
C71 O20 Tb4 129.4(5) . . ?
C71 O20 H20 108.0(17) . . ?
C13 N3 Tb2 121.9(4) . . ?
C9 N3 Tb2 119.8(5) . . ?
C9 N3 C13 117.7(6) . . ?
C70 O17 Tb5 93.6(5) . . ?
C23 N7 N8 108.9(6) . . ?
C49 N14 Tb4 122.4(5) . . ?
C50 N14 Tb4 118.9(5) . . ?
C50 N14 C49 118.3(6) . . ?
C20 N6 Tb2 119.6(4) . . ?
C20 N6 C19 119.3(6) . . ?
C19 N6 Tb2 121.1(4) . . ?
C60 O8 Tb1 141.2(5) . . ?
C70 O18 Tb5 92.1(5) . . ?
N7 N8 Tb3 118.2(4) . . ?
C24 N8 Tb3 128.4(5) . . ?
C24 N8 N7 111.8(6) . . ?
C39 N11 Tb4 120.2(5) . . ?
C39 N11 C43 117.4(6) . . ?
C43 N11 Tb4 122.0(5) . . ?
C53 N15 N16 112.2(6) . . ?
N15 N16 Tb1 117.6(4) . . ?
C54 N16 Tb1 131.9(5) . . ?
C54 N16 N15 110.5(6) . . ?
C15 N4 C14 115.4(7) . . ?
C38 N10 N9 111.6(6) . . ?
C45 N12 C44 116.9(7) . . ?
N2 N1 Tb1 117.0(4) . . ?
C7 N1 Tb1 132.2(6) . . ?
C7 N1 N2 110.7(7) . . ?
N6 C20 C23 113.0(6) . . ?
N6 C20 C21 121.2(6) . . ?
C21 C20 C23 125.8(6) . . ?
C74 O25 H25 109.5 . . ?
C8 N2 N1 111.1(6) . . ?
C46 N13 C47 115.8(7) . . ?
O15 C68 O16 117.5(7) . . ?
O15 C68 C67 122.4(7) . . ?
O16 C68 C67 120.0(7) . . ?
C16 N5 C17 116.3(7) . . ?
N8 C24 H24 116.9 . . ?
N8 C24 C25 126.1(7) . . ?
C25 C24 H24 116.9 . . ?
N10 N9 Tb5 117.1(4) . . ?
C37 N9 Tb5 129.5(5) . . ?
C37 N9 N10 112.9(6) . . ?
O6 C38 N10 127.4(7) . . ?
O6 C38 C39 117.0(6) . . ?
N10 C38 C39 115.5(6) . . ?
C43 C42 C41 118.2(7) . . ?
C43 C42 C44 119.4(7) . . ?
C41 C42 C44 122.3(7) . . ?
O12 C64 C63 117.4(7) . . ?
O11 C64 O12 124.1(7) . . ?
O11 C64 C63 118.4(7) . . ?
N3 C13 C19 116.2(6) . . ?
N3 C13 C12 123.3(7) . . ?
C12 C13 C19 120.4(7) . . ?
N11 C39 C38 114.0(6) . . ?
N11 C39 C40 123.5(6) . . ?
C40 C39 C38 122.5(6) . . ?
N6 C19 C13 117.0(6) . . ?
N6 C19 C18 122.4(6) . . ?
C18 C19 C13 120.6(6) . . ?
O3 C23 N7 125.3(6) . . ?
O3 C23 C20 114.8(6) . . ?
N7 C23 C20 119.9(6) . . ?
N11 C43 C42 123.3(7) . . ?
N11 C43 C49 116.5(6) . . ?
C42 C43 C49 120.2(7) . . ?
N14 C49 C43 116.9(6) . . ?
N14 C49 C48 122.0(7) . . ?
C48 C49 C43 121.0(7) . . ?
C42 C41 H41 120.8 . . ?
C40 C41 C42 118.3(7) . . ?
C40 C41 H41 120.8 . . ?
N14 C50 C53 114.8(7) . . ?
N14 C50 C51 123.5(7) . . ?
C51 C50 C53 121.6(7) . . ?
N13 C47 C44 121.0(7) . . ?
N13 C47 C48 119.0(7) . . ?
C44 C47 C48 120.0(7) . . ?
N3 C9 C8 112.1(6) . . ?
N3 C9 C10 123.7(7) . . ?
C10 C9 C8 124.2(7) . . ?
O7 C53 C50 117.6(6) . . ?
N15 C53 O7 126.7(7) . . ?
N15 C53 C50 115.7(7) . . ?
O14 C66 O13 121.8(7) . . ?
O14 C66 C65 119.4(7) . . ?
O13 C66 C65 118.8(7) . . ?
C13 C12 C11 115.7(7) . . ?
C13 C12 C14 119.7(7) . . ?
C11 C12 C14 124.6(7) . . ?
N5 C17 C14 121.0(6) . . ?
N5 C17 C18 117.8(6) . . ?
C14 C17 C18 121.2(6) . . ?
O10 C62 C61 116.6(7) . . ?
O9 C62 O10 123.6(7) . . ?
O9 C62 C61 119.8(7) . . ?
C30 C25 C24 124.0(7) . . ?
C26 C25 C24 116.6(7) . . ?
C26 C25 C30 119.4(7) . . ?
N12 C44 C42 118.3(7) . . ?
N12 C44 C47 121.5(7) . . ?
C47 C44 C42 120.2(6) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 119.8(7) . . ?
C22 C21 H21 120.1 . . ?
C12 C11 H11 119.5 . . ?
C10 C11 C12 121.0(7) . . ?
C10 C11 H11 119.5 . . ?
O2 C8 C9 116.4(6) . . ?
N2 C8 O2 124.6(7) . . ?
N2 C8 C9 119.0(7) . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
N4 C14 C12 118.2(7) . . ?
N4 C14 C17 122.4(7) . . ?
C17 C14 C12 119.4(6) . . ?
C19 C18 C17 118.7(6) . . ?
C19 C18 C22 117.8(6) . . ?
C22 C18 C17 123.5(7) . . ?
O4 C30 C25 122.5(7) . . ?
O4 C30 C29 120.1(7) . . ?
C29 C30 C25 117.4(7) . . ?
O17 C70 Tb5 60.0(4) . . ?
O17 C70 O18 119.6(8) . . ?
O17 C70 C69 122.4(9) . . ?
O18 C70 Tb5 60.5(4) . . ?
O18 C70 C69 118.0(8) . . ?
C69 C70 Tb5 170.4(7) . . ?
C39 C40 H40 120.5 . . ?
C41 C40 C39 119.1(7) . . ?
C41 C40 H40 120.5 . . ?
C50 C51 H51 120.9 . . ?
C52 C51 C50 118.3(7) . . ?
C52 C51 H51 120.9 . . ?
N4 C15 H15 118.1 . . ?
N4 C15 C16 123.7(7) . . ?
C16 C15 H15 118.1 . . ?
C30 C29 H29 119.2 . . ?
C28 C29 C30 121.7(8) . . ?
C28 C29 H29 119.2 . . ?
C73 O24 H24A 109.5 . . ?
C9 C10 H10 120.8 . . ?
C11 C10 C9 118.4(7) . . ?
C11 C10 H10 120.8 . . ?
N5 C16 C15 121.1(7) . . ?
N5 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C49 C48 C47 119.1(7) . . ?
C52 C48 C49 118.3(7) . . ?
C52 C48 C47 122.5(7) . . ?
C72 O23 H23 109.5 . . ?
N16 C54 H54 117.1 . . ?
N16 C54 C55 125.8(8) . . ?
C55 C54 H54 117.1 . . ?
C21 C22 C18 119.3(7) . . ?
C21 C22 H22 120.3 . . ?
C18 C22 H22 120.3 . . ?
C25 C26 H26 119.0 . . ?
C27 C26 C25 122.0(9) . . ?
C27 C26 H26 119.0 . . ?
O1 C1 C6 121.4(8) . . ?
O1 C1 C2 119.9(9) . . ?
C6 C1 C2 118.6(9) . . ?
O8 C60 C59 120.7(7) . . ?
O8 C60 C55 122.7(7) . . ?
C59 C60 C55 116.6(7) . . ?
C29 C28 H28 120.1 . . ?
C29 C28 C27 119.8(8) . . ?
C27 C28 H28 120.1 . . ?
C60 C59 H59 119.1 . . ?
C58 C59 C60 121.7(8) . . ?
C58 C59 H59 119.1 . . ?
C60 C55 C54 122.9(7) . . ?
C56 C55 C54 117.3(8) . . ?
C56 C55 C60 119.8(7) . . ?
C51 C52 C48 119.5(7) . . ?
C51 C52 H52 120.3 . . ?
C48 C52 H52 120.3 . . ?
N12 C45 H45 119.5 . . ?
N12 C45 C46 121.1(8) . . ?
C46 C45 H45 119.5 . . ?
N13 C46 C45 123.8(8) . . ?
N13 C46 H46 118.1 . . ?
C45 C46 H46 118.1 . . ?
N1 C7 H7 117.7 . . ?
N1 C7 C6 124.5(9) . . ?
C6 C7 H7 117.7 . . ?
O5 C31 C32 120.4(8) . . ?
O5 C31 C36 122.1(7) . . ?
C36 C31 C32 117.6(7) . . ?
O20 C71 H71A 109.5 . . ?
O20 C71 H71B 109.5 . . ?
O20 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C66 C65 H65A 109.5 . . ?
C66 C65 H65B 109.5 . . ?
C66 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N9 C37 H37 115.1 . . ?
N9 C37 C36 129.9(8) . . ?
C36 C37 H37 115.1 . . ?
C26 C27 C28 119.7(8) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C55 C56 H56 118.8 . . ?
C57 C56 C55 122.4(9) . . ?
C57 C56 H56 118.8 . . ?
C31 C32 H32 119.5 . . ?
C33 C32 C31 121.1(9) . . ?
C33 C32 H32 119.5 . . ?
C1 C6 C7 124.1(8) . . ?
C1 C6 C5 120.1(10) . . ?
C5 C6 C7 115.8(10) . . ?
C31 C36 C37 120.0(7) . . ?
C31 C36 C35 120.2(8) . . ?
C35 C36 C37 119.7(8) . . ?
C59 C58 H58 119.6 . . ?
C59 C58 C57 120.9(8) . . ?
C57 C58 H58 119.6 . . ?
C56 C57 C58 118.5(8) . . ?
C56 C57 H57 120.8 . . ?
C58 C57 H57 120.8 . . ?
C70 C69 H69A 109.5 . . ?
C70 C69 H69B 109.5 . . ?
C70 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
O24 C73 H73A 109.5 . . ?
O24 C73 H73B 109.5 . . ?
O24 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.6(12) . . ?
C3 C2 H2 119.7 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O25 C74 H74A 109.5 . . ?
O25 C74 H74B 109.5 . . ?
O25 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C6 C5 H5 120.5 . . ?
C4 C5 C6 119.1(13) . . ?
C4 C5 H5 120.5 . . ?
C36 C35 H35 119.4 . . ?
C34 C35 C36 121.2(9) . . ?
C34 C35 H35 119.4 . . ?
C32 C33 H33 119.1 . . ?
C32 C33 C34 121.7(9) . . ?
C34 C33 H33 119.1 . . ?
C35 C34 C33 118.3(9) . . ?
C35 C34 H34 120.9 . . ?
C33 C34 H34 120.9 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.8(12) . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 120.8(13) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
O23 C72 H72A 109.5 . . ?
O23 C72 H72B 109.5 . . ?
O23 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Tb4 O15 C68 O16 -5.7(7) . . . . ?
Tb4 O15 C68 C67 173.1(6) . . . . ?
Tb4 O6 C38 N10 -173.9(6) . . . . ?
Tb4 O6 C38 C39 5.9(10) . . . . ?
Tb4 O16 C68 O15 5.7(7) . . . . ?
Tb4 O16 C68 C67 -173.1(6) . . . . ?
Tb4 O7 C53 N15 168.8(6) . . . . ?
Tb4 O7 C53 C50 -12.7(9) . . . . ?
Tb4 N14 C49 C43 -6.9(9) . . . . ?
Tb4 N14 C49 C48 171.8(5) . . . . ?
Tb4 N14 C50 C53 7.4(9) . . . . ?
Tb4 N14 C50 C51 -172.9(6) . . . . ?
Tb4 N11 C39 C38 -2.4(8) . . . . ?
Tb4 N11 C39 C40 176.1(5) . . . . ?
Tb4 N11 C43 C42 -176.0(5) . . . . ?
Tb4 N11 C43 C49 3.3(9) . . . . ?
Tb2 O2 C8 N2 160.5(6) . . . . ?
Tb2 O2 C8 C9 -16.6(9) . . . . ?
Tb2 O3 C23 N7 177.6(5) . . . . ?
Tb2 O3 C23 C20 -2.2(9) . . . . ?
Tb2 O13 C66 O14 -36.7(9) . . . . ?
Tb2 O13 C66 C65 140.5(6) . . . . ?
Tb2 N3 C13 C19 -6.8(8) . . . . ?
Tb2 N3 C13 C12 174.0(5) . . . . ?
Tb2 N3 C9 C8 5.1(8) . . . . ?
Tb2 N3 C9 C10 -175.8(6) . . . . ?
Tb2 N6 C20 C23 -4.3(8) . . . . ?
Tb2 N6 C20 C21 176.8(6) . . . . ?
Tb2 N6 C19 C13 4.3(8) . . . . ?
Tb2 N6 C19 C18 -175.2(5) . . . . ?
Tb3 O3 C23 N7 -13.1(10) . . . . ?
Tb3 O3 C23 C20 167.1(4) . . . . ?
Tb3 O14 C66 O13 -18.4(13) . . . . ?
Tb3 O14 C66 C65 164.4(6) . . . . ?
Tb3 O10 C62 O9 -12.6(12) . . . . ?
Tb3 O10 C62 C61 165.1(6) . . . . ?
Tb3 O4 C30 C25 27.1(11) . . . . ?
Tb3 O4 C30 C29 -153.7(6) . . . . ?
Tb3 N8 C24 C25 -14.2(11) . . . . ?
Tb5 O6 C38 N10 14.6(11) . . . . ?
Tb5 O6 C38 C39 -165.6(5) . . . . ?
Tb5 O16 C68 O15 -142.9(7) . . . . ?
Tb5 O16 C68 C67 38.3(13) . . . . ?
Tb5 O11 C64 O12 2.1(14) . . . . ?
Tb5 O11 C64 C63 -176.3(7) . . . . ?
Tb5 O9 C62 O10 -117.8(8) . . . . ?
Tb5 O9 C62 C61 64.6(10) . . . . ?
Tb5 O5 C31 C32 177.6(7) . . . . ?
Tb5 O5 C31 C36 -3.9(15) . . . . ?
Tb5 O17 C70 O18 -11.0(8) . . . . ?
Tb5 O17 C70 C69 169.1(8) . . . . ?
Tb5 O18 C70 O17 10.9(8) . . . . ?
Tb5 O18 C70 C69 -169.1(8) . . . . ?
Tb5 N9 C37 C36 12.2(14) . . . . ?
Tb1 O15 C68 O16 162.1(6) . . . . ?
Tb1 O15 C68 C67 -19.1(14) . . . . ?
Tb1 O2 C8 N2 -12.8(10) . . . . ?
Tb1 O2 C8 C9 170.1(5) . . . . ?
Tb1 O7 C53 N15 -6.3(10) . . . . ?
Tb1 O7 C53 C50 172.2(5) . . . . ?
Tb1 O1 C1 C6 -3.2(15) . . . . ?
Tb1 O1 C1 C2 178.3(7) . . . . ?
Tb1 O13 C66 O14 134.1(6) . . . . ?
Tb1 O13 C66 C65 -48.6(10) . . . . ?
Tb1 O8 C60 C59 -156.8(6) . . . . ?
Tb1 O8 C60 C55 23.0(13) . . . . ?
Tb1 N16 C54 C55 -3.4(13) . . . . ?
Tb1 N1 N2 C8 15.3(8) . . . . ?
Tb1 N1 C7 C6 -2.1(15) . . . . ?
O6 C38 C39 N11 -1.8(10) . . . . ?
O6 C38 C39 C40 179.6(7) . . . . ?
O1 C1 C6 C7 2.8(15) . . . . ?
O1 C1 C6 C5 -179.7(11) . . . . ?
O1 C1 C2 C3 178.3(10) . . . . ?
O4 C30 C29 C28 -179.7(7) . . . . ?
O5 C31 C32 C33 178.4(11) . . . . ?
O5 C31 C36 C37 2.0(14) . . . . ?
O5 C31 C36 C35 -179.8(10) . . . . ?
N3 C13 C19 N6 1.5(10) . . . . ?
N3 C13 C19 C18 -178.9(7) . . . . ?
N3 C13 C12 C11 0.6(11) . . . . ?
N3 C13 C12 C14 179.2(7) . . . . ?
N3 C9 C8 O2 6.2(10) . . . . ?
N3 C9 C8 N2 -171.1(7) . . . . ?
N3 C9 C10 C11 2.6(13) . . . . ?
N7 N8 C24 C25 -179.5(7) . . . . ?
N14 C49 C48 C47 178.4(7) . . . . ?
N14 C49 C48 C52 1.7(11) . . . . ?
N14 C50 C53 O7 2.7(10) . . . . ?
N14 C50 C53 N15 -178.6(7) . . . . ?
N14 C50 C51 C52 0.0(13) . . . . ?
N6 C20 C23 O3 4.1(9) . . . . ?
N6 C20 C23 N7 -175.7(6) . . . . ?
N6 C20 C21 C22 -0.9(12) . . . . ?
N6 C19 C18 C17 178.5(7) . . . . ?
N6 C19 C18 C22 -2.0(11) . . . . ?
O8 C60 C59 C58 -177.1(8) . . . . ?
O8 C60 C55 C54 -1.9(13) . . . . ?
O8 C60 C55 C56 177.4(8) . . . . ?
N8 N7 C23 O3 1.4(10) . . . . ?
N8 N7 C23 C20 -178.8(6) . . . . ?
N8 C24 C25 C30 -2.3(13) . . . . ?
N8 C24 C25 C26 177.0(8) . . . . ?
N11 C39 C40 C41 -0.5(12) . . . . ?
N11 C43 C49 N14 2.3(10) . . . . ?
N11 C43 C49 C48 -176.5(7) . . . . ?
N15 N16 C54 C55 177.8(7) . . . . ?
N16 N15 C53 O7 -0.6(11) . . . . ?
N16 N15 C53 C50 -179.1(6) . . . . ?
N16 C54 C55 C60 -5.4(13) . . . . ?
N16 C54 C55 C56 175.2(8) . . . . ?
N4 C15 C16 N5 0.4(12) . . . . ?
N10 N9 C37 C36 -176.5(8) . . . . ?
N10 C38 C39 N11 178.0(7) . . . . ?
N10 C38 C39 C40 -0.5(11) . . . . ?
N12 C45 C46 N13 -0.6(14) . . . . ?
N1 N2 C8 O2 -2.5(11) . . . . ?
N1 N2 C8 C9 174.5(6) . . . . ?
N1 C7 C6 C1 -0.4(17) . . . . ?
N1 C7 C6 C5 -178.0(11) . . . . ?
C20 N6 C19 C13 -177.9(6) . . . . ?
C20 N6 C19 C18 2.5(11) . . . . ?
C20 C21 C22 C18 1.4(12) . . . . ?
N2 N1 C7 C6 177.6(9) . . . . ?
N13 C47 C44 N12 2.1(12) . . . . ?
N13 C47 C44 C42 -177.4(7) . . . . ?
N13 C47 C48 C49 179.8(7) . . . . ?
N13 C47 C48 C52 -3.7(12) . . . . ?
N5 C17 C14 N4 -1.7(11) . . . . ?
N5 C17 C14 C12 179.5(7) . . . . ?
N5 C17 C18 C19 -179.2(7) . . . . ?
N5 C17 C18 C22 1.4(11) . . . . ?
C24 C25 C30 O4 -0.7(12) . . . . ?
C24 C25 C30 C29 -179.9(7) . . . . ?
C24 C25 C26 C27 180.0(8) . . . . ?
N9 N10 C38 O6 -1.1(12) . . . . ?
N9 N10 C38 C39 179.1(6) . . . . ?
N9 C37 C36 C31 -7.4(15) . . . . ?
N9 C37 C36 C35 174.5(11) . . . . ?
C38 N10 N9 Tb5 -12.8(8) . . . . ?
C38 N10 N9 C37 174.7(7) . . . . ?
C38 C39 C40 C41 177.9(7) . . . . ?
C42 C43 C49 N14 -178.4(7) . . . . ?
C42 C43 C49 C48 2.9(11) . . . . ?
C42 C41 C40 C39 -2.0(11) . . . . ?
C13 N3 C9 C8 176.3(6) . . . . ?
C13 N3 C9 C10 -4.7(11) . . . . ?
C13 C19 C18 C17 -1.1(10) . . . . ?
C13 C19 C18 C22 178.4(7) . . . . ?
C13 C12 C11 C10 -2.8(12) . . . . ?
C13 C12 C14 N4 -178.4(7) . . . . ?
C13 C12 C14 C17 0.5(11) . . . . ?
C39 N11 C43 C42 -3.1(11) . . . . ?
C39 N11 C43 C49 176.2(6) . . . . ?
C19 N6 C20 C23 177.9(6) . . . . ?
C19 N6 C20 C21 -1.0(11) . . . . ?
C19 C13 C12 C11 -178.6(7) . . . . ?
C19 C13 C12 C14 -0.1(11) . . . . ?
C19 C18 C22 C21 0.0(11) . . . . ?
C23 N7 N8 Tb3 9.4(7) . . . . ?
C23 N7 N8 C24 176.4(6) . . . . ?
C23 C20 C21 C22 -179.7(7) . . . . ?
C43 N11 C39 C38 -175.5(6) . . . . ?
C43 N11 C39 C40 3.0(11) . . . . ?
C43 C42 C41 C40 1.9(11) . . . . ?
C43 C42 C44 N12 178.5(7) . . . . ?
C43 C42 C44 C47 -1.9(11) . . . . ?
C43 C49 C48 C47 -3.0(11) . . . . ?
C43 C49 C48 C52 -179.6(7) . . . . ?
C49 N14 C50 C53 -179.1(6) . . . . ?
C49 N14 C50 C51 0.6(12) . . . . ?
C49 C48 C52 C51 -1.0(12) . . . . ?
C41 C42 C43 N11 0.7(11) . . . . ?
C41 C42 C43 C49 -178.6(7) . . . . ?
C41 C42 C44 N12 -3.3(11) . . . . ?
C41 C42 C44 C47 176.2(7) . . . . ?
C50 N14 C49 C43 179.8(7) . . . . ?
C50 N14 C49 C48 -1.5(11) . . . . ?
C50 C51 C52 C48 0.2(12) . . . . ?
C47 N13 C46 C45 1.7(13) . . . . ?
C47 C48 C52 C51 -177.6(8) . . . . ?
C9 N3 C13 C19 -177.8(6) . . . . ?
C9 N3 C13 C12 3.0(11) . . . . ?
C53 N15 N16 Tb1 7.0(8) . . . . ?
C53 N15 N16 C54 -174.0(7) . . . . ?
C53 C50 C51 C52 179.7(8) . . . . ?
C12 C13 C19 N6 -179.2(7) . . . . ?
C12 C13 C19 C18 0.4(11) . . . . ?
C12 C11 C10 C9 1.4(13) . . . . ?
C17 N5 C16 C15 -2.2(11) . . . . ?
C17 C18 C22 C21 179.5(7) . . . . ?
C25 C30 C29 C28 -0.5(11) . . . . ?
C25 C26 C27 C28 0.1(14) . . . . ?
C44 N12 C45 C46 0.2(12) . . . . ?
C44 C42 C43 N11 178.9(7) . . . . ?
C44 C42 C43 C49 -0.4(11) . . . . ?
C44 C42 C41 C40 -176.3(7) . . . . ?
C44 C47 C48 C49 0.6(11) . . . . ?
C44 C47 C48 C52 177.1(7) . . . . ?
C21 C20 C23 O3 -177.0(7) . . . . ?
C21 C20 C23 N7 3.2(12) . . . . ?
C11 C12 C14 N4 0.0(11) . . . . ?
C11 C12 C14 C17 178.9(7) . . . . ?
C8 C9 C10 C11 -178.5(8) . . . . ?
C14 N4 C15 C16 0.8(11) . . . . ?
C14 C12 C11 C10 178.8(8) . . . . ?
C14 C17 C18 C19 1.5(11) . . . . ?
C14 C17 C18 C22 -177.9(7) . . . . ?
C18 C17 C14 N4 177.6(7) . . . . ?
C18 C17 C14 C12 -1.3(10) . . . . ?
C30 C25 C26 C27 -0.7(13) . . . . ?
C30 C29 C28 C27 -0.1(12) . . . . ?
C51 C50 C53 O7 -177.0(7) . . . . ?
C51 C50 C53 N15 1.6(11) . . . . ?
C15 N4 C14 C12 178.7(7) . . . . ?
C15 N4 C14 C17 -0.1(10) . . . . ?
C29 C28 C27 C26 0.3(13) . . . . ?
C10 C9 C8 O2 -172.9(8) . . . . ?
C10 C9 C8 N2 9.8(12) . . . . ?
C16 N5 C17 C14 2.8(11) . . . . ?
C16 N5 C17 C18 -176.5(7) . . . . ?
C48 C47 C44 N12 -178.6(7) . . . . ?
C48 C47 C44 C42 1.9(11) . . . . ?
C54 C55 C56 C57 -178.6(9) . . . . ?
C26 C25 C30 O4 -180.0(7) . . . . ?
C26 C25 C30 C29 0.9(11) . . . . ?
C1 C6 C5 C4 2(2) . . . . ?
C1 C2 C3 C4 1(2) . . . . ?
C60 C59 C58 C57 -2.5(14) . . . . ?
C60 C55 C56 C57 2.0(14) . . . . ?
C59 C60 C55 C54 177.9(8) . . . . ?
C59 C60 C55 C56 -2.7(12) . . . . ?
C59 C58 C57 C56 1.5(15) . . . . ?
C55 C60 C59 C58 3.0(12) . . . . ?
C55 C56 C57 C58 -1.3(15) . . . . ?
C45 N12 C44 C42 178.6(7) . . . . ?
C45 N12 C44 C47 -0.9(11) . . . . ?
C46 N13 C47 C44 -2.4(11) . . . . ?
C46 N13 C47 C48 178.4(7) . . . . ?
C7 N1 N2 C8 -164.5(8) . . . . ?
C7 C6 C5 C4 179.8(15) . . . . ?
C31 C32 C33 C34 2(2) . . . . ?
C31 C36 C35 C34 1(2) . . . . ?
C37 C36 C35 C34 179.4(12) . . . . ?
C32 C31 C36 C37 -179.4(9) . . . . ?
C32 C31 C36 C35 -1.2(15) . . . . ?
C32 C33 C34 C35 -2(2) . . . . ?
C6 C1 C2 C3 -0.3(16) . . . . ?
C6 C5 C4 C3 -2(3) . . . . ?
C36 C31 C32 C33 -0.3(16) . . . . ?
C36 C35 C34 C33 0(2) . . . . ?
C2 C1 C6 C7 -178.6(9) . . . . ?
C2 C1 C6 C5 -1.1(16) . . . . ?
C2 C3 C4 C5 0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
