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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_Dy6
_database_code_depnum_ccdc_archive 'CCDC 1507720'
loop_
_audit_author_name
_audit_author_address
'Li lixl'
'Changchun Institute of Applied Chemistry Chinese Academy of Sciences'
_audit_update_record             
;
2022-07-15 deposited with the CCDC.	2022-07-21 downloaded from the CCDC.
;
_audit_creation_date             2016-03-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C127 H146 Dy6 N40 O48, C6 H15 N, 7(C H4 O), 3(C H3 O), 2(N O3), 11(O)'
_chemical_formula_sum            'C143 H198 Dy6 N43 O75'
_chemical_formula_weight         4694.43
_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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   25.480(3)
_cell_length_b                   23.024(3)
_cell_length_c                   39.629(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.666(2)
_cell_angle_gamma                90
_cell_volume                     23247(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9369
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.986
_exptl_absorpt_correction_T_max  0.672
_exptl_absorpt_correction_T_min  0.494
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             9412
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0805
_diffrn_reflns_av_unetI/netI     0.0887
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            143251
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.073
_diffrn_reflns_theta_min         1.294
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_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                28717
_reflns_number_total             45888
_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  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.197
_refine_diff_density_min         -1.716
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2451
_refine_ls_number_reflns         45888
_refine_ls_number_restraints     313
_refine_ls_R_factor_all          0.1076
_refine_ls_R_factor_gt           0.0578
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.053
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0743P)²+79.3048P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1417
_refine_ls_wR_factor_ref         0.1678
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H19A of O19, H12M of O12, H6 of O6, H27 of O27, H42 of O42,
   H46 of O46, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H7 of O7, H52A of O52, H61 of O61, H62 of O62, H63A of
  O63, H71 of O71, H73A of O73, H81 of O81, All O(H,H) groups
2. Restrained distances
 C133-O81
 1.43 with sigma of 0.02
 C144-O76
 1.43 with sigma of 0.02
 C134-O52
 1.43 with sigma of 0.02
 C135-O71
 1.43 with sigma of 0.02
 C143-O74
 1.43 with sigma of 0.02
 C137-O61
 1.43 with sigma of 0.02
 C139-O73
 1.43 with sigma of 0.02
 C138-O64
 1.43 with sigma of 0.02
 O7-H7
 0.85 with sigma of 0.01
 C146-H7
 1.991958 with sigma of 0.02
 Dy1-H7
 2.914892 with sigma of 0.02
3. Rigid bond restraints
 O42, C145
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O7, C146
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
Uanis(C146) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C144)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C1) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C100)
\\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C102) \\sim Ueq, Uanis(C103) \\sim Ueq,
Uanis(C104) \\sim Ueq, Uanis(C105) \\sim Ueq, Uanis(C120) \\sim Ueq,
Uanis(C121) \\sim Ueq, Uanis(C122) \\sim Ueq, Uanis(C123) \\sim Ueq,
Uanis(C124) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C126) \\sim Ueq,
Uanis(C133) \\sim Ueq, Uanis(C134) \\sim Ueq, Uanis(C135) \\sim Ueq,
Uanis(C143) \\sim Ueq, Uanis(C144) \\sim Ueq, Uanis(C145) \\sim Ueq,
Uanis(C146) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N41) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O7) \\sim
Ueq, Uanis(O11) \\sim Ueq, Uanis(O24) \\sim Ueq, Uanis(O35) \\sim Ueq,
Uanis(O70) \\sim Ueq, Uanis(O71) \\sim Ueq, Uanis(O72) \\sim Ueq, Uanis(O73)
\\sim Ueq, Uanis(O74) \\sim Ueq, Uanis(O75) \\sim Ueq, Uanis(O76) \\sim Ueq,
Uanis(O77) \\sim Ueq, Uanis(O78) \\sim Ueq, Uanis(O79) \\sim Ueq, Uanis(O80)
\\sim Ueq, Uanis(O81) \\sim Ueq, Uanis(O82) \\sim Ueq, Uanis(O83) \\sim Ueq,
Uanis(O53) \\sim Ueq, Uanis(O55) \\sim Ueq, Uanis(O61) \\sim Ueq, Uanis(O67)
\\sim Ueq, Uanis(O68) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
5.a Rotating group:
 O13(H13H,H13I), O18(H18A,H18B), O31(H31A,H31B), O36(H36B,H36C), O37(H37A,H37B)
5.b Secondary CH2 refined with riding coordinates:
 C121(H12N,H12O), C123(H12S,H12T), C125(H12X,H12Y)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C10(H10), C12(H12), C13(H13), C15(H15),
 C16(H16), C17(H17), C23(H23), C24(H24), C25(H25), C28(H28), C30(H30), C32(H32),
  C33(H33), C35(H35), C36(H36), C37(H37), C43(H43), C44(H44), C45(H45),
 C48(H48), C50(H50), C52(H52), C53(H53), C55(H55), C56(H56), C57(H57), C63(H63),
  C64(H64), C65(H65), C68(H68), C70(H70), C72(H72), C73(H73), C75(H75),
 C76(H76), C77(H77), C83(H83), C84(H84), C85(H85), C88(H88), C90(H90), C92(H92),
  C93(H93), C95(H95), C96(H96), C97(H97), C103(H103), C104(H104), C105(H105),
 C108(H108), C110(H110), C112(H112), C113(H113), C115(H115), C116(H116),
 C117(H117), N2(H2), N5(H5A), N10(H10G), N13(H13G), N16(H16A), N19(H19),
 N22(H22), N26(H26), N30(H30A), N33(H33A), N36(H36A), N39(H39), O6(H6),
 O12(H12M), O19(H19A), O27(H27), O42(H42), O46(H46)
5.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C40(H40A,H40B,
 H40C), C41(H41A,H41B,H41C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C), C80(H80A,
 H80B,H80C), C81(H81A,H81B,H81C), C100(H10A,H10B,H10C), C101(H10D,H10E,H10F),
 C120(H12A,H12B,H12C), C122(H12P,H12Q,H12R), C124(H12U,H12V,H12W), C126(H12Z,H,
 HA), C127(H12D,H12E,H12F), C128(H12G,H12H,H12I), C129(H12J,H12K,H12L),
 C130(H13A,H13B,H13C), C131(H13D,H13E,H13F), C133(H13J,H13K,H13L), C134(H13M,
 H13N,H13O), C135(H13P,H13Q,H13R), C136(H13S,H13T,H13U), C137(H13V,H13W,H13X),
 C138(H13Z,HB,HC), C139(H13Y,HD,HE), C140(H14G,H14H,H14I), C143(H14J,H14K,H14L),
  C144(H14M,H14N,H14O), C145(H14A,H14B,H14C), C146(H14D,H14E,H14F)
5.e Idealised tetrahedral OH refined as rotating group:
 O52(H52A), O61(H61), O62(H62), O63(H63A), O71(H71), O73(H73A), O81(H81)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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
C1 C -0.0122(3) 0.1081(5) 0.8113(2) 0.101(3) Uani 1 1 d . U . . .
H1A H -0.0149 0.0697 0.8205 0.151 Uiso 1 1 calc GR . . . .
H1B H -0.0412 0.1151 0.7962 0.151 Uiso 1 1 calc GR . . . .
H1C H -0.0129 0.1360 0.8294 0.151 Uiso 1 1 calc GR . . . .
C2 C 0.0804(2) 0.1117(3) 0.81175(14) 0.0471(17) Uani 1 1 d . . . . .
C3 C 0.0851(2) 0.0935(3) 0.84504(14) 0.0433(16) Uani 1 1 d . . . . .
H3 H 0.0556 0.0812 0.8566 0.052 Uiso 1 1 calc R . . . .
C4 C 0.1337(2) 0.0937(3) 0.86096(14) 0.0432(16) Uani 1 1 d . . . . .
H4 H 0.1369 0.0810 0.8832 0.052 Uiso 1 1 calc R . . . .
C5 C 0.1770(2) 0.1123(2) 0.84430(13) 0.0379(15) Uani 1 1 d . . . . .
H5 H 0.2095 0.1117 0.8552 0.045 Uiso 1 1 calc R . . . .
C6 C 0.1732(2) 0.1327(2) 0.81053(12) 0.0332(14) Uani 1 1 d . . . . .
C7 C 0.1242(2) 0.1318(3) 0.79423(13) 0.0410(16) Uani 1 1 d . . . . .
C8 C 0.2199(2) 0.1544(3) 0.79495(12) 0.0360(15) Uani 1 1 d . . . . .
H8 H 0.2510 0.1513 0.8073 0.043 Uiso 1 1 calc R . . . .
C10 C 0.3324(2) 0.2477(3) 0.72326(12) 0.0366(15) Uani 1 1 d . . . . .
H10 H 0.3591 0.2445 0.7394 0.044 Uiso 1 1 calc R . . . .
C11 C 0.34016(19) 0.2769(3) 0.69344(12) 0.0335(14) Uani 1 1 d . . . . .
C12 C 0.2569(2) 0.2567(2) 0.67720(12) 0.0337(14) Uani 1 1 d . . . . .
H12 H 0.2307 0.2592 0.6607 0.040 Uiso 1 1 calc R . . . .
C13 C 0.43504(19) 0.3682(2) 0.66032(12) 0.0309(13) Uani 1 1 d . . . . .
H13 H 0.4563 0.3646 0.6795 0.037 Uiso 1 1 calc R . . . .
C14 C 0.45175(19) 0.4091(2) 0.63526(12) 0.0312(14) Uani 1 1 d . . . . .
C15 C 0.49413(19) 0.4459(2) 0.64367(13) 0.0333(14) Uani 1 1 d . . . . .
H15 H 0.5114 0.4416 0.6643 0.040 Uiso 1 1 calc R . . . .
C16 C 0.5100(2) 0.4878(3) 0.62180(13) 0.0390(15) Uani 1 1 d . . . . .
H16 H 0.5382 0.5117 0.6275 0.047 Uiso 1 1 calc R . . . .
C17 C 0.48451(19) 0.4951(3) 0.59124(14) 0.0366(15) Uani 1 1 d . . . . .
H17 H 0.4946 0.5248 0.5768 0.044 Uiso 1 1 calc R . . . .
C18 C 0.44403(19) 0.4584(2) 0.58199(12) 0.0311(13) Uani 1 1 d . . . . .
C20 C 0.4346(2) 0.5051(3) 0.52816(14) 0.0448(17) Uani 1 1 d . . . . .
H20A H 0.4328 0.5426 0.5386 0.067 Uiso 1 1 calc GR . . . .
H20B H 0.4124 0.5045 0.5084 0.067 Uiso 1 1 calc GR . . . .
H20C H 0.4702 0.4972 0.5218 0.067 Uiso 1 1 calc GR . . . .
C21 C 0.3118(2) 0.4049(3) 0.53231(12) 0.0441(16) Uani 1 1 d . . . . .
H21A H 0.2944 0.3911 0.5122 0.066 Uiso 1 1 calc GR . . . .
H21B H 0.3478 0.3930 0.5322 0.066 Uiso 1 1 calc GR . . . .
H21C H 0.3099 0.4466 0.5330 0.066 Uiso 1 1 calc GR . . . .
C22 C 0.2333(2) 0.3902(3) 0.56398(13) 0.0400(15) Uani 1 1 d . . . . .
C23 C 0.2049(2) 0.4317(3) 0.54658(14) 0.0483(17) Uani 1 1 d . . . . .
H23 H 0.2214 0.4555 0.5310 0.058 Uiso 1 1 calc R . . . .
C24 C 0.1514(2) 0.4380(3) 0.55239(15) 0.0524(19) Uani 1 1 d . . . . .
H24 H 0.1319 0.4652 0.5402 0.063 Uiso 1 1 calc R . . . .
C25 C 0.1275(2) 0.4036(3) 0.57638(16) 0.0500(18) Uani 1 1 d . . . . .
H25 H 0.0921 0.4089 0.5808 0.060 Uiso 1 1 calc R . . . .
C26 C 0.1558(2) 0.3610(3) 0.59414(13) 0.0383(15) Uani 1 1 d . . . . .
C27 C 0.20927(19) 0.3523(2) 0.58788(13) 0.0328(14) Uani 1 1 d . . . . .
C28 C 0.13017(19) 0.3248(3) 0.61883(12) 0.0359(15) Uani 1 1 d . . . . .
H28 H 0.1503 0.2998 0.6321 0.043 Uiso 1 1 calc R . . . .
C29 C 0.0098(2) 0.2900(3) 0.65379(12) 0.0345(14) Uani 1 1 d . . . . .
C30 C -0.0263(2) 0.3252(2) 0.63757(13) 0.0350(14) Uani 1 1 d . . . . .
H30 H -0.0162 0.3528 0.6218 0.042 Uiso 1 1 calc R . . . .
C31 C -0.0788(2) 0.3172(2) 0.64606(13) 0.0339(14) Uani 1 1 d . . . . .
C32 C -0.05526(19) 0.2486(3) 0.68415(13) 0.0346(14) Uani 1 1 d . . . . .
H32 H -0.0649 0.2227 0.7010 0.041 Uiso 1 1 calc R . . . .
C33 C -0.1994(2) 0.3848(3) 0.63124(14) 0.0406(16) Uani 1 1 d . . . . .
H33 H -0.1844 0.4142 0.6184 0.049 Uiso 1 1 calc R . . . .
C34 C -0.2553(2) 0.3890(3) 0.63768(14) 0.0426(16) Uani 1 1 d . . . . .
C35 C -0.2792(2) 0.4410(3) 0.62703(16) 0.0536(19) Uani 1 1 d . . . . .
H35 H -0.2594 0.4690 0.6160 0.064 Uiso 1 1 calc R . . . .
C36 C -0.3311(3) 0.4506(3) 0.63267(16) 0.062(2) Uani 1 1 d . . . . .
H36 H -0.3465 0.4859 0.6267 0.074 Uiso 1 1 calc R . . . .
C37 C -0.3608(2) 0.4071(3) 0.64743(16) 0.055(2) Uani 1 1 d . . . . .
H37 H -0.3965 0.4130 0.6508 0.066 Uiso 1 1 calc R . . . .
C38 C -0.3384(2) 0.3560(3) 0.65713(13) 0.0474(18) Uani 1 1 d . . . . .
C39 C -0.2841(2) 0.3443(3) 0.65258(12) 0.0344(14) Uani 1 1 d . . . . .
C40 C -0.4214(2) 0.3158(4) 0.67418(19) 0.071(2) Uani 1 1 d . U . . .
H40A H -0.4291 0.3458 0.6902 0.107 Uiso 1 1 calc GR . . . .
H40B H -0.4356 0.2796 0.6819 0.107 Uiso 1 1 calc GR . . . .
H40C H -0.4369 0.3255 0.6527 0.107 Uiso 1 1 calc GR . . . .
C41 C -0.2182(5) 0.1998(7) 0.7913(4) 0.186(6) Uani 1 1 d . U . . .
H41A H -0.2276 0.2296 0.7754 0.279 Uiso 1 1 calc GR . . . .
H41B H -0.2281 0.2117 0.8136 0.279 Uiso 1 1 calc GR . . . .
H41C H -0.2360 0.1644 0.7855 0.279 Uiso 1 1 calc GR . . . .
C42 C -0.1559(2) 0.1464(3) 0.77049(15) 0.0525(19) Uani 1 1 d . . . . .
C43 C -0.1445(3) 0.0936(3) 0.78416(15) 0.066(2) Uani 1 1 d . . . . .
H43 H -0.1500 0.0869 0.8070 0.079 Uiso 1 1 calc R . . . .
C44 C -0.1246(3) 0.0496(3) 0.76383(17) 0.067(2) Uani 1 1 d . . . . .
H44 H -0.1179 0.0129 0.7726 0.080 Uiso 1 1 calc R . . . .
C45 C -0.1153(3) 0.0615(3) 0.73108(15) 0.0557(19) Uani 1 1 d . . . . .
H45 H -0.0993 0.0332 0.7179 0.067 Uiso 1 1 calc R . . . .
C46 C -0.1287(2) 0.1139(3) 0.71629(13) 0.0385(15) Uani 1 1 d . . . . .
C47 C -0.1492(2) 0.1592(3) 0.73597(13) 0.0388(15) Uani 1 1 d . . . . .
C48 C -0.1198(2) 0.1189(3) 0.68049(13) 0.0363(15) Uani 1 1 d . . . . .
H48 H -0.1000 0.0900 0.6703 0.044 Uiso 1 1 calc R . . . .
C49 C -0.1516(2) 0.1837(3) 0.60420(13) 0.0351(14) Uani 1 1 d . . . . .
C50 C -0.1447(2) 0.1733(2) 0.57018(12) 0.0314(14) Uani 1 1 d . . . . .
H50 H -0.1204 0.1462 0.5627 0.038 Uiso 1 1 calc R . . . .
C51 C -0.1750(2) 0.2043(2) 0.54786(13) 0.0343(14) Uani 1 1 d . . . . .
C52 C -0.2159(2) 0.2483(3) 0.59150(13) 0.0409(16) Uani 1 1 d . . . . .
H52 H -0.2414 0.2740 0.5990 0.049 Uiso 1 1 calc R . . . .
C53 C -0.1308(2) 0.1693(2) 0.46789(12) 0.0281(13) Uani 1 1 d . . . . .
H53 H -0.1547 0.1922 0.4560 0.034 Uiso 1 1 calc R . . . .
C54 C -0.09153(19) 0.1361(2) 0.44950(12) 0.0286(13) Uani 1 1 d . . . . .
C55 C -0.0614(2) 0.0931(2) 0.46529(13) 0.0338(14) Uani 1 1 d . . . . .
H55 H -0.0662 0.0852 0.4881 0.041 Uiso 1 1 calc R . . . .
C56 C -0.0248(2) 0.0625(3) 0.44767(14) 0.0392(15) Uani 1 1 d . . . . .
H56 H -0.0045 0.0343 0.4585 0.047 Uiso 1 1 calc R . . . .
C57 C -0.0178(2) 0.0737(2) 0.41324(14) 0.0367(15) Uani 1 1 d . . . . .
H57 H 0.0068 0.0527 0.4012 0.044 Uiso 1 1 calc R . . . .
C58 C -0.04705(19) 0.1151(2) 0.39751(12) 0.0305(13) Uani 1 1 d . . . . .
C59 C -0.08548(19) 0.1482(2) 0.41482(12) 0.0264(12) Uani 1 1 d . . . . .
C60 C 0.0004(2) 0.1077(3) 0.34578(14) 0.0502(18) Uani 1 1 d . . . . .
H60A H 0.0319 0.1169 0.3582 0.075 Uiso 1 1 calc GR . . . .
H60B H 0.0017 0.1253 0.3238 0.075 Uiso 1 1 calc GR . . . .
H60C H -0.0026 0.0663 0.3434 0.075 Uiso 1 1 calc GR . . . .
C61 C 0.0211(2) 0.0514(3) 0.25281(15) 0.056(2) Uani 1 1 d . . . . .
H61A H 0.0153 0.0102 0.2525 0.084 Uiso 1 1 calc GR . . . .
H61B H 0.0534 0.0596 0.2646 0.084 Uiso 1 1 calc GR . . . .
H61C H 0.0232 0.0654 0.2301 0.084 Uiso 1 1 calc GR . . . .
C62 C -0.0699(2) 0.0733(3) 0.25533(12) 0.0376(15) Uani 1 1 d . . . . .
C63 C -0.0815(2) 0.0367(3) 0.22877(12) 0.0383(15) Uani 1 1 d . . . . .
H63 H -0.0555 0.0133 0.2196 0.046 Uiso 1 1 calc R . . . .
C64 C -0.1323(2) 0.0349(3) 0.21571(13) 0.0461(17) Uani 1 1 d . . . . .
H64 H -0.1402 0.0110 0.1974 0.055 Uiso 1 1 calc R . . . .
C65 C -0.1709(2) 0.0686(2) 0.22984(13) 0.0394(15) Uani 1 1 d . . . . .
H65 H -0.2047 0.0677 0.2208 0.047 Uiso 1 1 calc R . . . .
C66 C -0.1597(2) 0.1040(3) 0.25758(12) 0.0351(14) Uani 1 1 d . . . . .
C67 C -0.1079(2) 0.1074(3) 0.27084(12) 0.0350(14) Uani 1 1 d . . . . .
C68 C -0.2026(2) 0.1354(2) 0.27210(12) 0.0343(14) Uani 1 1 d . . . . .
H68 H -0.2347 0.1335 0.2606 0.041 Uiso 1 1 calc R . . . .
C69 C -0.25973(19) 0.2111(2) 0.33799(12) 0.0288(13) Uani 1 1 d . . . . .
C70 C -0.30916(19) 0.2304(3) 0.34552(13) 0.0341(14) Uani 1 1 d . . . . .
H70 H -0.3360 0.2302 0.3294 0.041 Uiso 1 1 calc R . . . .
C71 C -0.31758(19) 0.2500(2) 0.37771(12) 0.0297(13) Uani 1 1 d . . . . .
C72 C -0.23239(19) 0.2321(2) 0.39118(12) 0.0286(13) Uani 1 1 d . . . . .
H72 H -0.2056 0.2332 0.4073 0.034 Uiso 1 1 calc R . . . .
C73 C -0.4219(2) 0.3083(3) 0.42226(13) 0.0368(15) Uani 1 1 d . . . . .
H73 H -0.4429 0.3095 0.4029 0.044 Uiso 1 1 calc R . . . .
C74 C -0.44457(19) 0.3298(2) 0.45296(14) 0.0341(14) Uani 1 1 d . . . . .
C75 C -0.4977(2) 0.3483(3) 0.45196(15) 0.0490(18) Uani 1 1 d . . . . .
H75 H -0.5163 0.3484 0.4316 0.059 Uiso 1 1 calc R . . . .
C76 C -0.5213(2) 0.3658(3) 0.48070(16) 0.0484(18) Uani 1 1 d . . . . .
H76 H -0.5565 0.3768 0.4799 0.058 Uiso 1 1 calc R . . . .
C77 C -0.4949(2) 0.3677(3) 0.51067(15) 0.0440(17) Uani 1 1 d . . . . .
H77 H -0.5118 0.3801 0.5301 0.053 Uiso 1 1 calc R . . . .
C78 C -0.4436(2) 0.3514(3) 0.51221(13) 0.0406(16) Uani 1 1 d . . . . .
C79 C -0.4165(2) 0.3313(3) 0.48348(14) 0.0375(15) Uani 1 1 d . . . . .
C80 C -0.4358(4) 0.3725(4) 0.5713(2) 0.1015(13) Uani 1 1 d . U . . .
H80A H -0.4507 0.4101 0.5671 0.152 Uiso 1 1 calc GR . . . .
H80B H -0.4095 0.3754 0.5888 0.152 Uiso 1 1 calc GR . . . .
H80C H -0.4629 0.3463 0.5783 0.152 Uiso 1 1 calc GR . . . .
C81 C -0.2876(2) 0.3629(3) 0.53918(12) 0.0461(17) Uani 1 1 d . . . . .
H81A H -0.2647 0.3574 0.5583 0.069 Uiso 1 1 calc GR . . . .
H81B H -0.3197 0.3421 0.5426 0.069 Uiso 1 1 calc GR . . . .
H81C H -0.2950 0.4036 0.5366 0.069 Uiso 1 1 calc GR . . . .
C82 C -0.2129(2) 0.3624(3) 0.50230(13) 0.0367(15) Uani 1 1 d . . . . .
C83 C -0.1902(2) 0.4104(3) 0.51760(14) 0.0415(16) Uani 1 1 d . . . . .
H83 H -0.2074 0.4301 0.5347 0.050 Uiso 1 1 calc R . . . .
C84 C -0.1415(2) 0.4286(3) 0.50686(14) 0.0433(16) Uani 1 1 d . . . . .
H84 H -0.1262 0.4616 0.5162 0.052 Uiso 1 1 calc R . . . .
C85 C -0.1156(2) 0.3981(3) 0.48239(13) 0.0376(15) Uani 1 1 d . . . . .
H85 H -0.0826 0.4104 0.4757 0.045 Uiso 1 1 calc R . . . .
C86 C -0.13791(19) 0.3490(2) 0.46733(12) 0.0275(13) Uani 1 1 d . . . . .
C87 C -0.1878(2) 0.3296(2) 0.47739(12) 0.0294(13) Uani 1 1 d . . . . .
C88 C -0.10934(19) 0.3153(2) 0.44235(12) 0.0285(13) Uani 1 1 d . . . . .
H88 H -0.1265 0.2858 0.4307 0.034 Uiso 1 1 calc R . . . .
C89 C 0.0133(2) 0.2943(2) 0.40766(13) 0.0322(14) Uani 1 1 d . . . . .
C90 C 0.04535(19) 0.3349(2) 0.42297(13) 0.0323(14) Uani 1 1 d . . . . .
H90 H 0.0315 0.3640 0.4365 0.039 Uiso 1 1 calc R . . . .
C91 C 0.0983(2) 0.3311(3) 0.41753(13) 0.0350(14) Uani 1 1 d . . . . .
C92 C 0.0843(2) 0.2532(3) 0.38318(13) 0.0373(15) Uani 1 1 d . . . . .
H92 H 0.0981 0.2252 0.3689 0.045 Uiso 1 1 calc R . . . .
C93 C 0.2117(2) 0.4078(2) 0.44019(13) 0.0344(14) Uani 1 1 d . . . . .
H93 H 0.1930 0.4346 0.4528 0.041 Uiso 1 1 calc R . . . .
C94 C 0.2680(2) 0.4167(2) 0.43755(12) 0.0360(14) Uani 1 1 d . . . . .
C95 C 0.2880(2) 0.4668(3) 0.45316(15) 0.0444(16) Uani 1 1 d . . . . .
H95 H 0.2655 0.4912 0.4649 0.053 Uiso 1 1 calc R . . . .
C96 C 0.3407(2) 0.4803(3) 0.45135(16) 0.0513(18) Uani 1 1 d . . . . .
H96 H 0.3538 0.5136 0.4618 0.062 Uiso 1 1 calc R . . . .
C97 C 0.3734(2) 0.4443(3) 0.43409(16) 0.0505(18) Uani 1 1 d . . . . .
H97 H 0.4088 0.4536 0.4327 0.061 Uiso 1 1 calc R . . . .
C98 C 0.3554(2) 0.3949(3) 0.41875(14) 0.0433(16) Uani 1 1 d . . . . .
C99 C 0.3011(2) 0.3798(3) 0.41953(13) 0.0384(15) Uani 1 1 d . . . . .
C100 C 0.3851(4) 0.3597(5) 0.3695(2) 0.107(3) Uani 1 1 d . U . . .
H10A H 0.3491 0.3530 0.3633 0.160 Uiso 1 1 calc GR . . . .
H10B H 0.4066 0.3298 0.3599 0.160 Uiso 1 1 calc GR . . . .
H10C H 0.3960 0.3969 0.3611 0.160 Uiso 1 1 calc GR . . . .
C101 C 0.1790(5) 0.2323(5) 0.2398(3) 0.1330(14) Uani 1 1 d . U . . .
H10D H 0.2001 0.2005 0.2320 0.199 Uiso 1 1 calc GR . . . .
H10E H 0.1918 0.2679 0.2304 0.199 Uiso 1 1 calc GR . . . .
H10F H 0.1432 0.2264 0.2329 0.199 Uiso 1 1 calc GR . . . .
C102 C 0.1774(3) 0.1824(4) 0.29364(18) 0.079(2) Uani 1 1 d . U . . .
C103 C 0.1663(4) 0.1327(4) 0.2781(2) 0.093(3) Uani 1 1 d . U . . .
H103 H 0.1630 0.1318 0.2547 0.111 Uiso 1 1 calc R . . . .
C104 C 0.1596(4) 0.0821(4) 0.2965(2) 0.100(3) Uani 1 1 d . U . . .
H104 H 0.1552 0.0469 0.2853 0.120 Uiso 1 1 calc R . . . .
C105 C 0.1594(3) 0.0837(4) 0.33244(19) 0.087(3) Uani 1 1 d . U . . .
H105 H 0.1525 0.0504 0.3449 0.104 Uiso 1 1 calc R . . . .
C106 C 0.1699(3) 0.1371(3) 0.34858(15) 0.0582(19) Uani 1 1 d . . . . .
C107 C 0.1796(2) 0.1878(3) 0.32991(14) 0.0546(19) Uani 1 1 d . . . . .
C108 C 0.1692(2) 0.1363(3) 0.38476(14) 0.0501(18) Uani 1 1 d . . . . .
H108 H 0.1586 0.1018 0.3948 0.060 Uiso 1 1 calc R . . . .
C109 C 0.1999(2) 0.2002(3) 0.46171(13) 0.0406(15) Uani 1 1 d . . . . .
C110 C 0.1947(2) 0.1881(3) 0.49608(13) 0.0434(16) Uani 1 1 d . . . . .
H110 H 0.1745 0.1572 0.5036 0.052 Uiso 1 1 calc R . . . .
C111 C 0.2213(2) 0.2248(3) 0.51850(13) 0.0413(16) Uani 1 1 d . . . . .
C112 C 0.2540(2) 0.2756(3) 0.47493(14) 0.0414(16) Uani 1 1 d . . . . .
H112 H 0.2754 0.3055 0.4674 0.050 Uiso 1 1 calc R . . . .
C113 C 0.1732(2) 0.1843(3) 0.59648(13) 0.0383(15) Uani 1 1 d . . . . .
H113 H 0.1937 0.2093 0.6095 0.046 Uiso 1 1 calc R . . . .
C114 C 0.1340(2) 0.1475(2) 0.61274(13) 0.0340(14) Uani 1 1 d . . . . .
C115 C 0.1089(2) 0.1031(3) 0.59537(17) 0.0497(18) Uani 1 1 d . . . . .
H115 H 0.1175 0.0963 0.5730 0.060 Uiso 1 1 calc R . . . .
C116 C 0.0720(3) 0.0692(3) 0.61028(18) 0.060(2) Uani 1 1 d . . . . .
H116 H 0.0557 0.0396 0.5981 0.072 Uiso 1 1 calc R . . . .
C117 C 0.0586(3) 0.0789(3) 0.64395(17) 0.0560(19) Uani 1 1 d . . . . .
H117 H 0.0325 0.0570 0.6541 0.067 Uiso 1 1 calc R . . . .
C118 C 0.0847(2) 0.1216(3) 0.66175(14) 0.0442(16) Uani 1 1 d . . . . .
C119 C 0.1218(2) 0.1586(3) 0.64646(13) 0.0367(15) Uani 1 1 d . . . . .
C120 C 0.0362(2) 0.1044(3) 0.71187(17) 0.066(2) Uani 1 1 d . U . . .
H12A H 0.0035 0.1131 0.7006 0.099 Uiso 1 1 calc GR . . . .
H12B H 0.0345 0.1167 0.7350 0.099 Uiso 1 1 calc GR . . . .
H12C H 0.0425 0.0633 0.7110 0.099 Uiso 1 1 calc GR . . . .
C121 C 0.0766(3) 0.2542(4) 0.5339(2) 0.084(3) Uani 1 1 d . U . . .
H12N H 0.0975 0.2199 0.5294 0.101 Uiso 1 1 calc R . . . .
H12O H 0.0813 0.2637 0.5576 0.101 Uiso 1 1 calc R . . . .
C122 C 0.0983(3) 0.3068(4) 0.5118(2) 0.090(3) Uani 1 1 d . U . . .
H12P H 0.1041 0.2937 0.4891 0.134 Uiso 1 1 calc GR . . . .
H12Q H 0.1308 0.3205 0.5214 0.134 Uiso 1 1 calc GR . . . .
H12R H 0.0731 0.3378 0.5115 0.134 Uiso 1 1 calc GR . . . .
C123 C 0.0100(4) 0.2311(5) 0.4895(2) 0.101(3) Uani 1 1 d . U . . .
H12S H -0.0263 0.2196 0.4858 0.121 Uiso 1 1 calc R . . . .
H12T H 0.0152 0.2679 0.4780 0.121 Uiso 1 1 calc R . . . .
C124 C 0.0444(3) 0.1872(4) 0.4741(2) 0.091(3) Uani 1 1 d . U . . .
H12U H 0.0774 0.2046 0.4686 0.136 Uiso 1 1 calc GR . . . .
H12V H 0.0280 0.1725 0.4539 0.136 Uiso 1 1 calc GR . . . .
H12W H 0.0500 0.1559 0.4897 0.136 Uiso 1 1 calc GR . . . .
C125 C 0.0039(4) 0.1764(5) 0.5480(3) 0.126(4) Uani 1 1 d . U . . .
H12X H -0.0289 0.1608 0.5393 0.151 Uiso 1 1 calc R . . . .
H12Y H 0.0313 0.1477 0.5448 0.151 Uiso 1 1 calc R . . . .
C126 C -0.0009(3) 0.1905(4) 0.5844(2) 0.094(3) Uani 1 1 d . U . . .
H12Z H 0.0264 0.2171 0.5909 0.141 Uiso 1 1 calc GR . . . .
H H 0.0021 0.1556 0.5974 0.141 Uiso 1 1 calc GR . . . .
HA H -0.0345 0.2081 0.5883 0.141 Uiso 1 1 calc GR . . . .
C127 C -0.3026(2) 0.4238(3) 0.44982(15) 0.0462(17) Uani 1 1 d . . . . .
H12D H -0.3331 0.4187 0.4635 0.069 Uiso 1 1 calc GR . . . .
H12E H -0.3110 0.4490 0.4312 0.069 Uiso 1 1 calc GR . . . .
H12F H -0.2749 0.4407 0.4632 0.069 Uiso 1 1 calc GR . . . .
C128 C -0.1461(4) 0.0410(3) 0.3460(2) 0.108(4) Uani 1 1 d . . . . .
H12G H -0.1211 0.0441 0.3281 0.162 Uiso 1 1 calc GR . . . .
H12H H -0.1775 0.0227 0.3375 0.162 Uiso 1 1 calc GR . . . .
H12I H -0.1315 0.0182 0.3641 0.162 Uiso 1 1 calc GR . . . .
C129 C 0.2187(3) 0.4167(3) 0.35137(16) 0.063(2) Uani 1 1 d . . . . .
H12J H 0.2534 0.4209 0.3607 0.094 Uiso 1 1 calc GR . . . .
H12K H 0.1946 0.4397 0.3641 0.094 Uiso 1 1 calc GR . . . .
H12L H 0.2184 0.4295 0.3283 0.094 Uiso 1 1 calc GR . . . .
C130 C 0.3054(2) 0.4614(3) 0.63059(15) 0.0530(19) Uani 1 1 d . . . . .
H13A H 0.3402 0.4641 0.6218 0.079 Uiso 1 1 calc GR . . . .
H13B H 0.3034 0.4832 0.6512 0.079 Uiso 1 1 calc GR . . . .
H13C H 0.2807 0.4767 0.6144 0.079 Uiso 1 1 calc GR . . . .
C131 C 0.1882(4) 0.0553(3) 0.72284(19) 0.084(3) Uani 1 1 d . . . . .
H13D H 0.2215 0.0357 0.7218 0.126 Uiso 1 1 calc GR . . . .
H13E H 0.1616 0.0315 0.7125 0.126 Uiso 1 1 calc GR . . . .
H13F H 0.1795 0.0622 0.7460 0.126 Uiso 1 1 calc GR . . . .
C133 C 0.0918(4) 0.3417(6) 0.3036(4) 0.179(6) Uani 1 1 d D U . . .
H13J H 0.0844 0.3673 0.3220 0.269 Uiso 1 1 calc GR . . . .
H13K H 0.0802 0.3032 0.3090 0.269 Uiso 1 1 calc GR . . . .
H13L H 0.0737 0.3551 0.2837 0.269 Uiso 1 1 calc GR . . . .
C134 C 0.1257(5) 0.0385(4) 0.4969(2) 0.142(4) Uani 1 1 d D U . . .
H13M H 0.1304 -0.0025 0.4936 0.214 Uiso 1 1 calc GR . . . .
H13N H 0.0912 0.0458 0.5052 0.214 Uiso 1 1 calc GR . . . .
H13O H 0.1514 0.0525 0.5128 0.214 Uiso 1 1 calc GR . . . .
C135 C 0.8788(6) 0.5029(9) 0.7072(4) 0.290(9) Uani 1 1 d D U . . .
H13P H 0.8972 0.5010 0.7284 0.435 Uiso 1 1 calc GR . . . .
H13Q H 0.8516 0.4740 0.7067 0.435 Uiso 1 1 calc GR . . . .
H13R H 0.8634 0.5407 0.7045 0.435 Uiso 1 1 calc GR . . . .
C136 C 0.8211(3) 0.4393(4) 0.3981(2) 0.079(3) Uani 1 1 d . . . . .
H13S H 0.7969 0.4699 0.4033 0.118 Uiso 1 1 calc GR . . . .
H13T H 0.8381 0.4478 0.3772 0.118 Uiso 1 1 calc GR . . . .
H13U H 0.8469 0.4363 0.4159 0.118 Uiso 1 1 calc GR . . . .
C137 C 0.8070(4) 0.0307(4) 0.4352(2) 0.111(4) Uani 1 1 d D . . . .
H13V H 0.8365 0.0109 0.4258 0.166 Uiso 1 1 calc GR . . . .
H13W H 0.7792 0.0034 0.4391 0.166 Uiso 1 1 calc GR . . . .
H13X H 0.8172 0.0484 0.4562 0.166 Uiso 1 1 calc GR . . . .
C138 C 0.9496(4) 0.3672(5) 0.2797(2) 0.109(4) Uani 1 1 d D . . . .
H13Z H 0.9136 0.3795 0.2792 0.163 Uiso 1 1 calc GR . . . .
HB H 0.9543 0.3361 0.2639 0.163 Uiso 1 1 calc GR . . . .
HC H 0.9717 0.3993 0.2737 0.163 Uiso 1 1 calc GR . . . .
C139 C 0.9570(5) 0.4462(4) 0.3461(2) 0.163(5) Uani 1 1 d D . . . .
H13Y H 0.9405 0.4795 0.3359 0.245 Uiso 1 1 calc GR . . . .
HD H 0.9334 0.4138 0.3451 0.245 Uiso 1 1 calc GR . . . .
HE H 0.9885 0.4369 0.3343 0.245 Uiso 1 1 calc GR . . . .
C140 C 1.0077(4) 0.2234(4) 0.2538(2) 0.099(3) Uani 1 1 d . . . . .
H14G H 1.0232 0.2454 0.2359 0.148 Uiso 1 1 calc GR . . . .
H14H H 1.0252 0.1866 0.2558 0.148 Uiso 1 1 calc GR . . . .
H14I H 1.0113 0.2443 0.2747 0.148 Uiso 1 1 calc GR . . . .
C141 C 0.28382(19) 0.2234(3) 0.72830(12) 0.0330(14) Uani 1 1 d . . . . .
C142 C 0.42611(18) 0.4135(2) 0.60352(12) 0.0310(14) Uani 1 1 d . . . . .
C143 C 0.7400(3) 0.4624(5) 0.7177(3) 0.125(4) Uani 1 1 d D U . . .
H14J H 0.7151 0.4336 0.7104 0.187 Uiso 1 1 calc GR . . . .
H14K H 0.7376 0.4958 0.7032 0.187 Uiso 1 1 calc GR . . . .
H14L H 0.7324 0.4738 0.7405 0.187 Uiso 1 1 calc GR . . . .
C144 C 0.4971(5) 0.2382(8) 0.3546(4) 0.2355(14) Uani 1 1 d D U . . .
H14M H 0.4956 0.2147 0.3746 0.353 Uiso 1 1 calc GR . . . .
H14N H 0.4735 0.2227 0.3378 0.353 Uiso 1 1 calc GR . . . .
H14O H 0.4869 0.2772 0.3599 0.353 Uiso 1 1 calc GR . . . .
C145 C 0.3866(4) 0.2681(6) 0.5368(3) 0.155(5) Uani 1 1 d . U . . .
H14A H 0.4156 0.2831 0.5498 0.233 Uiso 1 1 calc GR . . . .
H14B H 0.3854 0.2868 0.5152 0.233 Uiso 1 1 calc GR . . . .
H14C H 0.3908 0.2270 0.5338 0.233 Uiso 1 1 calc GR . . . .
C146 C 0.0404(4) 0.2588(5) 0.7620(2) 0.1139(10) Uani 1 1 d D U . . .
H14D H 0.0467 0.2282 0.7780 0.171 Uiso 1 1 calc GR . . . .
H14E H 0.0035 0.2620 0.7574 0.171 Uiso 1 1 calc GR . . . .
H14F H 0.0533 0.2948 0.7710 0.171 Uiso 1 1 calc GR . . . .
Dy2 Dy 0.32639(2) 0.31914(2) 0.61029(2) 0.03441(7) Uani 1 1 d . . . . .
Dy6 Dy -0.18852(2) 0.25243(2) 0.67610(2) 0.03148(6) Uani 1 1 d . . . . .
Dy1 Dy 0.15168(2) 0.19756(2) 0.72114(2) 0.04144(8) Uani 1 1 d D . . . .
Dy5 Dy -0.30042(2) 0.27518(2) 0.46209(2) 0.03016(6) Uani 1 1 d . . . . .
Dy3 Dy 0.21606(2) 0.27889(2) 0.39097(2) 0.03427(7) Uani 1 1 d . . . . .
Dy4 Dy -0.12531(2) 0.18637(2) 0.34166(2) 0.02944(6) Uani 1 1 d . . . . .
N1 N 0.22297(16) 0.1778(2) 0.76542(10) 0.0381(13) Uani 1 1 d . . . . .
N2 N 0.27342(16) 0.1954(2) 0.75764(10) 0.0382(13) Uani 1 1 d . . . . .
H2 H 0.2987 0.1884 0.7717 0.046 Uiso 1 1 calc R . . . .
N3 N 0.24369(16) 0.2292(2) 0.70548(11) 0.0361(12) Uani 1 1 d . . . . .
N4 N 0.30240(16) 0.2810(2) 0.66933(10) 0.0314(11) Uani 1 1 d . . . . .
N5 N 0.38641(16) 0.3020(2) 0.68763(10) 0.0370(12) Uani 1 1 d . . . . .
H5A H 0.4120 0.2973 0.7017 0.044 Uiso 1 1 calc R . . . .
N6 N 0.39364(15) 0.3357(2) 0.65909(9) 0.0296(11) Uani 1 1 d . . . . .
N7 N 0.16434(18) 0.3244(3) 0.73313(12) 0.0497(15) Uani 1 1 d . . . . .
N8 N 0.3504(3) 0.1968(3) 0.61238(19) 0.100(3) Uani 1 1 d . . . . .
N9 N 0.08031(17) 0.3265(2) 0.62274(11) 0.0402(13) Uani 1 1 d . . . . .
N10 N 0.06135(16) 0.2904(2) 0.64730(11) 0.0398(13) Uani 1 1 d . . . . .
H10G H 0.0824 0.2682 0.6585 0.048 Uiso 1 1 calc R . . . .
N11 N -0.00452(16) 0.2522(2) 0.67832(11) 0.0358(12) Uani 1 1 d . . . . .
N12 N -0.09452(17) 0.2771(2) 0.66920(11) 0.0355(12) Uani 1 1 d . . . . .
N13 N -0.11703(16) 0.3502(2) 0.63166(11) 0.0398(13) Uani 1 1 d . . . . .
H13G H -0.1091 0.3749 0.6163 0.048 Uiso 1 1 calc R . . . .
N14 N -0.16884(17) 0.3443(2) 0.64160(11) 0.0384(13) Uani 1 1 d . . . . .
N15 N -0.13721(16) 0.1602(2) 0.66157(9) 0.0312(11) Uani 1 1 d . . . . .
N16 N -0.12353(18) 0.1546(2) 0.62802(10) 0.0395(13) Uani 1 1 d . . . . .
H16A H -0.0975 0.1330 0.6224 0.047 Uiso 1 1 calc R . . . .
N17 N -0.18672(17) 0.2237(2) 0.61553(10) 0.0358(12) Uani 1 1 d . . . . .
N18 N -0.21398(17) 0.2415(2) 0.55846(10) 0.0376(13) Uani 1 1 d . . . . .
N19 N -0.17131(16) 0.2006(2) 0.51387(10) 0.0338(12) Uani 1 1 d . . . . .
H19 H -0.1931 0.2191 0.5011 0.041 Uiso 1 1 calc R . . . .
N20 N -0.13249(16) 0.1673(2) 0.50007(10) 0.0317(11) Uani 1 1 d . . . . .
N21 N -0.20133(16) 0.1654(2) 0.29899(10) 0.0330(12) Uani 1 1 d . . . . .
N22 N -0.24882(17) 0.1910(2) 0.30642(11) 0.0435(14) Uani 1 1 d . . . . .
H22 H -0.2722 0.1945 0.2907 0.052 Uiso 1 1 calc R . . . .
N23 N -0.14712(17) 0.3130(2) 0.33275(11) 0.0370(12) Uani 1 1 d . . . . .
N24 N -0.21928(16) 0.21145(19) 0.36105(9) 0.0288(11) Uani 1 1 d . . . . .
N25 N -0.27822(16) 0.2510(2) 0.40103(10) 0.0306(11) Uani 1 1 d . . . . .
N26 N -0.36554(16) 0.2680(2) 0.38669(10) 0.0348(12) Uani 1 1 d . . . . .
H26 H -0.3907 0.2674 0.3721 0.042 Uiso 1 1 calc R . . . .
N27 N -0.37519(16) 0.28763(19) 0.41897(10) 0.0291(11) Uani 1 1 d . . . . .
N28 N -0.3071(2) 0.1490(2) 0.45218(13) 0.0512(15) Uani 1 1 d . . . . .
N29 N -0.06168(16) 0.3257(2) 0.43633(10) 0.0315(11) Uani 1 1 d . . . . .
N30 N -0.03882(15) 0.29044(19) 0.41292(11) 0.0317(11) Uani 1 1 d . . . . .
H30A H -0.0575 0.2660 0.4016 0.038 Uiso 1 1 calc R . . . .
N31 N 0.03222(16) 0.2532(2) 0.38595(10) 0.0344(12) Uani 1 1 d . . . . .
N32 N 0.11910(16) 0.2878(2) 0.39812(10) 0.0360(12) Uani 1 1 d . . . . .
N33 N 0.13162(16) 0.3693(2) 0.43205(11) 0.0394(13) Uani 1 1 d . . . . .
H33A H 0.1196 0.3962 0.4449 0.047 Uiso 1 1 calc R . . . .
N34 N 0.18553(16) 0.3655(2) 0.42646(11) 0.0349(12) Uani 1 1 d . . . . .
N35 N 0.18159(18) 0.1779(2) 0.40465(11) 0.0388(13) Uani 1 1 d . . . . .
N36 N 0.1753(2) 0.1666(2) 0.43869(11) 0.0466(14) Uani 1 1 d . . . . .
H36A H 0.1558 0.1383 0.4451 0.056 Uiso 1 1 calc R . . . .
N37 N 0.22753(17) 0.2464(2) 0.45073(10) 0.0342(12) Uani 1 1 d . . . . .
N38 N 0.25379(18) 0.2676(2) 0.50777(10) 0.0380(12) Uani 1 1 d . . . . .
N39 N 0.21629(19) 0.2199(2) 0.55230(11) 0.0452(14) Uani 1 1 d . . . . .
H39 H 0.2358 0.2400 0.5657 0.054 Uiso 1 1 calc R . . . .
N40 N 0.17937(19) 0.1823(2) 0.56485(11) 0.0464(14) Uani 1 1 d . . . . .
N41 N 0.0195(2) 0.2399(3) 0.52750(14) 0.0689(18) Uani 1 1 d . U . . .
N42 N 0.9179(2) 0.0297(3) 0.58977(15) 0.0655(18) Uani 1 1 d . . . . .
N43 N 0.0967(2) 0.5141(2) 0.41843(13) 0.0543(16) Uani 1 1 d . . . . .
O1 O 0.03407(16) 0.1133(2) 0.79413(11) 0.0717(15) Uani 1 1 d . U . . .
O2 O 0.11898(15) 0.1495(2) 0.76272(9) 0.0593(13) Uani 1 1 d . U . . .
O3 O 0.16920(14) 0.2849(2) 0.75593(9) 0.0470(12) Uani 1 1 d . . . . .
O4 O 0.1702(2) 0.3755(2) 0.74097(12) 0.0709(16) Uani 1 1 d . . . . .
O5 O 0.15566(14) 0.30892(19) 0.70320(9) 0.0446(11) Uani 1 1 d . . . . .
O6 O 0.19135(15) 0.10907(19) 0.70547(9) 0.0500(12) Uani 1 1 d . . . . .
H6 H 0.2111 0.1095 0.6859 0.060 Uiso 1 1 calc R . . . .
O7 O 0.06972(15) 0.2447(2) 0.72839(11) 0.0669(12) Uani 1 1 d D U . . .
H7 H 0.0463(4) 0.2435(15) 0.7128(2) 0.100 Uiso 1 1 d DR . . . .
O8 O 0.07750(14) 0.13410(19) 0.69563(9) 0.0460(11) Uani 1 1 d . . . . .
O9 O 0.14214(13) 0.20194(18) 0.66464(8) 0.0387(10) Uani 1 1 d . . . . .
O10 O 0.18909(15) 0.2376(2) 0.34341(9) 0.0484(12) Uani 1 1 d . . . . .
O11 O 0.1822(3) 0.2354(3) 0.27742(12) 0.103(2) Uani 1 1 d . U . . .
O12 O 0.20330(16) 0.3568(2) 0.35278(9) 0.0508(12) Uani 1 1 d . . . . .
H12M H 0.1833 0.3459 0.3340 0.061 Uiso 1 1 calc R . . . .
O13 O 0.28835(17) 0.2173(2) 0.38136(13) 0.0766(16) Uani 1 1 d . . . . .
H13H H 0.3165 0.2332 0.3889 0.115 Uiso 1 1 d GR . . . .
H13I H 0.2913 0.2116 0.3601 0.115 Uiso 1 1 d GR . . . .
O14 O 0.28479(13) 0.33269(18) 0.40454(9) 0.0396(11) Uani 1 1 d . . . . .
O15 O 0.39011(15) 0.3587(2) 0.40238(12) 0.0621(14) Uani 1 1 d . . . . .
O16 O -0.21151(12) 0.28328(15) 0.46472(8) 0.0288(9) Uani 1 1 d . . . . .
O17 O -0.26250(13) 0.34172(17) 0.50946(8) 0.0355(10) Uani 1 1 d . . . . .
O18 O -0.29868(14) 0.22596(18) 0.51535(9) 0.0429(11) Uani 1 1 d . . . . .
H18A H -0.3297 0.2245 0.5234 0.064 Uiso 1 1 d GR . . . .
H18B H -0.2786 0.2444 0.5292 0.064 Uiso 1 1 d GR . . . .
O19 O -0.28602(14) 0.36865(16) 0.43720(8) 0.0359(10) Uani 1 1 d . . . . .
H19A H -0.2676 0.3691 0.4171 0.043 Uiso 1 1 calc R . . . .
O20 O -0.34568(15) 0.18240(18) 0.45344(10) 0.0469(12) Uani 1 1 d . . . . .
O21 O -0.26167(15) 0.16988(18) 0.45583(10) 0.0437(11) Uani 1 1 d . . . . .
O22 O -0.3126(2) 0.0966(2) 0.44672(18) 0.100(2) Uani 1 1 d . . . . .
O23 O -0.36763(13) 0.31477(18) 0.48621(9) 0.0400(11) Uani 1 1 d . . . . .
O24 O -0.41290(15) 0.3514(2) 0.54168(10) 0.0589(13) Uani 1 1 d . U . . .
O25 O -0.09513(14) 0.14216(18) 0.29641(9) 0.0400(10) Uani 1 1 d . . . . .
O26 O -0.02023(15) 0.0787(2) 0.26908(9) 0.0520(12) Uani 1 1 d . . . . .
O27 O -0.15790(15) 0.09459(17) 0.35745(10) 0.0429(11) Uani 1 1 d . . . . .
H27 H -0.1829 0.0954 0.3743 0.051 Uiso 1 1 calc R . . . .
O28 O -0.14727(13) 0.27452(17) 0.30967(8) 0.0345(10) Uani 1 1 d . . . . .
O29 O -0.13557(14) 0.29670(17) 0.36232(8) 0.0351(10) Uani 1 1 d . . . . .
O30 O -0.15847(16) 0.36430(18) 0.32667(10) 0.0496(12) Uani 1 1 d . . . . .
O31 O -0.04519(13) 0.23864(17) 0.33415(9) 0.0365(10) Uani 1 1 d . . . . .
H31A H -0.0343 0.2339 0.3140 0.055 Uiso 1 1 d GR . . . .
H31B H -0.0219 0.2259 0.3480 0.055 Uiso 1 1 d GR . . . .
O32 O -0.11167(12) 0.18945(15) 0.39814(8) 0.0267(9) Uani 1 1 d . . . . .
O33 O -0.04470(13) 0.12964(17) 0.36373(8) 0.0341(10) Uani 1 1 d . . . . .
O34 O -0.16078(16) 0.21024(19) 0.72360(8) 0.0444(11) Uani 1 1 d . . . . .
O35 O -0.1710(2) 0.1919(3) 0.79070(12) 0.0839(18) Uani 1 1 d . U . . .
O36 O -0.18814(19) 0.3279(2) 0.71669(11) 0.0664(15) Uani 1 1 d . . . . .
H36B H -0.1872 0.3609 0.7067 0.100 Uiso 1 1 d GR . . . .
H36C H -0.1610 0.3245 0.7295 0.100 Uiso 1 1 d GR . . . .
O37 O -0.25016(16) 0.17527(19) 0.67907(12) 0.0567(13) Uani 1 1 d . . . . .
H37A H -0.2388 0.1458 0.6682 0.085 Uiso 1 1 d GR . . . .
H37B H -0.2793 0.1863 0.6703 0.085 Uiso 1 1 d GR . . . .
O38 O -0.26490(14) 0.29508(18) 0.66205(9) 0.0401(10) Uani 1 1 d . . . . .
O39 O -0.36585(15) 0.3105(2) 0.67076(10) 0.0576(13) Uani 1 1 d . . . . .
O40 O 0.23820(13) 0.31148(17) 0.60238(8) 0.0352(10) Uani 1 1 d . . . . .
O41 O 0.28614(14) 0.38104(19) 0.56178(8) 0.0420(11) Uani 1 1 d . . . . .
O42 O 0.33876(15) 0.2792(2) 0.55423(9) 0.0508(12) Uani 1 1 d . U . . .
H42 H 0.3081 0.2698 0.5425 0.061 Uiso 1 1 calc R . . . .
O43 O 0.30318(16) 0.2092(2) 0.60978(11) 0.0540(13) Uani 1 1 d . . . . .
O44 O 0.3871(2) 0.2398(2) 0.61511(13) 0.0793(16) Uani 1 1 d . . . . .
O45 O 0.3666(3) 0.1458(3) 0.6110(3) 0.175(4) Uani 1 1 d . . . . .
O46 O 0.29362(14) 0.40384(17) 0.63694(9) 0.0389(10) Uani 1 1 d . . . . .
H46 H 0.2696 0.3974 0.6540 0.047 Uiso 1 1 calc R . . . .
O47 O 0.41742(13) 0.46154(17) 0.55146(9) 0.0372(10) Uani 1 1 d . . . . .
O48 O 0.38810(13) 0.37918(17) 0.59369(8) 0.0356(10) Uani 1 1 d . . . . .
O49 O 0.07578(16) 0.47805(18) 0.43855(10) 0.0514(12) Uani 1 1 d . . . . .
O50 O 0.1421(2) 0.5051(2) 0.40854(13) 0.0758(16) Uani 1 1 d . . . . .
O52 O 0.1318(3) 0.0667(3) 0.46659(13) 0.120(2) Uani 1 1 d D . . . .
H52A H 0.1158 0.0491 0.4517 0.180 Uiso 1 1 calc GR . . . .
O53 O 0.0095(4) 0.4442(5) 0.5320(3) 0.235(5) Uani 1 1 d . U . . .
O55 O 0.2635(3) 0.0964(4) 0.6519(2) 0.172(3) Uani 1 1 d . U . . .
O56 O 0.5710(6) 0.0405(7) 0.7361(4) 0.287(8) Uani 1 1 d . . . . .
O61 O 0.7898(3) 0.0727(3) 0.41318(16) 0.114(2) Uani 1 1 d D U . . .
H61 H 0.7678 0.0588 0.4002 0.170 Uiso 1 1 calc GR . . . .
O62 O 0.95548(18) 0.2146(2) 0.24676(12) 0.0708(16) Uani 1 1 d . . . . .
H62 H 0.9433 0.1917 0.2605 0.106 Uiso 1 1 calc GR . . . .
O63 O 0.79368(16) 0.3866(2) 0.39518(10) 0.0563(13) Uani 1 1 d . . . . .
H63A H 0.8108 0.3638 0.3838 0.085 Uiso 1 1 calc GR . . . .
O64 O 0.96345(19) 0.3473(2) 0.31340(13) 0.0714(16) Uani 1 1 d D . . . .
O67 O 0.9262(3) 0.0483(3) 0.56046(15) 0.111(2) Uani 1 1 d . U . . .
O68 O 0.8967(2) -0.0173(3) 0.59388(17) 0.115(2) Uani 1 1 d . U . . .
O69 O 0.9364(2) 0.0559(2) 0.61428(13) 0.0744(16) Uani 1 1 d . . . . .
O70 O 0.8602(5) 0.3060(4) 0.7760(2) 0.194(4) Uani 1 1 d . U . . .
O71 O 0.9143(5) 0.4923(7) 0.6805(3) 0.302(7) Uani 1 1 d D U . . .
H71 H 0.9018 0.4680 0.6676 0.452 Uiso 1 1 calc GR . . . .
O72 O 0.0717(2) 0.5574(2) 0.40934(14) 0.0800(17) Uani 1 1 d . U . . .
O73 O 0.9693(5) 0.4587(6) 0.3798(2) 0.234(5) Uani 1 1 d D U . . .
H73A H 0.9762 0.4933 0.3817 0.351 Uiso 1 1 calc GR . . . .
O74 O 0.7923(3) 0.4386(4) 0.7164(2) 0.158(3) Uani 1 1 d D U . . .
O75 O 0.5753(5) 0.1494(6) 0.7059(3) 0.249(6) Uani 1 1 d . U . . .
O76 O 0.5491(3) 0.2380(5) 0.3420(2) 0.183(4) Uani 1 1 d D U . . .
O77 O 0.9419(5) 0.5614(7) 0.3052(3) 0.301(6) Uani 1 1 d . U . . .
O78 O 0.9444(5) 0.3143(4) 0.5458(2) 0.207(4) Uani 1 1 d . U . . .
O79 O 0.20539(19) 0.4140(3) 0.67223(12) 0.092(2) Uani 1 1 d . U . . .
O80 O 0.3187(3) 0.1331(4) 0.3336(2) 0.161(3) Uani 1 1 d . U . . .
O81 O 0.1489(2) 0.3410(3) 0.29747(15) 0.123(2) Uani 1 1 d D U . . .
H81 H 0.1573 0.3094 0.2898 0.184 Uiso 1 1 calc GR . . . .
O82 O 0.6500(3) 0.1933(3) 0.6609(2) 0.134(3) Uani 1 1 d . U . . .
O83 O 0.3819(4) 0.2346(5) 0.4166(3) 0.214(5) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.375(8) . ?
C2 C3 1.388(8) . ?
C2 C7 1.399(8) . ?
C2 O1 1.365(7) . ?
C3 C4 1.385(8) . ?
C4 C5 1.361(8) . ?
C5 C6 1.421(7) . ?
C6 C7 1.401(7) . ?
C6 C8 1.435(7) . ?
C7 O2 1.318(6) . ?
C8 N1 1.292(7) . ?
C10 C11 1.376(7) . ?
C10 C141 1.376(7) . ?
C11 N4 1.351(6) . ?
C11 N5 1.336(7) . ?
C12 N3 1.334(6) . ?
C12 N4 1.327(6) . ?
C13 C14 1.437(7) . ?
C13 N6 1.293(6) . ?
C14 C15 1.411(7) . ?
C14 C142 1.414(7) . ?
C15 C16 1.361(8) . ?
C16 C17 1.378(8) . ?
C17 C18 1.379(7) . ?
C18 C142 1.418(7) . ?
C18 O47 1.382(6) . ?
C20 O47 1.435(7) . ?
C21 O41 1.453(6) . ?
C22 C23 1.380(8) . ?
C22 C27 1.430(7) . ?
C22 O41 1.366(7) . ?
C23 C24 1.391(9) . ?
C24 C25 1.384(9) . ?
C25 C26 1.402(8) . ?
C26 C27 1.402(7) . ?
C26 C28 1.447(7) . ?
C27 O40 1.323(6) . ?
C28 N9 1.282(7) . ?
C29 C30 1.378(7) . ?
C29 N10 1.341(6) . ?
C29 N11 1.358(7) . ?
C30 C31 1.396(7) . ?
C31 N12 1.364(7) . ?
C31 N13 1.355(7) . ?
C32 N11 1.319(6) . ?
C32 N12 1.330(7) . ?
C33 C34 1.453(8) . ?
C33 N14 1.279(7) . ?
C34 C35 1.405(9) . ?
C34 C39 1.401(8) . ?
C35 C36 1.363(9) . ?
C36 C37 1.388(10) . ?
C37 C38 1.362(9) . ?
C38 C39 1.422(7) . ?
C38 O39 1.373(8) . ?
C39 O38 1.288(7) . ?
C40 O39 1.430(7) . ?
C41 O35 1.215(14) . ?
C42 C43 1.362(10) . ?
C42 C47 1.412(8) . ?
C42 O35 1.376(9) . ?
C43 C44 1.394(10) . ?
C44 C45 1.350(9) . ?
C45 C46 1.384(9) . ?
C46 C47 1.405(8) . ?
C46 C48 1.443(7) . ?
C47 O34 1.306(7) . ?
C48 N15 1.288(7) . ?
C49 C50 1.383(7) . ?
C49 N16 1.354(7) . ?
C49 N17 1.364(7) . ?
C50 C51 1.369(7) . ?
C51 N18 1.380(7) . ?
C51 N19 1.354(6) . ?
C52 N17 1.329(7) . ?
C52 N18 1.320(6) . ?
C53 C54 1.460(7) . ?
C53 N20 1.277(6) . ?
C54 C55 1.397(7) . ?
C54 C59 1.413(7) . ?
C55 C56 1.367(8) . ?
C56 C57 1.402(8) . ?
C57 C58 1.356(8) . ?
C58 C59 1.424(7) . ?
C58 O33 1.382(6) . ?
C59 O32 1.332(6) . ?
C60 O33 1.449(6) . ?
C61 O26 1.392(7) . ?
C62 C63 1.378(7) . ?
C62 C67 1.395(8) . ?
C62 O26 1.377(7) . ?
C63 C64 1.389(8) . ?
C64 C65 1.376(8) . ?
C65 C66 1.395(7) . ?
C66 C67 1.418(7) . ?
C66 C68 1.437(8) . ?
C67 O25 1.329(6) . ?
C68 N21 1.271(6) . ?
C69 C70 1.372(7) . ?
C69 N22 1.365(6) . ?
C69 N24 1.370(6) . ?
C70 C71 1.373(7) . ?
C71 N25 1.356(6) . ?
C71 N26 1.342(6) . ?
C72 N24 1.331(6) . ?
C72 N25 1.310(6) . ?
C73 C74 1.440(8) . ?
C73 N27 1.290(7) . ?
C74 C75 1.420(7) . ?
C74 C79 1.399(8) . ?
C75 C76 1.356(9) . ?
C76 C77 1.360(8) . ?
C77 C78 1.361(7) . ?
C78 C79 1.416(8) . ?
C78 O24 1.398(6) . ?
C79 O23 1.305(6) . ?
C80 O24 1.404(10) . ?
C81 O17 1.432(6) . ?
C82 C83 1.385(8) . ?
C82 C87 1.403(7) . ?
C82 O17 1.382(6) . ?
C83 C84 1.381(8) . ?
C84 C85 1.372(8) . ?
C85 C86 1.395(7) . ?
C86 C87 1.410(7) . ?
C86 C88 1.459(7) . ?
C87 O16 1.321(6) . ?
C88 N29 1.263(6) . ?
C89 C90 1.378(7) . ?
C89 N30 1.351(6) . ?
C89 N31 1.370(7) . ?
C90 C91 1.372(7) . ?
C91 N32 1.369(7) . ?
C91 N33 1.346(7) . ?
C92 N31 1.332(7) . ?
C92 N32 1.328(7) . ?
C93 C94 1.454(7) . ?
C93 N34 1.296(7) . ?
C94 C95 1.401(8) . ?
C94 C99 1.400(8) . ?
C95 C96 1.383(8) . ?
C96 C97 1.364(9) . ?
C97 C98 1.366(9) . ?
C98 C99 1.427(7) . ?
C98 O15 1.383(7) . ?
C99 O14 1.302(7) . ?
C100 O15 1.309(10) . ?
C101 O11 1.493(12) . ?
C102 C103 1.328(11) . ?
C102 C107 1.443(9) . ?
C102 O11 1.385(10) . ?
C103 C104 1.385(12) . ?
C104 C105 1.426(11) . ?
C105 C106 1.410(10) . ?
C106 C107 1.406(10) . ?
C106 C108 1.434(8) . ?
C107 O10 1.287(8) . ?
C108 N35 1.278(7) . ?
C109 C110 1.398(7) . ?
C109 N36 1.344(7) . ?
C109 N37 1.351(7) . ?
C110 C111 1.396(8) . ?
C111 N38 1.359(7) . ?
C111 N39 1.352(7) . ?
C112 N37 1.346(7) . ?
C112 N38 1.314(7) . ?
C113 C114 1.465(8) . ?
C113 N40 1.266(7) . ?
C114 C115 1.384(8) . ?
C114 C119 1.399(7) . ?
C115 C116 1.363(9) . ?
C116 C117 1.399(9) . ?
C117 C118 1.377(9) . ?
C118 C119 1.414(8) . ?
C118 O8 1.387(7) . ?
C119 O9 1.332(7) . ?
C120 O8 1.416(7) . ?
C121 C122 1.599(12) . ?
C121 N41 1.512(9) . ?
C123 C124 1.474(13) . ?
C123 N41 1.538(10) . ?
C125 C126 1.483(13) . ?
C125 N41 1.722(13) . ?
C127 O19 1.430(7) . ?
C128 O27 1.349(8) . ?
C129 O12 1.434(8) . ?
C130 O46 1.382(7) . ?
C131 O6 1.420(8) . ?
C133 O81 1.476(10) . ?
C134 O52 1.374(9) . ?
C135 O71 1.423(14) . ?
C136 O63 1.405(9) . ?
C137 O61 1.372(9) . ?
C138 O64 1.452(9) . ?
C139 O73 1.397(11) . ?
C140 O62 1.372(10) . ?
C141 N2 1.359(6) . ?
C141 N3 1.364(6) . ?
C142 O48 1.306(6) . ?
C143 O74 1.443(10) . ?
C144 O76 1.423(13) . ?
C145 O42 1.430(11) . ?
C146 O7 1.567(10) . ?
Dy2 N4 2.579(4) . ?
Dy2 N6 2.597(4) . ?
Dy2 N8 2.883(7) . ?
Dy2 O40 2.272(3) . ?
Dy2 O41 2.595(4) . ?
Dy2 O42 2.428(4) . ?
Dy2 O43 2.600(5) . ?
Dy2 O44 2.400(5) . ?
Dy2 O46 2.374(4) . ?
Dy2 O48 2.200(3) . ?
Dy6 N12 2.480(4) . ?
Dy6 N14 2.571(5) . ?
Dy6 N15 2.562(4) . ?
Dy6 N17 2.491(4) . ?
Dy6 O34 2.226(4) . ?
Dy6 O36 2.367(4) . ?
Dy6 O37 2.375(4) . ?
Dy6 O38 2.244(4) . ?
Dy1 N1 2.552(4) . ?
Dy1 N3 2.539(4) . ?
Dy1 O2 2.161(4) . ?
Dy1 O3 2.475(4) . ?
Dy1 O5 2.663(4) . ?
Dy1 O6 2.361(4) . ?
Dy1 O7 2.374(4) . ?
Dy1 O8 2.586(4) . ?
Dy1 O9 2.251(3) . ?
Dy5 N25 2.553(4) . ?
Dy5 N27 2.560(4) . ?
Dy5 N28 2.937(5) . ?
Dy5 O16 2.274(3) . ?
Dy5 O17 2.601(3) . ?
Dy5 O18 2.396(4) . ?
Dy5 O19 2.397(4) . ?
Dy5 O20 2.450(4) . ?
Dy5 O21 2.631(4) . ?
Dy5 O23 2.171(3) . ?
Dy3 N32 2.499(4) . ?
Dy3 N34 2.566(5) . ?
Dy3 N35 2.547(5) . ?
Dy3 N37 2.497(4) . ?
Dy3 O10 2.213(4) . ?
Dy3 O12 2.367(4) . ?
Dy3 O13 2.359(5) . ?
Dy3 O14 2.206(4) . ?
Dy4 N21 2.602(4) . ?
Dy4 N24 2.588(4) . ?
Dy4 O25 2.208(3) . ?
Dy4 O27 2.358(4) . ?
Dy4 O28 2.454(4) . ?
Dy4 O29 2.683(4) . ?
Dy4 O31 2.391(3) . ?
Dy4 O32 2.262(3) . ?
Dy4 O33 2.578(3) . ?
N1 N2 1.386(6) . ?
N5 N6 1.386(6) . ?
N7 O3 1.287(6) . ?
N7 O4 1.227(7) . ?
N7 O5 1.255(6) . ?
N8 O43 1.239(9) . ?
N8 O44 1.367(9) . ?
N8 O45 1.246(10) . ?
N9 N10 1.372(6) . ?
N13 N14 1.389(6) . ?
N15 N16 1.384(6) . ?
N19 N20 1.371(6) . ?
N21 N22 1.381(6) . ?
N23 O28 1.274(6) . ?
N23 O29 1.262(5) . ?
N23 O30 1.238(6) . ?
N26 N27 1.381(6) . ?
N28 O20 1.251(6) . ?
N28 O21 1.260(6) . ?
N28 O22 1.233(7) . ?
N29 N30 1.369(6) . ?
N33 N34 1.397(6) . ?
N35 N36 1.385(6) . ?
N39 N40 1.376(7) . ?
N42 O67 1.258(8) . ?
N42 O68 1.221(8) . ?
N42 O69 1.231(7) . ?
N43 O49 1.272(6) . ?
N43 O50 1.242(7) . ?
N43 O72 1.235(7) . ?

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
C3 C2 C7 120.8(5) . . ?
O1 C2 C3 123.9(5) . . ?
O1 C2 C7 115.3(5) . . ?
C4 C3 C2 119.9(5) . . ?
C5 C4 C3 120.4(5) . . ?
C4 C5 C6 121.0(5) . . ?
C5 C6 C8 118.2(5) . . ?
C7 C6 C5 118.6(5) . . ?
C7 C6 C8 123.1(5) . . ?
C2 C7 C6 119.2(5) . . ?
O2 C7 C2 120.0(5) . . ?
O2 C7 C6 120.7(5) . . ?
N1 C8 C6 126.4(5) . . ?
C141 C10 C11 117.5(5) . . ?
N4 C11 C10 122.3(5) . . ?
N5 C11 C10 119.7(5) . . ?
N5 C11 N4 118.0(5) . . ?
N4 C12 N3 128.9(5) . . ?
N6 C13 C14 126.9(4) . . ?
C15 C14 C13 117.6(4) . . ?
C15 C14 C142 120.7(5) . . ?
C142 C14 C13 121.7(5) . . ?
C16 C15 C14 120.6(5) . . ?
C15 C16 C17 120.3(5) . . ?
C16 C17 C18 120.2(5) . . ?
C17 C18 C142 122.1(5) . . ?
C17 C18 O47 123.9(5) . . ?
O47 C18 C142 114.0(4) . . ?
C23 C22 C27 121.8(5) . . ?
O41 C22 C23 125.9(5) . . ?
O41 C22 C27 112.2(5) . . ?
C22 C23 C24 119.9(6) . . ?
C25 C24 C23 119.6(6) . . ?
C24 C25 C26 121.2(6) . . ?
C25 C26 C28 120.6(5) . . ?
C27 C26 C25 120.3(5) . . ?
C27 C26 C28 119.0(5) . . ?
C26 C27 C22 117.1(5) . . ?
O40 C27 C22 118.7(5) . . ?
O40 C27 C26 124.2(5) . . ?
N9 C28 C26 121.3(5) . . ?
N10 C29 C30 123.8(5) . . ?
N10 C29 N11 114.4(5) . . ?
N11 C29 C30 121.8(5) . . ?
C29 C30 C31 116.6(5) . . ?
N12 C31 C30 122.7(5) . . ?
N13 C31 C30 120.7(5) . . ?
N13 C31 N12 116.5(5) . . ?
N11 C32 N12 128.7(5) . . ?
N14 C33 C34 125.9(5) . . ?
C35 C34 C33 115.3(5) . . ?
C39 C34 C33 123.1(5) . . ?
C39 C34 C35 121.6(5) . . ?
C36 C35 C34 120.6(6) . . ?
C35 C36 C37 119.0(7) . . ?
C38 C37 C36 121.0(6) . . ?
C37 C38 C39 122.2(6) . . ?
C37 C38 O39 123.8(5) . . ?
O39 C38 C39 113.9(5) . . ?
C34 C39 C38 115.5(5) . . ?
O38 C39 C34 124.7(5) . . ?
O38 C39 C38 119.8(5) . . ?
C43 C42 C47 122.9(6) . . ?
C43 C42 O35 120.5(6) . . ?
O35 C42 C47 116.4(6) . . ?
C42 C43 C44 119.8(6) . . ?
C45 C44 C43 118.5(7) . . ?
C44 C45 C46 122.6(7) . . ?
C45 C46 C47 120.2(5) . . ?
C45 C46 C48 116.4(5) . . ?
C47 C46 C48 123.4(5) . . ?
C46 C47 C42 115.7(6) . . ?
O34 C47 C42 121.4(6) . . ?
O34 C47 C46 122.9(5) . . ?
N15 C48 C46 125.0(5) . . ?
N16 C49 C50 121.5(5) . . ?
N16 C49 N17 116.6(5) . . ?
N17 C49 C50 121.9(5) . . ?
C51 C50 C49 117.6(5) . . ?
C50 C51 N18 122.0(5) . . ?
N19 C51 C50 124.4(5) . . ?
N19 C51 N18 113.6(5) . . ?
N18 C52 N17 129.3(5) . . ?
N20 C53 C54 120.7(5) . . ?
C55 C54 C53 121.6(5) . . ?
C55 C54 C59 120.7(5) . . ?
C59 C54 C53 117.7(5) . . ?
C56 C55 C54 120.8(5) . . ?
C55 C56 C57 119.8(5) . . ?
C58 C57 C56 120.1(5) . . ?
C57 C58 C59 122.1(5) . . ?
C57 C58 O33 125.9(5) . . ?
O33 C58 C59 112.0(4) . . ?
C54 C59 C58 116.5(5) . . ?
O32 C59 C54 124.3(4) . . ?
O32 C59 C58 119.1(4) . . ?
C63 C62 C67 122.4(5) . . ?
O26 C62 C63 123.1(5) . . ?
O26 C62 C67 114.5(5) . . ?
C62 C63 C64 119.6(5) . . ?
C65 C64 C63 119.9(5) . . ?
C64 C65 C66 120.7(5) . . ?
C65 C66 C67 120.3(5) . . ?
C65 C66 C68 117.5(5) . . ?
C67 C66 C68 122.2(5) . . ?
C62 C67 C66 117.0(5) . . ?
O25 C67 C62 120.7(5) . . ?
O25 C67 C66 122.3(5) . . ?
N21 C68 C66 126.7(5) . . ?
N22 C69 C70 120.4(4) . . ?
N22 C69 N24 117.0(4) . . ?
N24 C69 C70 122.6(4) . . ?
C69 C70 C71 117.6(4) . . ?
N25 C71 C70 121.1(4) . . ?
N26 C71 C70 120.1(4) . . ?
N26 C71 N25 118.9(4) . . ?
N25 C72 N24 128.3(4) . . ?
N27 C73 C74 126.3(5) . . ?
C75 C74 C73 118.1(5) . . ?
C79 C74 C73 122.2(5) . . ?
C79 C74 C75 119.7(5) . . ?
C76 C75 C74 119.9(5) . . ?
C75 C76 C77 121.5(5) . . ?
C76 C77 C78 119.8(5) . . ?
C77 C78 C79 122.1(5) . . ?
C77 C78 O24 124.4(5) . . ?
O24 C78 C79 113.5(5) . . ?
C74 C79 C78 117.0(5) . . ?
O23 C79 C74 122.8(5) . . ?
O23 C79 C78 120.2(5) . . ?
C83 C82 C87 123.1(5) . . ?
O17 C82 C83 124.3(5) . . ?
O17 C82 C87 112.6(5) . . ?
C84 C83 C82 118.6(5) . . ?
C85 C84 C83 120.3(5) . . ?
C84 C85 C86 121.3(5) . . ?
C85 C86 C87 120.0(5) . . ?
C85 C86 C88 121.1(5) . . ?
C87 C86 C88 118.8(5) . . ?
C82 C87 C86 116.6(5) . . ?
O16 C87 C82 119.4(5) . . ?
O16 C87 C86 123.9(4) . . ?
N29 C88 C86 121.1(5) . . ?
N30 C89 C90 123.7(5) . . ?
N30 C89 N31 113.9(5) . . ?
N31 C89 C90 122.4(5) . . ?
C91 C90 C89 117.8(5) . . ?
N32 C91 C90 121.5(5) . . ?
N33 C91 C90 120.5(5) . . ?
N33 C91 N32 118.0(5) . . ?
N32 C92 N31 128.6(5) . . ?
N34 C93 C94 125.4(5) . . ?
C95 C94 C93 116.0(5) . . ?
C99 C94 C93 123.5(5) . . ?
C99 C94 C95 120.5(5) . . ?
C96 C95 C94 120.7(6) . . ?
C97 C96 C95 119.2(6) . . ?
C96 C97 C98 121.8(5) . . ?
C97 C98 C99 120.9(6) . . ?
C97 C98 O15 119.8(5) . . ?
O15 C98 C99 119.2(5) . . ?
C94 C99 C98 116.9(5) . . ?
O14 C99 C94 123.2(5) . . ?
O14 C99 C98 119.9(5) . . ?
C103 C102 C107 122.8(8) . . ?
C103 C102 O11 124.3(7) . . ?
O11 C102 C107 112.5(7) . . ?
C102 C103 C104 120.5(8) . . ?
C103 C104 C105 120.4(8) . . ?
C106 C105 C104 118.2(8) . . ?
C105 C106 C108 116.0(6) . . ?
C107 C106 C105 121.3(6) . . ?
C107 C106 C108 122.7(6) . . ?
C106 C107 C102 116.6(6) . . ?
O10 C107 C102 119.7(6) . . ?
O10 C107 C106 123.7(5) . . ?
N35 C108 C106 127.0(6) . . ?
N36 C109 C110 119.9(5) . . ?
N36 C109 N37 118.3(5) . . ?
N37 C109 C110 121.7(5) . . ?
C111 C110 C109 116.7(5) . . ?
N38 C111 C110 122.2(5) . . ?
N39 C111 C110 122.0(5) . . ?
N39 C111 N38 115.8(5) . . ?
N38 C112 N37 128.9(5) . . ?
N40 C113 C114 120.5(5) . . ?
C115 C114 C113 121.4(5) . . ?
C115 C114 C119 120.3(5) . . ?
C119 C114 C113 118.3(5) . . ?
C116 C115 C114 121.6(6) . . ?
C115 C116 C117 119.9(6) . . ?
C118 C117 C116 118.8(6) . . ?
C117 C118 C119 122.1(5) . . ?
C117 C118 O8 125.2(5) . . ?
O8 C118 C119 112.7(5) . . ?
C114 C119 C118 117.1(5) . . ?
O9 C119 C114 124.4(5) . . ?
O9 C119 C118 118.5(5) . . ?
N41 C121 C122 114.2(7) . . ?
C124 C123 N41 114.2(7) . . ?
C126 C125 N41 107.1(8) . . ?
N2 C141 C10 120.1(4) . . ?
N2 C141 N3 117.5(4) . . ?
N3 C141 C10 122.2(5) . . ?
C14 C142 C18 116.1(5) . . ?
O48 C142 C14 123.6(5) . . ?
O48 C142 C18 120.3(4) . . ?
N4 Dy2 N6 62.34(13) . . ?
N4 Dy2 N8 72.18(19) . . ?
N4 Dy2 O41 139.75(12) . . ?
N4 Dy2 O43 67.64(14) . . ?
N6 Dy2 N8 89.13(18) . . ?
N6 Dy2 O43 107.29(14) . . ?
O40 Dy2 N4 81.62(12) . . ?
O40 Dy2 N6 139.20(12) . . ?
O40 Dy2 N8 97.87(19) . . ?
O40 Dy2 O41 63.81(12) . . ?
O40 Dy2 O42 89.03(13) . . ?
O40 Dy2 O43 72.47(13) . . ?
O40 Dy2 O44 126.00(16) . . ?
O40 Dy2 O46 76.86(13) . . ?
O41 Dy2 N6 136.26(13) . . ?
O41 Dy2 N8 129.76(18) . . ?
O41 Dy2 O43 116.17(13) . . ?
O42 Dy2 N4 137.36(15) . . ?
O42 Dy2 N6 130.20(13) . . ?
O42 Dy2 N8 68.06(19) . . ?
O42 Dy2 O41 65.46(13) . . ?
O42 Dy2 O43 69.87(14) . . ?
O43 Dy2 N8 25.44(18) . . ?
O44 Dy2 N4 80.12(16) . . ?
O44 Dy2 N6 68.49(15) . . ?
O44 Dy2 N8 28.1(2) . . ?
O44 Dy2 O41 136.54(15) . . ?
O44 Dy2 O42 72.19(15) . . ?
O44 Dy2 O43 53.57(15) . . ?
O46 Dy2 N4 77.74(13) . . ?
O46 Dy2 N6 77.31(13) . . ?
O46 Dy2 N8 149.91(18) . . ?
O46 Dy2 O41 74.95(12) . . ?
O46 Dy2 O42 140.19(14) . . ?
O46 Dy2 O43 136.24(13) . . ?
O46 Dy2 O44 145.03(14) . . ?
O48 Dy2 N4 131.52(13) . . ?
O48 Dy2 N6 70.27(13) . . ?
O48 Dy2 N8 118.1(2) . . ?
O48 Dy2 O40 135.78(13) . . ?
O48 Dy2 O41 73.21(12) . . ?
O48 Dy2 O42 82.17(13) . . ?
O48 Dy2 O43 140.61(14) . . ?
O48 Dy2 O44 92.25(17) . . ?
O48 Dy2 O46 82.71(13) . . ?
N12 Dy6 N14 63.79(14) . . ?
N12 Dy6 N15 70.66(15) . . ?
N12 Dy6 N17 85.75(14) . . ?
N15 Dy6 N14 117.31(14) . . ?
N17 Dy6 N14 72.56(15) . . ?
N17 Dy6 N15 63.13(13) . . ?
O34 Dy6 N12 84.01(15) . . ?
O34 Dy6 N14 138.30(15) . . ?
O34 Dy6 N15 70.78(13) . . ?
O34 Dy6 N17 133.61(15) . . ?
O34 Dy6 O36 75.33(16) . . ?
O34 Dy6 O37 80.52(15) . . ?
O34 Dy6 O38 131.80(13) . . ?
O36 Dy6 N12 84.87(16) . . ?
O36 Dy6 N14 76.02(16) . . ?
O36 Dy6 N15 139.69(14) . . ?
O36 Dy6 N17 148.19(16) . . ?
O36 Dy6 O37 120.84(16) . . ?
O37 Dy6 N12 144.78(15) . . ?
O37 Dy6 N14 140.80(15) . . ?
O37 Dy6 N15 74.39(14) . . ?
O37 Dy6 N17 82.46(16) . . ?
O38 Dy6 N12 135.10(15) . . ?
O38 Dy6 N14 71.47(14) . . ?
O38 Dy6 N15 138.60(14) . . ?
O38 Dy6 N17 84.43(14) . . ?
O38 Dy6 O36 81.04(15) . . ?
O38 Dy6 O37 76.56(15) . . ?
N1 Dy1 O5 109.03(14) . . ?
N1 Dy1 O8 132.81(14) . . ?
N3 Dy1 N1 64.36(13) . . ?
N3 Dy1 O5 67.68(13) . . ?
N3 Dy1 O8 137.70(13) . . ?
O2 Dy1 N1 70.24(14) . . ?
O2 Dy1 N3 134.34(14) . . ?
O2 Dy1 O3 93.44(16) . . ?
O2 Dy1 O5 135.50(15) . . ?
O2 Dy1 O6 85.89(16) . . ?
O2 Dy1 O7 78.13(16) . . ?
O2 Dy1 O8 73.85(14) . . ?
O2 Dy1 O9 138.01(15) . . ?
O3 Dy1 N1 68.86(14) . . ?
O3 Dy1 N3 75.05(14) . . ?
O3 Dy1 O5 50.17(12) . . ?
O3 Dy1 O8 143.41(13) . . ?
O6 Dy1 N1 73.96(14) . . ?
O6 Dy1 N3 77.54(15) . . ?
O6 Dy1 O3 140.58(13) . . ?
O6 Dy1 O5 138.00(12) . . ?
O6 Dy1 O7 143.73(15) . . ?
O6 Dy1 O8 73.90(13) . . ?
O7 Dy1 N1 128.20(14) . . ?
O7 Dy1 N3 135.60(16) . . ?
O7 Dy1 O3 73.41(14) . . ?
O7 Dy1 O5 68.19(14) . . ?
O7 Dy1 O8 70.46(15) . . ?
O8 Dy1 O5 118.01(12) . . ?
O9 Dy1 N1 139.43(13) . . ?
O9 Dy1 N3 80.42(13) . . ?
O9 Dy1 O3 122.29(14) . . ?
O9 Dy1 O5 72.27(13) . . ?
O9 Dy1 O6 79.55(14) . . ?
O9 Dy1 O7 90.85(14) . . ?
O9 Dy1 O8 64.31(12) . . ?
N25 Dy5 N27 64.10(13) . . ?
N25 Dy5 N28 70.77(14) . . ?
N25 Dy5 O17 136.74(12) . . ?
N25 Dy5 O21 67.80(13) . . ?
N27 Dy5 N28 88.88(14) . . ?
N27 Dy5 O17 133.09(13) . . ?
N27 Dy5 O21 108.52(13) . . ?
O16 Dy5 N25 80.20(12) . . ?
O16 Dy5 N27 138.98(12) . . ?
O16 Dy5 N28 98.23(14) . . ?
O16 Dy5 O17 63.71(11) . . ?
O16 Dy5 O18 89.43(12) . . ?
O16 Dy5 O19 77.77(12) . . ?
O16 Dy5 O20 123.03(13) . . ?
O16 Dy5 O21 72.85(12) . . ?
O17 Dy5 N28 134.40(13) . . ?
O17 Dy5 O21 118.31(12) . . ?
O18 Dy5 N25 136.88(14) . . ?
O18 Dy5 N27 130.31(13) . . ?
O18 Dy5 N28 69.52(14) . . ?
O18 Dy5 O17 68.88(13) . . ?
O18 Dy5 O19 141.78(13) . . ?
O18 Dy5 O20 73.42(14) . . ?
O18 Dy5 O21 69.14(13) . . ?
O19 Dy5 N25 76.66(13) . . ?
O19 Dy5 N27 75.00(13) . . ?
O19 Dy5 N28 147.37(13) . . ?
O19 Dy5 O17 73.19(12) . . ?
O19 Dy5 O20 143.07(12) . . ?
O19 Dy5 O21 136.82(12) . . ?
O20 Dy5 N25 77.67(14) . . ?
O20 Dy5 N27 70.05(14) . . ?
O20 Dy5 N28 24.80(14) . . ?
O20 Dy5 O17 141.72(13) . . ?
O20 Dy5 O21 50.19(12) . . ?
O21 Dy5 N28 25.39(13) . . ?
O23 Dy5 N25 133.90(13) . . ?
O23 Dy5 N27 70.26(13) . . ?
O23 Dy5 N28 115.44(15) . . ?
O23 Dy5 O16 137.36(13) . . ?
O23 Dy5 O17 73.93(12) . . ?
O23 Dy5 O18 79.47(13) . . ?
O23 Dy5 O19 85.96(14) . . ?
O23 Dy5 O20 93.16(14) . . ?
O23 Dy5 O21 136.65(14) . . ?
N32 Dy3 N34 64.35(14) . . ?
N32 Dy3 N35 72.98(15) . . ?
N35 Dy3 N34 119.04(14) . . ?
N37 Dy3 N32 91.26(14) . . ?
N37 Dy3 N34 75.27(14) . . ?
N37 Dy3 N35 63.99(14) . . ?
O10 Dy3 N32 80.47(14) . . ?
O10 Dy3 N34 135.03(15) . . ?
O10 Dy3 N35 71.61(14) . . ?
O10 Dy3 N37 135.28(15) . . ?
O10 Dy3 O12 75.06(15) . . ?
O10 Dy3 O13 80.77(16) . . ?
O12 Dy3 N32 83.19(15) . . ?
O12 Dy3 N34 73.82(14) . . ?
O12 Dy3 N35 141.54(14) . . ?
O12 Dy3 N37 147.88(15) . . ?
O13 Dy3 N32 147.45(16) . . ?
O13 Dy3 N34 142.92(15) . . ?
O13 Dy3 N35 75.96(16) . . ?
O13 Dy3 N37 83.69(16) . . ?
O13 Dy3 O12 117.00(16) . . ?
O14 Dy3 N32 135.15(15) . . ?
O14 Dy3 N34 71.03(14) . . ?
O14 Dy3 N35 137.35(14) . . ?
O14 Dy3 N37 81.56(14) . . ?
O14 Dy3 O10 133.36(14) . . ?
O14 Dy3 O12 80.39(14) . . ?
O14 Dy3 O13 75.99(15) . . ?
N21 Dy4 O29 107.43(12) . . ?
N24 Dy4 N21 63.26(12) . . ?
N24 Dy4 O29 66.70(12) . . ?
O25 Dy4 N21 69.53(13) . . ?
O25 Dy4 N24 132.53(12) . . ?
O25 Dy4 O27 85.95(14) . . ?
O25 Dy4 O28 92.36(13) . . ?
O25 Dy4 O29 136.09(13) . . ?
O25 Dy4 O31 79.92(13) . . ?
O25 Dy4 O32 140.09(13) . . ?
O25 Dy4 O33 76.02(12) . . ?
O27 Dy4 N21 75.19(14) . . ?
O27 Dy4 N24 77.96(14) . . ?
O27 Dy4 O28 143.08(12) . . ?
O27 Dy4 O29 137.05(12) . . ?
O27 Dy4 O31 141.99(13) . . ?
O27 Dy4 O33 74.78(12) . . ?
O28 Dy4 N21 69.76(13) . . ?
O28 Dy4 N24 76.28(12) . . ?
O28 Dy4 O29 49.62(11) . . ?
O28 Dy4 O33 140.36(11) . . ?
O31 Dy4 N21 129.98(12) . . ?
O31 Dy4 N24 135.95(13) . . ?
O31 Dy4 O28 73.10(12) . . ?
O31 Dy4 O29 69.38(12) . . ?
O31 Dy4 O33 67.63(12) . . ?
O32 Dy4 N21 138.91(12) . . ?
O32 Dy4 N24 80.29(12) . . ?
O32 Dy4 O27 79.40(13) . . ?
O32 Dy4 O28 121.11(12) . . ?
O32 Dy4 O29 71.51(11) . . ?
O32 Dy4 O31 89.19(12) . . ?
O32 Dy4 O33 64.38(11) . . ?
O33 Dy4 N21 135.29(13) . . ?
O33 Dy4 N24 138.45(11) . . ?
O33 Dy4 O29 117.15(11) . . ?
C8 N1 Dy1 130.3(3) . . ?
C8 N1 N2 112.9(4) . . ?
N2 N1 Dy1 116.7(3) . . ?
C141 N2 N1 121.3(4) . . ?
C12 N3 C141 114.1(4) . . ?
C12 N3 Dy1 125.8(3) . . ?
C141 N3 Dy1 119.8(3) . . ?
C11 N4 Dy2 119.4(3) . . ?
C12 N4 C11 114.9(4) . . ?
C12 N4 Dy2 125.0(3) . . ?
C11 N5 N6 120.6(4) . . ?
C13 N6 Dy2 130.1(3) . . ?
C13 N6 N5 114.1(4) . . ?
N5 N6 Dy2 115.6(3) . . ?
O4 N7 O3 119.4(5) . . ?
O4 N7 O5 122.1(5) . . ?
O5 N7 O3 118.5(5) . . ?
O43 N8 Dy2 64.4(4) . . ?
O43 N8 O44 120.2(7) . . ?
O43 N8 O45 122.4(8) . . ?
O44 N8 Dy2 55.9(3) . . ?
O45 N8 Dy2 171.7(7) . . ?
O45 N8 O44 117.3(8) . . ?
C28 N9 N10 115.1(4) . . ?
C29 N10 N9 119.6(4) . . ?
C32 N11 C29 115.9(5) . . ?
C31 N12 Dy6 121.4(3) . . ?
C32 N12 C31 114.1(4) . . ?
C32 N12 Dy6 124.1(4) . . ?
C31 N13 N14 120.5(4) . . ?
C33 N14 Dy6 130.5(4) . . ?
C33 N14 N13 114.5(5) . . ?
N13 N14 Dy6 115.0(3) . . ?
C48 N15 Dy6 130.9(3) . . ?
C48 N15 N16 113.7(4) . . ?
N16 N15 Dy6 115.3(3) . . ?
C49 N16 N15 119.1(4) . . ?
C49 N17 Dy6 121.1(3) . . ?
C52 N17 C49 114.6(4) . . ?
C52 N17 Dy6 124.1(4) . . ?
C52 N18 C51 114.2(4) . . ?
C51 N19 N20 119.4(4) . . ?
C53 N20 N19 114.3(4) . . ?
C68 N21 Dy4 131.2(4) . . ?
C68 N21 N22 113.4(4) . . ?
N22 N21 Dy4 115.4(3) . . ?
C69 N22 N21 121.9(4) . . ?
O29 N23 O28 117.2(4) . . ?
O30 N23 O28 121.7(4) . . ?
O30 N23 O29 121.1(4) . . ?
C69 N24 Dy4 119.5(3) . . ?
C72 N24 C69 114.0(4) . . ?
C72 N24 Dy4 126.1(3) . . ?
C71 N25 Dy5 118.6(3) . . ?
C72 N25 C71 116.5(4) . . ?
C72 N25 Dy5 124.3(3) . . ?
C71 N26 N27 121.3(4) . . ?
C73 N27 Dy5 130.8(3) . . ?
C73 N27 N26 112.9(4) . . ?
N26 N27 Dy5 116.3(3) . . ?
O20 N28 Dy5 55.2(3) . . ?
O20 N28 O21 118.8(5) . . ?
O21 N28 Dy5 63.6(3) . . ?
O22 N28 Dy5 175.9(5) . . ?
O22 N28 O20 121.4(6) . . ?
O22 N28 O21 119.8(6) . . ?
C88 N29 N30 115.7(4) . . ?
C89 N30 N29 119.5(4) . . ?
C92 N31 C89 114.2(4) . . ?
C91 N32 Dy3 120.9(3) . . ?
C92 N32 C91 115.3(4) . . ?
C92 N32 Dy3 123.8(4) . . ?
C91 N33 N34 120.5(5) . . ?
C93 N34 Dy3 131.0(4) . . ?
C93 N34 N33 112.9(4) . . ?
N33 N34 Dy3 116.2(3) . . ?
C108 N35 Dy3 129.5(4) . . ?
C108 N35 N36 115.5(5) . . ?
N36 N35 Dy3 114.9(3) . . ?
C109 N36 N35 119.8(5) . . ?
C109 N37 Dy3 119.1(3) . . ?
C112 N37 C109 115.0(4) . . ?
C112 N37 Dy3 125.3(4) . . ?
C112 N38 C111 114.9(5) . . ?
C111 N39 N40 118.9(5) . . ?
C113 N40 N39 115.4(5) . . ?
C121 N41 C123 109.5(6) . . ?
C121 N41 C125 109.3(6) . . ?
C123 N41 C125 108.4(6) . . ?
O68 N42 O67 120.3(7) . . ?
O68 N42 O69 119.6(7) . . ?
O69 N42 O67 119.7(6) . . ?
O50 N43 O49 119.1(5) . . ?
O72 N43 O49 119.4(6) . . ?
O72 N43 O50 121.5(6) . . ?
C2 O1 C1 119.1(5) . . ?
C7 O2 Dy1 147.7(4) . . ?
N7 O3 Dy1 99.7(3) . . ?
N7 O5 Dy1 91.6(3) . . ?
C131 O6 Dy1 126.8(4) . . ?
C146 O7 Dy1 128.7(4) . . ?
C118 O8 C120 116.5(5) . . ?
C118 O8 Dy1 113.1(3) . . ?
C120 O8 Dy1 129.7(4) . . ?
C119 O9 Dy1 122.8(3) . . ?
C107 O10 Dy3 142.3(4) . . ?
C102 O11 C101 114.6(7) . . ?
C129 O12 Dy3 135.9(3) . . ?
C99 O14 Dy3 145.8(3) . . ?
C100 O15 C98 113.7(6) . . ?
C87 O16 Dy5 122.3(3) . . ?
C81 O17 Dy5 129.0(3) . . ?
C82 O17 C81 118.0(4) . . ?
C82 O17 Dy5 112.8(3) . . ?
C127 O19 Dy5 127.3(3) . . ?
N28 O20 Dy5 100.0(3) . . ?
N28 O21 Dy5 91.0(3) . . ?
C79 O23 Dy5 147.4(3) . . ?
C78 O24 C80 117.7(5) . . ?
C67 O25 Dy4 144.4(3) . . ?
C62 O26 C61 118.2(4) . . ?
C128 O27 Dy4 130.5(5) . . ?
N23 O28 Dy4 101.9(3) . . ?
N23 O29 Dy4 91.2(3) . . ?
C59 O32 Dy4 122.6(3) . . ?
C58 O33 C60 115.7(4) . . ?
C58 O33 Dy4 114.1(3) . . ?
C60 O33 Dy4 130.0(3) . . ?
C47 O34 Dy6 141.1(3) . . ?
C41 O35 C42 114.2(9) . . ?
C39 O38 Dy6 141.5(4) . . ?
C38 O39 C40 118.9(5) . . ?
C27 O40 Dy2 123.4(3) . . ?
C21 O41 Dy2 128.8(3) . . ?
C22 O41 C21 116.4(4) . . ?
C22 O41 Dy2 114.7(3) . . ?
C145 O42 Dy2 129.0(5) . . ?
N8 O43 Dy2 90.2(4) . . ?
N8 O44 Dy2 96.0(4) . . ?
C130 O46 Dy2 128.9(3) . . ?
C18 O47 C20 116.7(4) . . ?
C142 O48 Dy2 145.2(3) . . ?

_shelx_SHELXL_version_number     2014/7
_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_Dy12Na4
_database_code_depnum_ccdc_archive 'CCDC 1536333'
loop_
_audit_author_name
_audit_author_address
'Li lixl'
'Changchun Institute of Applied Chemistry Chinese Academy of Sciences'
_audit_update_record             
;
2022-07-15 deposited with the CCDC.	2022-07-21 downloaded from the CCDC.
;
_audit_creation_date             2017-01-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5289)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C224 H222 Dy12 N50 Na4 O84, 10(O)'
_chemical_formula_sum            'C224 H222 Dy12 N50 Na4 O94'
_chemical_formula_weight         7160.46
_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'
Na Na 0.0362 0.0249 '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      tetragonal
_space_group_IT_number           142
_space_group_name_H-M_alt        'I 41/a c d'
_space_group_name_Hall           '-I 4bd 2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y+1/4, x+3/4, z+1/4'
'-x+1/2, -y, z+1/2'
'y+1/4, -x+1/4, z+3/4'
'x, -y, -z+1/2'
'y+1/4, x+3/4, -z+3/4'
'-x+1/2, y, -z'
'-y+1/4, -x+1/4, -z+1/4'
'x+1/2, y+1/2, z+1/2'
'-y+3/4, x+5/4, z+3/4'
'-x+1, -y+1/2, z+1'
'y+3/4, -x+3/4, z+5/4'
'x+1/2, -y+1/2, -z+1'
'y+3/4, x+5/4, -z+5/4'
'-x+1, y+1/2, -z+1/2'
'-y+3/4, -x+3/4, -z+3/4'
'-x, -y, -z'
'y-1/4, -x-3/4, -z-1/4'
'x-1/2, y, -z-1/2'
'-y-1/4, x-1/4, -z-3/4'
'-x, y, z-1/2'
'-y-1/4, -x-3/4, z-3/4'
'x-1/2, -y, z'
'y-1/4, x-1/4, z-1/4'
'-x+1/2, -y+1/2, -z+1/2'
'y+1/4, -x-1/4, -z+1/4'
'x, y+1/2, -z'
'-y+1/4, x+1/4, -z-1/4'
'-x+1/2, y+1/2, z'
'-y+1/4, -x-1/4, z-1/4'
'x, -y+1/2, z+1/2'
'y+1/4, x+1/4, z+1/4'

_cell_length_a                   32.0539(6)
_cell_length_b                   32.0539(6)
_cell_length_c                   56.6487(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     58204(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7692
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.131
_cell_measurement_theta_min      2.22
_shelx_estimated_absorpt_T_max   0.613
_shelx_estimated_absorpt_T_min   0.510
_exptl_absorpt_coefficient_mu    3.134
_exptl_absorpt_correction_T_max  0.606
_exptl_absorpt_correction_T_min  0.513
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             28032
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0831
_diffrn_reflns_av_unetI/netI     0.0900
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.891
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       77
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            68692
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.891
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.131
_diffrn_reflns_theta_min         2.890
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.891
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_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                8479
_reflns_number_total             17461
_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  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         4.229
_refine_diff_density_min         -1.407
_refine_diff_density_rms         0.215
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     876
_refine_ls_number_reflns         17461
_refine_ls_number_restraints     63
_refine_ls_R_factor_all          0.1725
_refine_ls_R_factor_gt           0.0807
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1296P)²+1049.6730P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2040
_refine_ls_wR_factor_ref         0.2833
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 O23-O25
 2.7 with sigma of 0.01
 C52-N13
 1.15 with sigma of 0.01
 C52-C53
 1.4 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C30) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33)
\\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C52) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O15) \\sim Ueq, Uanis(N13) \\sim Ueq, Uanis(O25) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: H53A(0.5) H53B(0.5) H53C(0.5)
5.a Riding coordinates:
 O10(H10A,H10B), N2(H2), N5(H5), N8(H8), N11(H11)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5A), C8(H8A), C12(H12), C13(H13), C14(H14), C17(H17),
 C20(H20), C21(H21), C22(H22), C25(H25), C27(H27), C28(H28), C31(H31), C32(H32),
  C33(H33), C36(H36), C38(H38), C40(H40), C41(H41), C43(H43), C44(H44), C45(H45)
5.c Idealised Me refined with riding coordinates and stretchable bonds:
 C53(H53A,H53B,H53C)
5.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C10(H10C,H10D,H10E), C18(H18A,H18B,H18C), C29(H29A,H29B,
 H29C), C48(H48A,H48B,H48C), C51(H51A,H51B,H51C), C55(H55A,H55B,H55C), C57(H57A,
 H57B,H57C)
;
_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 -0.85904(2) -0.19496(2) 0.12049(2) 0.04924(19) Uani 1 1 d . . . . .
Dy2 Dy -1.00433(2) -0.19156(2) 0.26102(2) 0.0512(2) Uani 1 1 d . . . . .
Dy3 Dy -0.89338(2) -0.20178(2) 0.24837(2) 0.0505(2) Uani 1 1 d . . . . .
Na1 Na -0.7477(2) -0.1963(2) 0.10307(13) 0.088(2) Uani 1 1 d . . . . .
O1 O -0.7490(4) -0.1170(5) 0.0965(3) 0.107(4) Uani 1 1 d . . . . .
O2 O -0.8123(3) -0.1669(3) 0.09650(16) 0.064(2) Uani 1 1 d . . . . .
O3 O -0.8847(3) -0.1249(3) 0.11609(16) 0.061(2) Uani 1 1 d . . . . .
O4 O -0.8286(3) -0.1542(3) 0.14932(14) 0.052(2) Uani 1 1 d . . . . .
O5 O -0.7604(4) -0.1378(4) 0.1730(2) 0.104(4) Uani 1 1 d . . . . .
O6 O -0.9897(3) -0.4444(3) 0.12734(17) 0.058(2) Uani 1 1 d . . . . .
O7 O -1.0241(4) -0.5103(3) 0.1454(2) 0.080(3) Uani 1 1 d . . . . .
O8 O -0.7051(4) -0.2062(4) 0.1395(2) 0.097(4) Uani 1 1 d . . . . .
O9 O -0.6663(5) -0.1839(5) 0.1006(3) 0.127(5) Uani 1 1 d . . . . .
O10 O -0.7367(5) -0.1990(6) 0.0599(3) 0.144(6) Uani 1 1 d . . . . .
H10A H -0.7279 -0.1716 0.0515 0.216 Uiso 1 1 d R . . . .
H10B H -0.7140 -0.2190 0.0538 0.216 Uiso 1 1 d R . . . .
O11 O -1.0214(3) -0.1227(3) 0.24434(19) 0.066(3) Uani 1 1 d . . . . .
O12 O -0.9514(3) -0.1625(3) 0.23686(16) 0.057(2) Uani 1 1 d . . . . .
O13 O -1.0320(3) -0.2059(3) 0.22240(14) 0.058(2) Uani 1 1 d . . . . .
O14 O -1.0734(3) -0.1839(3) 0.2695(2) 0.080(3) Uani 1 1 d . . . . .
O15 O -0.9867(4) -0.1430(4) 0.2913(2) 0.099(4) Uani 1 1 d . U . . .
O16 O -0.9351(3) -0.1859(3) 0.28185(15) 0.059(2) Uani 1 1 d . . . . .
N13 N -1.0000 -0.2500 0.2893(3) 0.106(7) Uani 1 2 d DS TU P . .
O18 O -0.9573(2) -0.2439(3) 0.24820(13) 0.049(2) Uani 1 1 d . . . . .
O19 O -1.0836(3) -0.2513(3) 0.21758(14) 0.049(2) Uani 1 1 d . . . . .
O20 O -0.8666(4) -0.1323(4) 0.25681(18) 0.080(3) Uani 1 1 d . . . . .
O21 O -0.8384(3) -0.1844(4) 0.27600(16) 0.068(3) Uani 1 1 d . . . . .
O22 O -1.1195(3) -0.2356(3) 0.26799(16) 0.058(2) Uani 1 1 d . . . . .
N1 N -0.8896(4) -0.1871(4) 0.0795(2) 0.062(3) Uani 1 1 d . . . . .
N2 N -0.9214(4) -0.2133(3) 0.07243(19) 0.060(3) Uani 1 1 d . . . . .
H2 H -0.9367 -0.2070 0.0605 0.072 Uiso 1 1 d R . . . .
N3 N -0.9041(3) -0.2553(3) 0.10488(18) 0.053(3) Uani 1 1 d . . . . .
N4 N -0.9917(4) -0.3806(4) 0.09353(18) 0.057(3) Uani 1 1 d . . . . .
N5 N -0.9850(4) -0.3444(3) 0.08071(19) 0.055(3) Uani 1 1 d . . . . .
H5 H -0.9978 -0.3410 0.0675 0.066 Uiso 1 1 d R . . . .
N6 N -0.9368(4) -0.3212(4) 0.10934(19) 0.058(3) Uani 1 1 d . . . . .
N7 N -0.7023(4) -0.2498(4) 0.1794(2) 0.070(3) Uani 1 1 d . . . . .
N8 N -0.7180(4) -0.2650(4) 0.1994(2) 0.066(3) Uani 1 1 d . . . . .
H8 H -0.7043 -0.2836 0.2071 0.080 Uiso 1 1 d R . . . .
N9 N -0.7688(4) -0.2712(4) 0.2280(2) 0.071(3) Uani 1 1 d . . . . .
N10 N -0.8276(3) -0.2260(4) 0.22884(18) 0.055(3) Uani 1 1 d . . . . .
N11 N -0.8394(3) -0.1793(4) 0.1985(2) 0.062(3) Uani 1 1 d . . . . .
H11 H -0.8318 -0.1680 0.1854 0.075 Uiso 1 1 d R . . . .
N12 N -0.8759(3) -0.1670(4) 0.2091(2) 0.060(3) Uani 1 1 d . . . . .
C1 C -0.7183(7) -0.0885(8) 0.1005(4) 0.133(9) Uani 1 1 d . . . . .
H1A H -0.7014 -0.0975 0.1136 0.199 Uiso 1 1 calc GR . . . .
H1B H -0.7306 -0.0620 0.1042 0.199 Uiso 1 1 calc GR . . . .
H1C H -0.7012 -0.0860 0.0867 0.199 Uiso 1 1 calc GR . . . .
C2 C -0.7805(6) -0.1061(5) 0.0816(3) 0.079(5) Uani 1 1 d . . . . .
C3 C -0.7812(7) -0.0712(7) 0.0674(4) 0.105(6) Uani 1 1 d . . . . .
H3 H -0.7598 -0.0517 0.0683 0.126 Uiso 1 1 calc R . . . .
C4 C -0.8151(7) -0.0652(7) 0.0515(4) 0.108(7) Uani 1 1 d . . . . .
H4 H -0.8157 -0.0420 0.0416 0.129 Uiso 1 1 calc R . . . .
C5 C -0.8468(6) -0.0939(6) 0.0506(3) 0.092(6) Uani 1 1 d . . . . .
H5A H -0.8682 -0.0907 0.0397 0.110 Uiso 1 1 calc R . . . .
C6 C -0.8472(5) -0.1279(5) 0.0660(3) 0.068(4) Uani 1 1 d . . . . .
C7 C -0.8148(6) -0.1352(5) 0.0822(3) 0.076(5) Uani 1 1 d . . . . .
C8 C -0.8816(5) -0.1578(4) 0.0638(3) 0.065(4) Uani 1 1 d . . . . .
H8A H -0.8987 -0.1561 0.0506 0.078 Uiso 1 1 calc R . . . .
C9 C -0.9281(4) -0.2494(4) 0.0844(2) 0.050(3) Uani 1 1 d . . . . .
C10 C -0.7219(7) -0.1294(8) 0.1839(5) 0.140(9) Uani 1 1 d . U . . .
H10C H -0.7010 -0.1249 0.1721 0.209 Uiso 1 1 calc GR . . . .
H10D H -0.7140 -0.1527 0.1936 0.209 Uiso 1 1 calc GR . . . .
H10E H -0.7244 -0.1049 0.1936 0.209 Uiso 1 1 calc GR . . . .
C11 C -0.7779(6) -0.1048(6) 0.1615(3) 0.086(5) Uani 1 1 d . . . . .
C12 C -0.7643(6) -0.0646(7) 0.1605(4) 0.101(6) Uani 1 1 d . . . . .
H12 H -0.7389 -0.0586 0.1678 0.121 Uiso 1 1 calc R . . . .
C13 C -0.7841(8) -0.0336(7) 0.1502(5) 0.140(10) Uani 1 1 d . . . . .
H13 H -0.7747 -0.0062 0.1514 0.168 Uiso 1 1 calc R . . . .
C14 C -0.8217(6) -0.0443(6) 0.1365(4) 0.105(7) Uani 1 1 d . . . . .
H14 H -0.8360 -0.0233 0.1285 0.126 Uiso 1 1 calc R . . . .
C15 C -0.8361(6) -0.0838(5) 0.1354(3) 0.081(5) Uani 1 1 d . . . . .
C16 C -0.8154(5) -0.1169(5) 0.1488(3) 0.065(4) Uani 1 1 d . . . . .
C17 C -0.8713(5) -0.0914(5) 0.1214(2) 0.062(4) Uani 1 1 d . . . . .
H17 H -0.8856 -0.0682 0.1158 0.075 Uiso 1 1 calc R . . . .
C18 C -1.0445(7) -0.5440(7) 0.1574(4) 0.118(8) Uani 1 1 d . . . . .
H18A H -1.0500 -0.5662 0.1464 0.177 Uiso 1 1 calc GR . . . .
H18B H -1.0703 -0.5343 0.1640 0.177 Uiso 1 1 calc GR . . . .
H18C H -1.0268 -0.5541 0.1698 0.177 Uiso 1 1 calc GR . . . .
C19 C -1.0410(5) -0.4965(4) 0.1244(3) 0.063(4) Uani 1 1 d . . . . .
C20 C -1.0723(7) -0.5156(6) 0.1124(4) 0.097(6) Uani 1 1 d . . . . .
H20 H -1.0837 -0.5404 0.1180 0.116 Uiso 1 1 calc R . . . .
C21 C -1.0869(5) -0.4980(5) 0.0922(3) 0.071(4) Uani 1 1 d . . . . .
H21 H -1.1096 -0.5098 0.0844 0.085 Uiso 1 1 calc R . . . .
C22 C -1.0682(5) -0.4630(5) 0.0834(3) 0.068(4) Uani 1 1 d . . . . .
H22 H -1.0776 -0.4521 0.0691 0.081 Uiso 1 1 calc R . . . .
C23 C -1.0360(5) -0.4437(4) 0.0948(2) 0.061(4) Uani 1 1 d . . . . .
C24 C -1.0216(6) -0.4603(5) 0.1163(3) 0.076(5) Uani 1 1 d . . . . .
C25 C -1.0199(5) -0.4045(5) 0.0846(2) 0.062(4) Uani 1 1 d . . . . .
H25 H -1.0313 -0.3961 0.0703 0.075 Uiso 1 1 calc R . . . .
C26 C -0.9592(4) -0.3144(4) 0.0883(2) 0.048(3) Uani 1 1 d . . . . .
C27 C -0.9116(5) -0.2914(4) 0.1157(2) 0.058(3) Uani 1 1 d . . . . .
H27 H -0.8969 -0.2959 0.1296 0.069 Uiso 1 1 calc R . . . .
C28 C -0.9545(5) -0.2790(5) 0.0760(2) 0.065(4) Uani 1 1 d . . . . .
H28 H -0.9690 -0.2749 0.0620 0.078 Uiso 1 1 calc R . . . .
C29 C -0.6461(7) -0.1693(9) 0.0797(4) 0.134(9) Uani 1 1 d . . . . .
H29A H -0.6633 -0.1486 0.0723 0.201 Uiso 1 1 calc GR . . . .
H29B H -0.6418 -0.1922 0.0691 0.201 Uiso 1 1 calc GR . . . .
H29C H -0.6197 -0.1572 0.0838 0.201 Uiso 1 1 calc GR . . . .
C30 C -0.6444(7) -0.2072(7) 0.1160(4) 0.107(7) Uani 1 1 d . U . . .
C31 C -0.6044(10) -0.2236(10) 0.1106(5) 0.156(10) Uani 1 1 d . U . . .
H31 H -0.5881 -0.2118 0.0987 0.187 Uiso 1 1 calc R . . . .
C32 C -0.5895(9) -0.2598(10) 0.1240(5) 0.150(10) Uani 1 1 d . U . . .
H32 H -0.5706 -0.2792 0.1181 0.180 Uiso 1 1 calc R . . . .
C33 C -0.6068(11) -0.2619(11) 0.1469(6) 0.176(12) Uani 1 1 d . U . . .
H33 H -0.5906 -0.2725 0.1592 0.211 Uiso 1 1 calc R . . . .
C34 C -0.6464(5) -0.2491(8) 0.1517(4) 0.109(7) Uani 1 1 d . . . . .
C35 C -0.6641(5) -0.2213(6) 0.1356(3) 0.085(5) Uani 1 1 d . . . . .
C36 C -0.6666(5) -0.2621(7) 0.1736(3) 0.096(6) Uani 1 1 d . . . . .
H36 H -0.6525 -0.2803 0.1836 0.115 Uiso 1 1 calc R . . . .
C37 C -0.7557(4) -0.2514(5) 0.2078(2) 0.058(3) Uani 1 1 d . . . . .
C38 C -0.7785(4) -0.2208(5) 0.1968(2) 0.058(3) Uani 1 1 d . . . . .
H38 H -0.7702 -0.2087 0.1826 0.070 Uiso 1 1 calc R . . . .
C39 C -0.8154(4) -0.2092(5) 0.2085(2) 0.057(3) Uani 1 1 d . . . . .
C40 C -0.8033(4) -0.2562(5) 0.2369(2) 0.065(4) Uani 1 1 d . . . . .
H40 H -0.8121 -0.2685 0.2509 0.078 Uiso 1 1 calc R . . . .
C41 C -0.8955(4) -0.1393(4) 0.1970(2) 0.058(3) Uani 1 1 d . . . . .
H41 H -0.8828 -0.1306 0.1831 0.070 Uiso 1 1 calc R . . . .
C42 C -0.9351(4) -0.1201(4) 0.2026(2) 0.052(3) Uani 1 1 d . . . . .
C43 C -0.9487(5) -0.0876(5) 0.1876(3) 0.067(4) Uani 1 1 d . . . . .
H43 H -0.9318 -0.0801 0.1750 0.080 Uiso 1 1 calc R . . . .
C44 C -0.9844(5) -0.0673(5) 0.1907(3) 0.065(4) Uani 1 1 d . . . . .
H44 H -0.9916 -0.0456 0.1807 0.078 Uiso 1 1 calc R . . . .
C45 C -1.0112(5) -0.0787(5) 0.2093(3) 0.067(4) Uani 1 1 d . . . . .
H45 H -1.0368 -0.0654 0.2114 0.081 Uiso 1 1 calc R . . . .
C46 C -0.9983(5) -0.1105(4) 0.2245(2) 0.059(3) Uani 1 1 d . . . . .
C47 C -0.9602(4) -0.1320(4) 0.2221(2) 0.053(3) Uani 1 1 d . . . . .
C48 C -1.0553(5) -0.0971(6) 0.2524(4) 0.104(7) Uani 1 1 d . . . . .
H48A H -1.0681 -0.1098 0.2659 0.156 Uiso 1 1 calc GR . . . .
H48B H -1.0756 -0.0943 0.2400 0.156 Uiso 1 1 calc GR . . . .
H48C H -1.0450 -0.0700 0.2566 0.156 Uiso 1 1 calc GR . . . .
C49 C -1.0533(5) -0.2364(5) 0.2282(2) 0.055(3) Uani 1 1 d . . . . .
C50 C -1.1073(4) -0.2006(4) 0.2746(2) 0.051(3) Uani 1 1 d . . . . .
C51 C -1.1358(7) -0.1742(7) 0.2890(4) 0.127(8) Uani 1 1 d . U . . .
H51A H -1.1334 -0.1819 0.3053 0.191 Uiso 1 1 calc GR . . . .
H51B H -1.1640 -0.1784 0.2839 0.191 Uiso 1 1 calc GR . . . .
H51C H -1.1284 -0.1454 0.2872 0.191 Uiso 1 1 calc GR . . . .
C52 C -1.0000 -0.2500 0.3093(3) 0.082(7) Uani 1 2 d DS TU P . .
C53 C -1.0000 -0.2500 0.3336(3) 0.130(14) Uani 1 2 d DS T P . .
H53A H -1.031(6) -0.25000(2) 0.3399(13) 0.195 Uiso 0.5 1 calc GR . . A -1
H53B H -0.984(3) -0.223(5) 0.3399(13) 0.195 Uiso 0.5 1 calc GR . . A -1
H53C H -0.984(3) -0.277(5) 0.3399(13) 0.195 Uiso 0.5 1 calc GR . . A -1
C54 C -0.9479(6) -0.1556(6) 0.2949(3) 0.084(5) Uani 1 1 d . . . . .
C55 C -0.9217(6) -0.1370(6) 0.3132(3) 0.089(5) Uani 1 1 d . . . . .
H55A H -0.9371 -0.1355 0.3277 0.134 Uiso 1 1 calc GR . . . .
H55B H -0.9134 -0.1095 0.3084 0.134 Uiso 1 1 calc GR . . . .
H55C H -0.8973 -0.1540 0.3155 0.134 Uiso 1 1 calc GR . . . .
C56 C -0.8403(6) -0.1462(7) 0.2713(3) 0.082(5) Uani 1 1 d . . . . .
C57 C -0.8120(8) -0.1151(7) 0.2847(5) 0.143(10) Uani 1 1 d . . . . .
H57A H -0.8051 -0.1265 0.2999 0.214 Uiso 1 1 calc GR . . . .
H57B H -0.8265 -0.0892 0.2867 0.214 Uiso 1 1 calc GR . . . .
H57C H -0.7869 -0.1105 0.2758 0.214 Uiso 1 1 calc GR . . . .
O23 O -0.7038(8) -0.3440(11) 0.0102(7) 0.37(3) Uani 1 1 d D . . . .
O24 O -0.6432(19) -0.3932(19) 0.1250 0.53(6) Uani 1 2 d S T P . .
O25 O -0.7067(11) -0.2705(11) 0.0330(6) 0.313(16) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Na1 3.702(7) . ?
Dy1 O2 2.214(9) . ?
Dy1 O3 2.405(10) . ?
Dy1 O4 2.308(9) . ?
Dy1 O6 2.237(9) 20_466 ?
Dy1 N1 2.532(11) . ?
Dy1 N3 2.571(11) . ?
Dy1 N4 2.551(11) 20_466 ?
Dy1 N6 2.523(11) 20_466 ?
Dy2 Dy3 3.6427(9) . ?
Dy2 O11 2.463(10) . ?
Dy2 O12 2.370(9) . ?
Dy2 O13 2.405(8) . ?
Dy2 O14 2.280(10) . ?
Dy2 O15 2.385(12) . ?
Dy2 O16 2.519(9) . ?
Dy2 N13 2.468(12) . ?
Dy2 O18 2.513(9) 11_244 ?
Dy2 O18 2.369(8) . ?
Dy2 C49 2.825(15) . ?
Dy2 C54 2.876(19) . ?
Dy3 O12 2.340(9) . ?
Dy3 O16 2.377(9) . ?
Dy3 O18 2.455(8) . ?
Dy3 O19 2.417(8) 11_244 ?
Dy3 O20 2.435(11) . ?
Dy3 O21 2.423(10) . ?
Dy3 O22 2.331(10) 11_244 ?
Dy3 N10 2.504(11) . ?
Dy3 N12 2.552(12) . ?
Dy3 C49 2.854(16) 11_244 ?
Dy3 C56 2.784(19) . ?
Na1 O1 2.569(16) . ?
Na1 O2 2.304(12) . ?
Na1 O6 2.571(11) 20_466 ?
Na1 O7 2.508(14) 20_466 ?
Na1 O8 2.496(15) . ?
Na1 O9 2.644(17) . ?
Na1 O10 2.472(19) . ?
O1 C1 1.36(2) . ?
O1 C2 1.36(2) . ?
O2 C7 1.304(19) . ?
O3 C17 1.196(16) . ?
O4 C16 1.269(16) . ?
O5 C10 1.41(2) . ?
O5 C11 1.37(2) . ?
O6 Dy1 2.237(9) 26_445 ?
O6 Na1 2.571(11) 26_445 ?
O6 C24 1.303(19) . ?
O7 Na1 2.508(14) 26_445 ?
O7 C18 1.43(2) . ?
O7 C19 1.380(18) . ?
O8 C35 1.417(19) . ?
O9 C29 1.43(2) . ?
O9 C30 1.35(2) . ?
O10 H10A 1.0392 . ?
O10 H10B 1.0282 . ?
O11 C46 1.401(17) . ?
O11 C48 1.438(17) . ?
O12 C47 1.313(16) . ?
O13 C49 1.239(17) . ?
O14 C50 1.242(15) . ?
O15 C54 1.32(2) . ?
O16 C54 1.284(19) . ?
N13 Dy2 2.468(12) 11_244 ?
N13 C52 1.132(10) . ?
O18 Dy2 2.513(9) 11_244 ?
O18 C49 1.339(15) 11_244 ?
O19 Dy3 2.417(9) 11_244 ?
O19 C49 1.241(16) . ?
O20 C56 1.26(2) . ?
O21 C56 1.25(2) . ?
O22 Dy3 2.331(10) 11_244 ?
O22 C50 1.249(15) . ?
N1 N2 1.380(16) . ?
N1 C8 1.319(18) . ?
N2 H2 0.8601 . ?
N2 C9 1.355(16) . ?
N3 C9 1.405(17) . ?
N3 C27 1.333(16) . ?
N4 Dy1 2.551(11) 26_445 ?
N4 N5 1.387(14) . ?
N4 C25 1.287(17) . ?
N5 H5 0.8599 . ?
N5 C26 1.338(16) . ?
N6 Dy1 2.523(11) 26_445 ?
N6 C26 1.411(16) . ?
N6 C27 1.302(17) . ?
N7 N8 1.332(16) . ?
N7 C36 1.256(19) . ?
N8 H8 0.8601 . ?
N8 C37 1.371(17) . ?
N9 C37 1.371(17) . ?
N9 C40 1.310(17) . ?
N10 C39 1.332(16) . ?
N10 C40 1.324(18) . ?
N11 H11 0.8595 . ?
N11 N12 1.372(15) . ?
N11 C39 1.356(18) . ?
N12 C41 1.284(17) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.38(2) . ?
C2 C7 1.44(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.43(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.37(2) . ?
C5 H5A 0.9300 . ?
C5 C6 1.39(2) . ?
C6 C7 1.40(2) . ?
C6 C8 1.47(2) . ?
C8 H8A 0.9300 . ?
C9 C28 1.359(19) . ?
C10 H10C 0.9600 . ?
C10 H10D 0.9600 . ?
C10 H10E 0.9600 . ?
C11 C12 1.36(2) . ?
C11 C16 1.45(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.32(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.47(2) . ?
C14 H14 0.9300 . ?
C14 C15 1.35(2) . ?
C15 C16 1.46(2) . ?
C15 C17 1.40(2) . ?
C17 H17 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.36(2) . ?
C19 C24 1.39(2) . ?
C20 H20 0.9300 . ?
C20 C21 1.36(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.37(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.37(2) . ?
C23 C24 1.41(2) . ?
C23 C25 1.48(2) . ?
C25 H25 0.9300 . ?
C26 C28 1.338(19) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C31 1.42(3) . ?
C30 C35 1.36(3) . ?
C31 H31 0.9300 . ?
C31 C32 1.47(4) . ?
C32 H32 0.9300 . ?
C32 C33 1.41(4) . ?
C33 H33 0.9300 . ?
C33 C34 1.36(3) . ?
C34 C35 1.40(2) . ?
C34 C36 1.46(2) . ?
C36 H36 0.9300 . ?
C37 C38 1.375(19) . ?
C38 H38 0.9300 . ?
C38 C39 1.404(18) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C41 C42 1.445(19) . ?
C42 C43 1.41(2) . ?
C42 C47 1.421(19) . ?
C43 H43 0.9300 . ?
C43 C44 1.33(2) . ?
C44 H44 0.9300 . ?
C44 C45 1.41(2) . ?
C45 H45 0.9300 . ?
C45 C46 1.398(19) . ?
C46 C47 1.409(18) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 Dy3 2.854(16) 11_244 ?
C49 O18 1.339(15) 11_244 ?
C50 C51 1.49(2) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 C53 1.381(10) . ?
C53 H53A 1.1(2) . ?
C53 H53B 1.1(2) . ?
C53 H53C 1.1(2) . ?
C54 C55 1.46(2) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 C57 1.55(3) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 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 Dy1 Na1 35.8(3) . . ?
O2 Dy1 O3 77.8(3) . . ?
O2 Dy1 O4 85.3(3) . . ?
O2 Dy1 O6 77.1(4) . 20_466 ?
O2 Dy1 N1 70.1(4) . . ?
O2 Dy1 N3 118.3(3) . . ?
O2 Dy1 N4 144.8(4) . 20_466 ?
O2 Dy1 N6 146.6(4) . 20_466 ?
O3 Dy1 Na1 108.3(3) . . ?
O3 Dy1 N1 71.3(4) . . ?
O3 Dy1 N3 118.3(3) . . ?
O3 Dy1 N4 125.9(3) . 20_466 ?
O3 Dy1 N6 69.3(4) . 20_466 ?
O4 Dy1 Na1 77.7(2) . . ?
O4 Dy1 O3 71.9(3) . . ?
O4 Dy1 N1 139.1(4) . . ?
O4 Dy1 N3 155.1(3) . . ?
O4 Dy1 N4 79.7(3) . 20_466 ?
O4 Dy1 N6 89.8(3) . 20_466 ?
O6 Dy1 Na1 43.1(3) 20_466 . ?
O6 Dy1 O3 150.1(3) 20_466 . ?
O6 Dy1 O4 90.0(3) 20_466 . ?
O6 Dy1 N1 114.2(4) 20_466 . ?
O6 Dy1 N3 88.1(3) 20_466 . ?
O6 Dy1 N4 71.3(4) 20_466 20_466 ?
O6 Dy1 N6 136.0(4) 20_466 20_466 ?
N1 Dy1 Na1 97.5(3) . . ?
N1 Dy1 N3 62.7(4) . . ?
N1 Dy1 N4 137.8(4) . 20_466 ?
N3 Dy1 Na1 116.2(2) . . ?
N4 Dy1 Na1 109.3(3) 20_466 . ?
N4 Dy1 N3 76.1(4) 20_466 . ?
N6 Dy1 Na1 167.2(3) 20_466 . ?
N6 Dy1 N1 93.5(4) 20_466 . ?
N6 Dy1 N3 74.7(3) 20_466 . ?
N6 Dy1 N4 65.4(4) 20_466 20_466 ?
O11 Dy2 Dy3 102.8(2) . . ?
O11 Dy2 O16 108.1(3) . . ?
O11 Dy2 N13 160.3(4) . . ?
O11 Dy2 O18 121.2(3) . 11_244 ?
O11 Dy2 C49 94.6(4) . . ?
O11 Dy2 C54 92.1(5) . . ?
O12 Dy2 Dy3 39.1(2) . . ?
O12 Dy2 O11 65.4(3) . . ?
O12 Dy2 O13 79.2(3) . . ?
O12 Dy2 O15 89.4(4) . . ?
O12 Dy2 O16 67.2(3) . . ?
O12 Dy2 N13 129.3(2) . . ?
O12 Dy2 O18 120.4(3) . 11_244 ?
O12 Dy2 C49 102.6(4) . . ?
O12 Dy2 C54 77.1(4) . . ?
O13 Dy2 Dy3 99.4(2) . . ?
O13 Dy2 O11 74.9(3) . . ?
O13 Dy2 O16 139.9(3) . . ?
O13 Dy2 N13 117.8(4) . . ?
O13 Dy2 O18 53.1(3) . 11_244 ?
O13 Dy2 C49 25.8(3) . . ?
O13 Dy2 C54 156.1(4) . . ?
O14 Dy2 Dy3 178.7(3) . . ?
O14 Dy2 O11 76.6(4) . . ?
O14 Dy2 O12 140.7(4) . . ?
O14 Dy2 O13 81.6(4) . . ?
O14 Dy2 O15 90.5(4) . . ?
O14 Dy2 O16 138.5(4) . . ?
O14 Dy2 N13 90.0(3) . . ?
O14 Dy2 O18 71.0(3) . 11_244 ?
O14 Dy2 O18 139.3(3) . . ?
O14 Dy2 C49 69.7(4) . . ?
O14 Dy2 C54 115.3(5) . . ?
O15 Dy2 Dy3 88.3(3) . . ?
O15 Dy2 O11 75.2(4) . . ?
O15 Dy2 O13 150.1(4) . . ?
O15 Dy2 O16 53.7(4) . . ?
O15 Dy2 N13 90.8(5) . . ?
O15 Dy2 O18 149.4(4) . 11_244 ?
O15 Dy2 C49 159.5(4) . . ?
O15 Dy2 C54 27.2(4) . . ?
O16 Dy2 Dy3 40.45(19) . . ?
O16 Dy2 C49 146.5(3) . . ?
O16 Dy2 C54 26.5(4) . . ?
N13 Dy2 Dy3 90.26(9) . . ?
N13 Dy2 O16 72.6(3) . . ?
N13 Dy2 O18 65.8(3) . 11_244 ?
N13 Dy2 C49 94.1(4) . . ?
N13 Dy2 C54 80.6(5) . . ?
O18 Dy2 Dy3 110.27(19) 11_244 . ?
O18 Dy2 Dy3 41.9(2) . . ?
O18 Dy2 O11 131.2(3) . . ?
O18 Dy2 O12 69.3(3) . . ?
O18 Dy2 O13 79.7(3) . . ?
O18 Dy2 O15 122.2(4) . . ?
O18 Dy2 O16 128.7(3) 11_244 . ?
O18 Dy2 O16 68.6(3) . . ?
O18 Dy2 N13 68.0(3) . . ?
O18 Dy2 O18 68.9(3) . 11_244 ?
O18 Dy2 C49 77.9(3) . . ?
O18 Dy2 C49 28.3(3) 11_244 . ?
O18 Dy2 C54 95.0(4) . . ?
O18 Dy2 C54 146.1(4) 11_244 . ?
C49 Dy2 Dy3 111.5(3) . . ?
C49 Dy2 C54 172.5(5) . . ?
C54 Dy2 Dy3 63.5(3) . . ?
O12 Dy3 Dy2 39.6(2) . . ?
O12 Dy3 O16 70.1(3) . . ?
O12 Dy3 O18 68.3(3) . . ?
O12 Dy3 O19 83.8(3) . 11_244 ?
O12 Dy3 O20 81.0(4) . . ?
O12 Dy3 O21 129.4(4) . . ?
O12 Dy3 N10 135.5(3) . . ?
O12 Dy3 N12 72.3(3) . . ?
O12 Dy3 C49 77.6(4) . 11_244 ?
O12 Dy3 C56 105.7(5) . . ?
O16 Dy3 Dy2 43.4(2) . . ?
O16 Dy3 O18 69.6(3) . . ?
O16 Dy3 O19 122.5(3) . 11_244 ?
O16 Dy3 O20 81.1(4) . . ?
O16 Dy3 O21 81.1(3) . . ?
O16 Dy3 N10 153.3(3) . . ?
O16 Dy3 N12 136.5(4) . . ?
O16 Dy3 C49 97.5(4) . 11_244 ?
O16 Dy3 C56 80.5(4) . . ?
O18 Dy3 Dy2 40.1(2) . . ?
O18 Dy3 N10 122.1(3) . . ?
O18 Dy3 N12 114.9(3) . . ?
O18 Dy3 C49 27.9(3) . 11_244 ?
O18 Dy3 C56 149.8(4) . . ?
O19 Dy3 Dy2 84.28(19) 11_244 . ?
O19 Dy3 O18 53.2(3) 11_244 . ?
O19 Dy3 O20 144.9(3) 11_244 . ?
O19 Dy3 O21 146.2(3) 11_244 . ?
O19 Dy3 N10 75.2(3) 11_244 . ?
O19 Dy3 N12 73.1(3) 11_244 . ?
O19 Dy3 C49 25.5(3) 11_244 11_244 ?
O19 Dy3 C56 157.0(4) 11_244 . ?
O20 Dy3 Dy2 102.9(3) . . ?
O20 Dy3 O18 143.0(4) . . ?
O20 Dy3 N10 94.2(4) . . ?
O20 Dy3 N12 72.1(4) . . ?
O20 Dy3 C49 157.6(4) . 11_244 ?
O20 Dy3 C56 26.8(5) . . ?
O21 Dy3 Dy2 124.2(2) . . ?
O21 Dy3 O18 137.5(3) . . ?
O21 Dy3 O20 53.5(4) . . ?
O21 Dy3 N10 75.2(3) . . ?
O21 Dy3 N12 107.6(4) . . ?
O21 Dy3 C49 148.6(4) . 11_244 ?
O21 Dy3 C56 26.7(4) . . ?
O22 Dy3 Dy2 99.0(2) 11_244 . ?
O22 Dy3 O12 137.5(3) 11_244 . ?
O22 Dy3 O16 84.5(3) 11_244 . ?
O22 Dy3 O18 71.1(3) 11_244 . ?
O22 Dy3 O19 82.1(3) 11_244 11_244 ?
O22 Dy3 O20 129.1(3) 11_244 . ?
O22 Dy3 O21 76.2(4) 11_244 . ?
O22 Dy3 N10 78.1(3) 11_244 . ?
O22 Dy3 N12 138.9(4) 11_244 . ?
O22 Dy3 C49 72.5(3) 11_244 11_244 ?
O22 Dy3 C56 102.7(5) 11_244 . ?
N10 Dy3 Dy2 159.5(3) . . ?
N10 Dy3 N12 64.2(4) . . ?
N10 Dy3 C49 96.5(4) . 11_244 ?
N10 Dy3 C56 83.7(5) . . ?
N12 Dy3 Dy2 110.3(3) . . ?
N12 Dy3 C49 95.0(4) . 11_244 ?
N12 Dy3 C56 89.5(5) . . ?
C49 Dy3 Dy2 63.7(3) 11_244 . ?
C56 Dy3 Dy2 116.6(4) . . ?
C56 Dy3 C49 175.1(5) . 11_244 ?
O1 Na1 Dy1 90.7(4) . . ?
O1 Na1 O6 125.9(5) . 20_466 ?
O1 Na1 O9 81.9(5) . . ?
O2 Na1 Dy1 34.2(2) . . ?
O2 Na1 O1 63.7(4) . . ?
O2 Na1 O6 69.1(4) . 20_466 ?
O2 Na1 O7 120.4(4) . 20_466 ?
O2 Na1 O8 132.7(5) . . ?
O2 Na1 O9 144.7(5) . . ?
O2 Na1 O10 89.0(5) . . ?
O6 Na1 Dy1 36.5(2) 20_466 . ?
O6 Na1 O9 144.8(5) 20_466 . ?
O7 Na1 Dy1 95.9(3) 20_466 . ?
O7 Na1 O1 171.9(5) 20_466 . ?
O7 Na1 O6 61.4(3) 20_466 20_466 ?
O7 Na1 O9 92.8(5) 20_466 . ?
O8 Na1 Dy1 108.0(3) . . ?
O8 Na1 O1 104.7(5) . . ?
O8 Na1 O6 88.3(4) . 20_466 ?
O8 Na1 O7 77.8(5) . 20_466 ?
O8 Na1 O9 61.5(5) . . ?
O9 Na1 Dy1 164.5(5) . . ?
O10 Na1 Dy1 113.7(5) . . ?
O10 Na1 O1 83.9(6) . . ?
O10 Na1 O6 120.7(5) . 20_466 ?
O10 Na1 O7 89.1(6) . 20_466 ?
O10 Na1 O8 137.3(6) . . ?
O10 Na1 O9 79.1(5) . . ?
C1 O1 Na1 129.0(15) . . ?
C1 O1 C2 117.7(17) . . ?
C2 O1 Na1 110.9(10) . . ?
Dy1 O2 Na1 110.0(4) . . ?
C7 O2 Dy1 131.1(10) . . ?
C7 O2 Na1 118.4(10) . . ?
C17 O3 Dy1 133.6(10) . . ?
C16 O4 Dy1 131.1(9) . . ?
C11 O5 C10 115.0(15) . . ?
Dy1 O6 Na1 100.5(4) 26_445 26_445 ?
C24 O6 Dy1 146.0(10) . 26_445 ?
C24 O6 Na1 110.5(9) . 26_445 ?
C18 O7 Na1 120.9(11) . 26_445 ?
C19 O7 Na1 112.7(9) . 26_445 ?
C19 O7 C18 118.2(13) . . ?
C35 O8 Na1 115.0(11) . . ?
C29 O9 Na1 122.7(13) . . ?
C30 O9 Na1 113.5(13) . . ?
C30 O9 C29 118.9(18) . . ?
Na1 O10 H10A 117.6 . . ?
Na1 O10 H10B 117.2 . . ?
H10A O10 H10B 100.3 . . ?
C46 O11 Dy2 116.2(7) . . ?
C46 O11 C48 119.6(13) . . ?
C48 O11 Dy2 124.0(11) . . ?
Dy3 O12 Dy2 101.3(3) . . ?
C47 O12 Dy2 120.3(8) . . ?
C47 O12 Dy3 138.4(8) . . ?
C49 O13 Dy2 96.4(8) . . ?
C50 O14 Dy2 148.3(10) . . ?
C54 O15 Dy2 97.5(10) . . ?
Dy3 O16 Dy2 96.1(3) . . ?
C54 O16 Dy2 92.5(10) . . ?
C54 O16 Dy3 143.1(11) . . ?
Dy2 N13 Dy2 99.1(7) . 11_244 ?
C52 N13 Dy2 130.5(3) . 11_244 ?
C52 N13 Dy2 130.4(3) . . ?
Dy2 O18 Dy2 100.6(3) . 11_244 ?
Dy2 O18 Dy3 98.1(3) . . ?
Dy3 O18 Dy2 149.3(4) . 11_244 ?
C49 O18 Dy2 139.0(8) 11_244 . ?
C49 O18 Dy2 88.9(8) 11_244 11_244 ?
C49 O18 Dy3 92.9(8) 11_244 . ?
C49 O19 Dy3 97.3(8) . 11_244 ?
C56 O20 Dy3 92.3(11) . . ?
C56 O21 Dy3 92.9(10) . . ?
C50 O22 Dy3 149.6(8) . 11_244 ?
N2 N1 Dy1 119.4(8) . . ?
C8 N1 Dy1 127.9(10) . . ?
C8 N1 N2 112.4(11) . . ?
N1 N2 H2 120.4 . . ?
C9 N2 N1 119.4(11) . . ?
C9 N2 H2 120.2 . . ?
C9 N3 Dy1 119.3(8) . . ?
C27 N3 Dy1 126.6(9) . . ?
C27 N3 C9 113.6(11) . . ?
N5 N4 Dy1 115.9(8) . 26_445 ?
C25 N4 Dy1 130.4(10) . 26_445 ?
C25 N4 N5 113.6(11) . . ?
N4 N5 H5 119.1 . . ?
C26 N5 N4 121.9(11) . . ?
C26 N5 H5 119.0 . . ?
C26 N6 Dy1 117.9(8) . 26_445 ?
C27 N6 Dy1 126.1(9) . 26_445 ?
C27 N6 C26 115.9(12) . . ?
C36 N7 N8 116.9(13) . . ?
N7 N8 H8 119.5 . . ?
N7 N8 C37 121.0(12) . . ?
C37 N8 H8 119.5 . . ?
C40 N9 C37 114.2(13) . . ?
C39 N10 Dy3 120.4(9) . . ?
C40 N10 Dy3 124.7(9) . . ?
C40 N10 C39 114.9(12) . . ?
N12 N11 H11 119.9 . . ?
C39 N11 H11 119.8 . . ?
C39 N11 N12 120.3(11) . . ?
N11 N12 Dy3 116.3(9) . . ?
C41 N12 Dy3 131.2(9) . . ?
C41 N12 N11 112.5(12) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 125.7(17) . . ?
O1 C2 C7 112.6(16) . . ?
C3 C2 C7 121.6(18) . . ?
C2 C3 H3 120.3 . . ?
C2 C3 C4 119.4(18) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.7(19) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5A 119.6 . . ?
C4 C5 C6 120.8(19) . . ?
C6 C5 H5A 119.6 . . ?
C5 C6 C7 121.9(16) . . ?
C5 C6 C8 117.8(16) . . ?
C7 C6 C8 120.1(14) . . ?
O2 C7 C2 118.1(17) . . ?
O2 C7 C6 125.5(15) . . ?
C6 C7 C2 116.3(15) . . ?
N1 C8 C6 123.8(14) . . ?
N1 C8 H8A 118.1 . . ?
C6 C8 H8A 118.1 . . ?
N2 C9 N3 116.2(12) . . ?
N2 C9 C28 121.5(12) . . ?
C28 C9 N3 122.2(12) . . ?
O5 C10 H10C 109.5 . . ?
O5 C10 H10D 109.5 . . ?
O5 C10 H10E 109.5 . . ?
H10C C10 H10D 109.5 . . ?
H10C C10 H10E 109.5 . . ?
H10D C10 H10E 109.5 . . ?
O5 C11 C16 111.7(14) . . ?
C12 C11 O5 128.4(17) . . ?
C12 C11 C16 119.9(17) . . ?
C11 C12 H12 117.4 . . ?
C13 C12 C11 125.3(18) . . ?
C13 C12 H12 117.4 . . ?
C12 C13 H13 121.6 . . ?
C12 C13 C14 116.9(18) . . ?
C14 C13 H13 121.6 . . ?
C13 C14 H14 119.3 . . ?
C15 C14 C13 121.5(18) . . ?
C15 C14 H14 119.3 . . ?
C14 C15 C16 120.1(16) . . ?
C14 C15 C17 117.6(16) . . ?
C17 C15 C16 122.2(13) . . ?
O4 C16 C11 120.9(14) . . ?
O4 C16 C15 123.1(13) . . ?
C11 C16 C15 116.0(14) . . ?
O3 C17 C15 126.0(14) . . ?
O3 C17 H17 117.0 . . ?
C15 C17 H17 117.0 . . ?
O7 C18 H18A 109.5 . . ?
O7 C18 H18B 109.5 . . ?
O7 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O7 C19 C24 112.2(14) . . ?
C20 C19 O7 125.1(15) . . ?
C20 C19 C24 122.7(16) . . ?
C19 C20 H20 120.4 . . ?
C19 C20 C21 119.2(17) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 H21 120.1 . . ?
C20 C21 C22 119.9(15) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 H22 119.0 . . ?
C23 C22 C21 122.0(15) . . ?
C23 C22 H22 119.0 . . ?
C22 C23 C24 119.1(15) . . ?
C22 C23 C25 117.8(13) . . ?
C24 C23 C25 123.0(14) . . ?
O6 C24 C19 121.1(15) . . ?
O6 C24 C23 121.7(16) . . ?
C19 C24 C23 117.0(16) . . ?
N4 C25 C23 126.8(13) . . ?
N4 C25 H25 116.6 . . ?
C23 C25 H25 116.6 . . ?
N5 C26 N6 118.3(11) . . ?
C28 C26 N5 120.8(12) . . ?
C28 C26 N6 120.9(12) . . ?
N3 C27 H27 115.8 . . ?
N6 C27 N3 128.5(13) . . ?
N6 C27 H27 115.8 . . ?
C9 C28 H28 120.6 . . ?
C26 C28 C9 118.9(13) . . ?
C26 C28 H28 120.6 . . ?
O9 C29 H29A 109.5 . . ?
O9 C29 H29B 109.5 . . ?
O9 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O9 C30 C31 122(2) . . ?
O9 C30 C35 118.2(19) . . ?
C35 C30 C31 118(2) . . ?
C30 C31 H31 120.9 . . ?
C30 C31 C32 118(3) . . ?
C32 C31 H31 120.9 . . ?
C31 C32 H32 123.6 . . ?
C33 C32 C31 113(3) . . ?
C33 C32 H32 123.6 . . ?
C32 C33 H33 118.8 . . ?
C34 C33 C32 122(3) . . ?
C34 C33 H33 118.8 . . ?
C33 C34 C35 116(2) . . ?
C33 C34 C36 120(2) . . ?
C35 C34 C36 123.9(15) . . ?
C30 C35 O8 116.5(16) . . ?
C30 C35 C34 124.0(17) . . ?
C34 C35 O8 119.5(15) . . ?
N7 C36 C34 122.5(16) . . ?
N7 C36 H36 118.8 . . ?
C34 C36 H36 118.8 . . ?
N8 C37 N9 114.4(13) . . ?
N8 C37 C38 122.4(12) . . ?
N9 C37 C38 123.2(12) . . ?
C37 C38 H38 122.6 . . ?
C37 C38 C39 114.8(12) . . ?
C39 C38 H38 122.6 . . ?
N10 C39 N11 118.7(12) . . ?
N10 C39 C38 123.4(13) . . ?
N11 C39 C38 117.9(12) . . ?
N9 C40 N10 129.3(14) . . ?
N9 C40 H40 115.4 . . ?
N10 C40 H40 115.4 . . ?
N12 C41 H41 116.3 . . ?
N12 C41 C42 127.4(13) . . ?
C42 C41 H41 116.3 . . ?
C43 C42 C41 116.9(13) . . ?
C43 C42 C47 119.4(13) . . ?
C47 C42 C41 123.7(12) . . ?
C42 C43 H43 118.4 . . ?
C44 C43 C42 123.2(14) . . ?
C44 C43 H43 118.4 . . ?
C43 C44 H44 120.0 . . ?
C43 C44 C45 119.9(14) . . ?
C45 C44 H44 120.0 . . ?
C44 C45 H45 121.0 . . ?
C46 C45 C44 118.0(13) . . ?
C46 C45 H45 121.0 . . ?
O11 C46 C47 113.3(12) . . ?
C45 C46 O11 122.9(13) . . ?
C45 C46 C47 123.7(14) . . ?
O12 C47 C42 124.9(11) . . ?
O12 C47 C46 119.3(12) . . ?
C46 C47 C42 115.7(13) . . ?
O11 C48 H48A 109.5 . . ?
O11 C48 H48B 109.5 . . ?
O11 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
Dy2 C49 Dy3 115.0(4) . 11_244 ?
O13 C49 Dy2 57.8(7) . . ?
O13 C49 Dy3 170.2(9) . 11_244 ?
O13 C49 O18 117.3(13) . 11_244 ?
O13 C49 O19 127.3(12) . . ?
O18 C49 Dy2 62.8(7) 11_244 . ?
O18 C49 Dy3 59.2(7) 11_244 11_244 ?
O19 C49 Dy2 162.1(9) . . ?
O19 C49 Dy3 57.1(7) . 11_244 ?
O19 C49 O18 115.4(13) . 11_244 ?
O14 C50 O22 126.3(12) . . ?
O14 C50 C51 114.9(14) . . ?
O22 C50 C51 118.8(13) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
N13 C52 C53 180.0 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O15 C54 Dy2 55.3(9) . . ?
O15 C54 C55 121.5(16) . . ?
O16 C54 Dy2 61.0(9) . . ?
O16 C54 O15 116.3(16) . . ?
O16 C54 C55 122.1(16) . . ?
C55 C54 Dy2 176.0(13) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O20 C56 Dy3 60.9(9) . . ?
O20 C56 C57 119.1(19) . . ?
O21 C56 Dy3 60.4(9) . . ?
O21 C56 O20 121.3(17) . . ?
O21 C56 C57 119.5(17) . . ?
C57 C56 Dy3 177.9(16) . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 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 O2 C7 C2 136.5(13) . . . . ?
Dy1 O2 C7 C6 -47(2) . . . . ?
Dy1 O3 C17 C15 -9(2) . . . . ?
Dy1 O4 C16 C11 -142.5(13) . . . . ?
Dy1 O4 C16 C15 36(2) . . . . ?
Dy1 O6 C24 C19 -174.3(10) 26_445 . . . ?
Dy1 O6 C24 C23 11(3) 26_445 . . . ?
Dy1 N1 N2 C9 -17.8(16) . . . . ?
Dy1 N1 C8 C6 11(2) . . . . ?
Dy1 N3 C9 N2 8.2(15) . . . . ?
Dy1 N3 C9 C28 -175.9(11) . . . . ?
Dy1 N3 C27 N6 174.0(11) . . . . ?
Dy1 N4 N5 C26 -7.5(15) 26_445 . . . ?
Dy1 N4 C25 C23 7(2) 26_445 . . . ?
Dy1 N6 C26 N5 3.1(15) 26_445 . . . ?
Dy1 N6 C26 C28 -176.3(10) 26_445 . . . ?
Dy1 N6 C27 N3 175.2(10) 26_445 . . . ?
Dy2 O11 C46 C45 162.0(12) . . . . ?
Dy2 O11 C46 C47 -20.9(15) . . . . ?
Dy2 O12 C47 C42 -161.8(10) . . . . ?
Dy2 O12 C47 C46 14.3(16) . . . . ?
Dy2 O13 C49 O18 -21.3(12) . . . 11_244 ?
Dy2 O13 C49 O19 159.1(12) . . . . ?
Dy2 O14 C50 O22 -33(3) . . . . ?
Dy2 O14 C50 C51 150.7(18) . . . . ?
Dy2 O15 C54 O16 0.7(17) . . . . ?
Dy2 O15 C54 C55 -177.1(16) . . . . ?
Dy2 O16 C54 O15 -0.7(16) . . . . ?
Dy2 O16 C54 C55 177.2(17) . . . . ?
Dy3 O12 C47 C42 19(2) . . . . ?
Dy3 O12 C47 C46 -165.4(10) . . . . ?
Dy3 O16 C54 Dy2 103.6(15) . . . . ?
Dy3 O16 C54 O15 102.9(19) . . . . ?
Dy3 O16 C54 C55 -79(2) . . . . ?
Dy3 O19 C49 Dy2 -69(3) 11_244 . . . ?
Dy3 O19 C49 O13 -169.3(13) 11_244 . . . ?
Dy3 O19 C49 O18 11.0(11) 11_244 . . 11_244 ?
Dy3 O20 C56 O21 -1.9(18) . . . . ?
Dy3 O20 C56 C57 -177.6(17) . . . . ?
Dy3 O21 C56 O20 1.9(18) . . . . ?
Dy3 O21 C56 C57 177.6(18) . . . . ?
Dy3 O22 C50 O14 5(3) 11_244 . . . ?
Dy3 O22 C50 C51 -178.0(15) 11_244 . . . ?
Dy3 N10 C39 N11 -0.8(17) . . . . ?
Dy3 N10 C39 C38 178.9(10) . . . . ?
Dy3 N10 C40 N9 179.5(12) . . . . ?
Dy3 N12 C41 C42 -1(2) . . . . ?
Na1 O1 C2 C3 -153.6(16) . . . . ?
Na1 O1 C2 C7 27.0(18) . . . . ?
Na1 O2 C7 C2 -34.5(19) . . . . ?
Na1 O2 C7 C6 141.6(14) . . . . ?
Na1 O6 C24 C19 31.6(18) 26_445 . . . ?
Na1 O6 C24 C23 -143.4(13) 26_445 . . . ?
Na1 O7 C19 C20 140.0(16) 26_445 . . . ?
Na1 O7 C19 C24 -39.2(15) 26_445 . . . ?
Na1 O8 C35 C30 36(2) . . . . ?
Na1 O8 C35 C34 -143.8(18) . . . . ?
Na1 O9 C30 C31 145(2) . . . . ?
Na1 O9 C30 C35 -23(3) . . . . ?
O1 C2 C3 C4 175.6(19) . . . . ?
O1 C2 C7 O2 1(2) . . . . ?
O1 C2 C7 C6 -175.3(15) . . . . ?
O5 C11 C12 C13 -176(3) . . . . ?
O5 C11 C16 O4 0(2) . . . . ?
O5 C11 C16 C15 -178.7(16) . . . . ?
O7 C19 C20 C21 178.1(16) . . . . ?
O7 C19 C24 O6 4(2) . . . . ?
O7 C19 C24 C23 179.2(13) . . . . ?
O9 C30 C31 C32 -158(3) . . . . ?
O9 C30 C35 O8 -7(3) . . . . ?
O9 C30 C35 C34 173(2) . . . . ?
O11 C46 C47 O12 5.1(18) . . . . ?
O11 C46 C47 C42 -178.4(11) . . . . ?
N1 N2 C9 N3 6.0(18) . . . . ?
N1 N2 C9 C28 -169.9(13) . . . . ?
N2 N1 C8 C6 -174.9(13) . . . . ?
N2 C9 C28 C26 178.5(13) . . . . ?
N3 C9 C28 C26 3(2) . . . . ?
N4 N5 C26 N6 3.1(18) . . . . ?
N4 N5 C26 C28 -177.5(13) . . . . ?
N5 N4 C25 C23 -175.9(13) . . . . ?
N5 C26 C28 C9 179.7(13) . . . . ?
N6 C26 C28 C9 -1(2) . . . . ?
N7 N8 C37 N9 177.1(13) . . . . ?
N7 N8 C37 C38 -2(2) . . . . ?
N8 N7 C36 C34 177.8(19) . . . . ?
N8 C37 C38 C39 -177.0(13) . . . . ?
N9 C37 C38 C39 4(2) . . . . ?
N11 N12 C41 C42 178.6(13) . . . . ?
N12 N11 C39 N10 -1(2) . . . . ?
N12 N11 C39 C38 179.6(12) . . . . ?
N12 C41 C42 C43 174.5(14) . . . . ?
N12 C41 C42 C47 -5(2) . . . . ?
C1 O1 C2 C3 10(3) . . . . ?
C1 O1 C2 C7 -169.1(18) . . . . ?
C2 C3 C4 C5 1(3) . . . . ?
C3 C2 C7 O2 -178.3(16) . . . . ?
C3 C2 C7 C6 5(3) . . . . ?
C3 C4 C5 C6 3(3) . . . . ?
C4 C5 C6 C7 -3(3) . . . . ?
C4 C5 C6 C8 -178.8(17) . . . . ?
C5 C6 C7 O2 -177.6(16) . . . . ?
C5 C6 C7 C2 -1(2) . . . . ?
C5 C6 C8 N1 -168.1(15) . . . . ?
C7 C2 C3 C4 -5(3) . . . . ?
C7 C6 C8 N1 16(2) . . . . ?
C8 N1 N2 C9 167.6(13) . . . . ?
C8 C6 C7 O2 -1(2) . . . . ?
C8 C6 C7 C2 174.7(14) . . . . ?
C9 N3 C27 N6 2(2) . . . . ?
C10 O5 C11 C12 -5(3) . . . . ?
C10 O5 C11 C16 174.6(18) . . . . ?
C11 C12 C13 C14 -7(4) . . . . ?
C12 C11 C16 O4 179.6(18) . . . . ?
C12 C11 C16 C15 1(3) . . . . ?
C12 C13 C14 C15 2(4) . . . . ?
C13 C14 C15 C16 3(3) . . . . ?
C13 C14 C15 C17 -178(2) . . . . ?
C14 C15 C16 O4 176.7(18) . . . . ?
C14 C15 C16 C11 -4(3) . . . . ?
C14 C15 C17 O3 169.7(18) . . . . ?
C16 C11 C12 C13 5(4) . . . . ?
C16 C15 C17 O3 -12(3) . . . . ?
C17 C15 C16 O4 -2(3) . . . . ?
C17 C15 C16 C11 176.8(16) . . . . ?
C18 O7 C19 C20 -9(3) . . . . ?
C18 O7 C19 C24 171.8(16) . . . . ?
C19 C20 C21 C22 4(3) . . . . ?
C20 C19 C24 O6 -175.2(16) . . . . ?
C20 C19 C24 C23 0(3) . . . . ?
C20 C21 C22 C23 -3(3) . . . . ?
C21 C22 C23 C24 0(2) . . . . ?
C21 C22 C23 C25 -175.8(14) . . . . ?
C22 C23 C24 O6 176.5(14) . . . . ?
C22 C23 C24 C19 1(2) . . . . ?
C22 C23 C25 N4 175.6(15) . . . . ?
C24 C19 C20 C21 -3(3) . . . . ?
C24 C23 C25 N4 0(2) . . . . ?
C25 N4 N5 C26 174.8(12) . . . . ?
C25 C23 C24 O6 -8(2) . . . . ?
C25 C23 C24 C19 177.0(14) . . . . ?
C26 N6 C27 N3 0(2) . . . . ?
C27 N3 C9 N2 -179.2(12) . . . . ?
C27 N3 C9 C28 -3.3(18) . . . . ?
C27 N6 C26 N5 179.0(12) . . . . ?
C27 N6 C26 C28 -0.4(19) . . . . ?
C29 O9 C30 C31 -11(4) . . . . ?
C29 O9 C30 C35 -179(2) . . . . ?
C30 C31 C32 C33 -27(4) . . . . ?
C31 C30 C35 O8 -176(2) . . . . ?
C31 C30 C35 C34 5(4) . . . . ?
C31 C32 C33 C34 34(5) . . . . ?
C32 C33 C34 C35 -21(5) . . . . ?
C32 C33 C34 C36 163(3) . . . . ?
C33 C34 C35 O8 -179(2) . . . . ?
C33 C34 C35 C30 0(4) . . . . ?
C33 C34 C36 N7 177(3) . . . . ?
C35 C30 C31 C32 10(4) . . . . ?
C35 C34 C36 N7 2(4) . . . . ?
C36 N7 N8 C37 176.0(16) . . . . ?
C36 C34 C35 O8 -4(4) . . . . ?
C36 C34 C35 C30 176(2) . . . . ?
C37 N9 C40 N10 2(2) . . . . ?
C37 C38 C39 N10 0(2) . . . . ?
C37 C38 C39 N11 -179.8(13) . . . . ?
C39 N10 C40 N9 1(2) . . . . ?
C39 N11 N12 Dy3 1.8(16) . . . . ?
C39 N11 N12 C41 -178.1(13) . . . . ?
C40 N9 C37 N8 175.6(13) . . . . ?
C40 N9 C37 C38 -5(2) . . . . ?
C40 N10 C39 N11 177.3(13) . . . . ?
C40 N10 C39 C38 -3(2) . . . . ?
C41 C42 C43 C44 180.0(14) . . . . ?
C41 C42 C47 O12 -2(2) . . . . ?
C41 C42 C47 C46 -178.5(13) . . . . ?
C42 C43 C44 C45 -2(2) . . . . ?
C43 C42 C47 O12 178.0(13) . . . . ?
C43 C42 C47 C46 1.8(19) . . . . ?
C43 C44 C45 C46 2(2) . . . . ?
C44 C45 C46 O11 176.2(13) . . . . ?
C44 C45 C46 C47 -1(2) . . . . ?
C45 C46 C47 O12 -177.8(13) . . . . ?
C45 C46 C47 C42 -1(2) . . . . ?
C47 C42 C43 C44 0(2) . . . . ?
C48 O11 C46 C45 -12(2) . . . . ?
C48 O11 C46 C47 164.8(14) . . . . ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.250 0.011 0.000 575 105 ' '
2 0.750 -0.011 0.000 575 107 ' '
3 0.239 0.000 0.250 575 106 ' '
4 0.739 0.000 0.250 575 105 ' '
5 0.250 -0.011 0.500 575 104 ' '
6 0.750 0.011 0.500 575 107 ' '
7 0.261 0.000 0.750 575 107 ' '
8 0.761 0.000 0.750 575 105 ' '
9 0.861 0.111 0.125 18 3 ' '
10 0.361 0.110 0.375 18 3 ' '
11 0.139 0.111 0.625 18 3 ' '
12 0.639 0.110 0.875 18 3 ' '
13 0.500 0.250 0.125 14 2 ' '
14 0.000 0.250 0.375 14 2 ' '
15 0.500 0.250 0.625 14 2 ' '
16 0.000 0.250 0.875 14 2 ' '
17 0.250 0.511 0.000 575 107 ' '
18 0.750 0.511 0.500 575 105 ' '
19 0.261 0.500 0.250 575 105 ' '
20 0.761 0.500 0.250 575 107 ' '
21 0.739 0.500 0.750 575 106 ' '
22 0.239 0.500 0.750 575 105 ' '
23 0.750 0.489 0.000 575 104 ' '
24 0.250 0.489 0.500 575 107 ' '
25 0.139 0.389 0.125 18 4 ' '
26 0.639 0.389 0.375 18 4 ' '
27 0.861 0.389 0.625 18 4 ' '
28 0.361 0.389 0.875 18 3 ' '
29 0.639 0.611 0.125 18 3 ' '
30 0.139 0.610 0.375 18 3 ' '
31 0.361 0.611 0.625 18 3 ' '
32 0.861 0.610 0.875 18 3 ' '
33 0.000 0.750 0.125 14 2 ' '
34 0.500 0.750 0.375 14 2 ' '
35 0.000 0.750 0.625 14 2 ' '
36 0.500 0.750 0.875 14 2 ' '
37 0.361 0.889 0.125 18 4 ' '
38 0.861 0.889 0.375 18 3 ' '
39 0.639 0.889 0.625 18 4 ' '
40 0.139 0.889 0.875 18 4 ' '

_olex2_submission_special_instructions 'No special instructions were received'
