# 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_1-Dy
_database_code_depnum_ccdc_archive 'CCDC 1914386'
loop_
_audit_author_name
_audit_author_address
'Jian Su'
;NanJing University
China
;
_audit_update_record             
;
2019-05-07 deposited with the CCDC.	2022-01-12 downloaded from the CCDC.
;
_audit_creation_date             2019-03-04
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C55 H33 Dy2 N O15 S6'
_chemical_formula_sum            'C55 H32 Dy2 N O15 S6'
_chemical_formula_weight         1464.17
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.6454(8)
_cell_length_b                   15.6811(8)
_cell_length_c                   16.7037(8)
_cell_angle_alpha                105.7840(10)
_cell_angle_beta                 114.5920(10)
_cell_angle_gamma                104.7380(10)
_cell_volume                     3254.0(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9929
_cell_measurement_temperature    153
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.529
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6119
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0623 before and 0.0407 after correction.
The Ratio of minimum to maximum transmission is 0.8207.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1434
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0414
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28734
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.585
_diffrn_reflns_theta_min         2.130
_diffrn_ambient_temperature      153
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_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                   'fine-focus sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12440
_reflns_number_total             14977
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         1.004
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     756
_refine_ls_number_reflns         14977
_refine_ls_number_restraints     2505
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0282
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0280P)²+1.9440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0655
_refine_ls_wR_factor_ref         0.0694
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 N1-C52A
 1.5 with sigma of 0.01
 N1-C52B
 1.5 with sigma of 0.01
 C38-C40 = C40-C42A = C42A-C38 = C39-C41A = C41A-C43A = C43A-C39
 2.37 with sigma of 0.02
 C38-C39 = C39-C40 = C40-C41A = C41A-C42A = C42A-C43A = C43A-C38
 1.39 with sigma of 0.01
 C38-C40 = C40-C42B = C42B-C38 = C39-C41B = C41B-C43B = C43B-C39
 2.37 with sigma of 0.02
 C38-C39 = C39-C40 = C40-C41B = C41B-C42B = C42B-C43B = C43B-C38
 1.39 with sigma of 0.01
 O2-O12_$1
 3 with sigma of 0.01
3. Restrained planarity
 C38, C40, C41A, C42A, C43A
 with sigma of 0.02
 C38, C40, C41B, C42B, C43B
 with sigma of 0.02
4. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
5. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 3A with sigma of 0.01 and sigma
for terminal atoms of 0.02
6. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
7. Others
 Fixed Sof: C41A(0.75) H41A(0.75) C43A(0.5) H43A(0.5) C42A(0.5) H42A(0.5)
 C52B(0.5) H52A(0.5) H52B(0.5) H52C(0.5) C52A(0.5) H52D(0.5) H52E(0.5)
 H52F(0.5) C42B(0.5) H42B(0.5) C43B(0.5) H43B(0.5) C41B(0.25) H41B(0.25)
8.a Aromatic/amide H refined with riding coordinates:
 C22(H22), C54(H54), C7(H7), C24(H24), C12(H12), C13(H13), C15(H15), C33(H33),
 C11(H11), C29(H29), C25(H25), C31(H31), C26(H26), C30(H30), C5(H5), C50(H50),
 C3(H3), C48(H48), C46(H46), C4(H4), C39(H39), C47(H47), C41A(H41A), C43A(H43A),
  C42A(H42A), C42B(H42B), C43B(H43B), C41B(H41B)
8.b Idealised Me refined as rotating group:
 C53(H53A,H53B,H53C), C52B(H52A,H52B,H52C), C52A(H52D,H52E,H52F)
8.c Idealised tetrahedral OH refined as rotating group:
 O10(H10)
;
_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 1.16469(2) 0.59662(2) 1.07332(2) 0.01495(4) Uani 1 1 d . U . . .
Dy2 Dy 0.37926(2) -0.12482(2) 0.37453(2) 0.01908(4) Uani 1 1 d . U . . .
S2 S 0.66610(6) 0.64722(5) 0.76194(6) 0.02279(16) Uani 1 1 d . U . . .
S1 S 0.56814(6) 0.77943(5) 0.71854(6) 0.02286(16) Uani 1 1 d . U . . .
S4 S 0.46772(6) 0.46413(5) 0.57958(6) 0.02844(19) Uani 1 1 d . U . . .
S3 S 0.36178(6) 0.58830(5) 0.52629(6) 0.02629(18) Uani 1 1 d . U . . .
S6 S 1.12173(8) 0.63627(7) 0.53618(7) 0.0426(2) Uani 1 1 d . U . . .
S5 S 1.12274(10) 0.49654(8) 0.62327(8) 0.0512(3) Uani 1 1 d . U . . .
O14 O 0.31152(16) -0.29334(15) 0.26706(16) 0.0274(5) Uani 1 1 d . U . . .
O4 O 1.05973(16) 0.66375(16) 1.09914(16) 0.0252(5) Uani 1 1 d . U . . .
O3 O 0.89061(16) 0.56878(14) 1.01055(15) 0.0244(5) Uani 1 1 d . U . . .
O1 O 0.75320(17) 1.25070(14) 0.91284(16) 0.0266(5) Uani 1 1 d . U . . .
O8 O 0.48427(16) 0.16865(15) 0.56304(16) 0.0288(5) Uani 1 1 d . U . . .
O5 O 0.12052(17) 0.52707(16) 0.16354(16) 0.0274(5) Uani 1 1 d . U . . .
O6 O -0.04749(17) 0.42735(16) 0.07990(15) 0.0293(5) Uani 1 1 d . U . . .
O7 O 0.38141(17) 0.02242(15) 0.43842(17) 0.0284(5) Uani 1 1 d . U . . .
O9 O 1.25794(17) 0.58050(17) 0.99107(17) 0.0288(5) Uani 1 1 d . U . . .
O11 O 1.39767(18) 0.87847(17) 0.52038(17) 0.0321(5) Uani 1 1 d . U . . .
O12 O 1.49760(17) 1.02735(17) 0.64319(17) 0.0322(5) Uani 1 1 d D U . . .
O13 O 0.21139(18) -0.18039(19) 0.3443(2) 0.0430(7) Uani 1 1 d . U . . .
O2 O 0.71519(17) 1.13190(15) 0.77717(16) 0.0275(5) Uani 1 1 d D U . . .
O15 O 0.32060(16) -0.41866(16) 0.17791(16) 0.0268(5) Uani 1 1 d . U . . .
C27 C 0.0433(2) 0.4644(2) 0.1523(2) 0.0209(6) Uani 1 1 d . U . . .
C0AA C 0.3536(2) -0.3507(2) 0.2581(2) 0.0270(7) Uani 1 1 d . U . . .
C23 C 0.0613(2) 0.4319(2) 0.2321(2) 0.0178(6) Uani 1 1 d . U . . .
C34 C 0.4031(2) 0.1114(2) 0.4817(2) 0.0235(6) Uani 1 1 d . U . . .
C22 C 0.1619(2) 0.4617(2) 0.3068(2) 0.0166(5) Uani 1 1 d . U . . .
H22 H 0.217222 0.502259 0.307334 0.020 Uiso 1 1 calc R . . . .
C54 C 0.1362(3) -0.2562(3) 0.3123(3) 0.0339(8) Uani 1 1 d . U . . .
H54 H 0.142149 -0.314579 0.291492 0.041 Uiso 1 1 calc R . . . .
C17 C 0.5577(2) 0.6598(2) 0.6837(2) 0.0183(6) Uani 1 1 d . U . . .
C19 C 0.2890(2) 0.4607(2) 0.4585(2) 0.0207(6) Uani 1 1 d . U . . .
C16 C 0.9666(2) 0.6487(2) 1.0494(2) 0.0173(6) Uani 1 1 d . U . . .
C9 C 0.7279(2) 0.7682(2) 0.8540(2) 0.0199(6) Uani 1 1 d . U . . .
C28 C 0.3003(2) 0.2967(2) 0.4316(2) 0.0210(6) Uani 1 1 d . U . . .
C7 C 0.7117(2) 0.9979(2) 0.8558(2) 0.0195(6) Uani 1 1 d . U . . .
H7 H 0.695854 0.977871 0.791632 0.023 Uiso 1 1 calc R . . . .
C8 C 0.6814(2) 0.8280(2) 0.8342(2) 0.0199(6) Uani 1 1 d . U . . .
C21 C 0.1807(2) 0.4312(2) 0.3811(2) 0.0173(6) Uani 1 1 d . U . . .
C14 C 0.9454(2) 0.7329(2) 1.0333(2) 0.0174(6) Uani 1 1 d . U . . .
C20 C 0.3375(2) 0.4031(2) 0.4807(2) 0.0212(6) Uani 1 1 d . U . . .
C10 C 0.8283(2) 0.7901(2) 0.9372(2) 0.0196(6) Uani 1 1 d . U . . .
C1 C 0.7342(2) 1.1644(2) 0.8628(2) 0.0225(6) Uani 1 1 d . U . . .
C6 C 0.7115(2) 0.9309(2) 0.8956(2) 0.0205(6) Uani 1 1 d . U . . .
C32 C 0.3304(2) 0.1515(2) 0.4327(2) 0.0212(6) Uani 1 1 d . U . . .
C24 C -0.0212(2) 0.3711(2) 0.2315(2) 0.0237(6) Uani 1 1 d . U . . .
H24 H -0.088639 0.349555 0.180756 0.028 Uiso 1 1 calc R . . . .
C12 C 1.0056(2) 0.9013(2) 1.0647(2) 0.0299(7) Uani 1 1 d . U . . .
H12 H 1.058451 0.964133 1.099938 0.036 Uiso 1 1 calc R . . . .
N1 N 0.0491(2) -0.2616(2) 0.3052(3) 0.0443(8) Uani 1 1 d D U . . .
C13 C 1.0245(2) 0.8259(2) 1.0866(2) 0.0242(6) Uani 1 1 d . U . . .
H13 H 1.089113 0.838037 1.136230 0.029 Uiso 1 1 calc R . . . .
C15 C 0.8485(2) 0.7155(2) 0.9603(2) 0.0182(6) Uani 1 1 d . U . . .
H15 H 0.795735 0.652674 0.926096 0.022 Uiso 1 1 calc R . . . .
O10 O 1.3977(3) 0.5537(3) 1.0623(2) 0.0637(9) Uani 1 1 d . U . . .
H10 H 1.389931 0.566888 1.109078 0.096 Uiso 1 1 calc GR . . . .
C2 C 0.7351(2) 1.0944(2) 0.9097(2) 0.0225(6) Uani 1 1 d . U . . .
C51 C 1.4362(2) 0.9389(3) 0.6056(2) 0.0269(7) Uani 1 1 d . U . . .
C33 C 0.3585(2) 0.2513(2) 0.4766(2) 0.0211(6) Uani 1 1 d . U . . .
H33 H 0.418202 0.289045 0.537933 0.025 Uiso 1 1 calc R . . . .
C11 C 0.9096(2) 0.8844(2) 0.9912(2) 0.0274(7) Uani 1 1 d . U . . .
H11 H 0.898686 0.935743 0.977610 0.033 Uiso 1 1 calc R . . . .
C29 C 0.2116(2) 0.2376(2) 0.3387(2) 0.0300(7) Uani 1 1 d . U . . .
H29 H 0.172506 0.265547 0.305039 0.036 Uiso 1 1 calc R . . . .
C25 C -0.0027(2) 0.3425(2) 0.3065(2) 0.0289(7) Uani 1 1 d . U . . .
H25 H -0.058087 0.302683 0.306530 0.035 Uiso 1 1 calc R . . . .
C31 C 0.2404(2) 0.0938(2) 0.3425(2) 0.0294(7) Uani 1 1 d . U . . .
H31 H 0.219687 0.026736 0.313238 0.035 Uiso 1 1 calc R . . . .
C18 C 0.4740(2) 0.5822(2) 0.6063(2) 0.0208(6) Uani 1 1 d . U . . .
C26 C 0.0974(2) 0.3730(2) 0.3812(2) 0.0252(6) Uani 1 1 d . U . . .
H26 H 0.109055 0.354486 0.431812 0.030 Uiso 1 1 calc R . . . .
C44 C 1.3352(3) 0.5748(3) 0.9960(3) 0.0394(8) Uani 1 1 d . U . . .
C49 C 1.4084(2) 0.9033(3) 0.6706(2) 0.0290(7) Uani 1 1 d . U . . .
C30 C 0.1817(3) 0.1373(2) 0.2965(3) 0.0358(8) Uani 1 1 d . U . . .
H30 H 0.120944 0.098716 0.236089 0.043 Uiso 1 1 calc R . . . .
C5 C 0.7340(3) 0.9619(2) 0.9914(2) 0.0337(8) Uani 1 1 d . U . . .
H5 H 0.733129 0.917761 1.018983 0.040 Uiso 1 1 calc R . . . .
C50 C 1.3354(3) 0.8093(3) 0.6327(3) 0.0299(7) Uani 1 1 d . U . . .
H50 H 1.301015 0.769636 0.566293 0.036 Uiso 1 1 calc R . . . .
C3 C 0.7581(3) 1.1244(2) 1.0047(2) 0.0333(8) Uani 1 1 d . U . . .
H3 H 0.773755 1.188765 1.041282 0.040 Uiso 1 1 calc R . . . .
C48 C 1.4591(3) 0.9628(3) 0.7692(3) 0.0399(8) Uani 1 1 d . U . . .
H48 H 1.507781 1.026402 0.795290 0.048 Uiso 1 1 calc R . . . .
C46 C 1.3642(3) 0.8333(3) 0.7916(3) 0.0434(9) Uani 1 1 d . U . . .
H46 H 1.349681 0.810322 0.832278 0.052 Uiso 1 1 calc R . . . .
C35 C 1.0505(3) 0.5270(3) 0.5328(3) 0.0411(9) Uani 1 1 d . U . . .
C37 C 1.2323(3) 0.6732(3) 0.6498(3) 0.0361(8) Uani 1 1 d . U . . .
C45 C 1.3123(3) 0.7727(3) 0.6920(3) 0.0353(7) Uani 1 1 d . U . . .
C36 C 1.2325(3) 0.6082(3) 0.6892(3) 0.0398(8) Uani 1 1 d . U . . .
C4 C 0.7577(3) 1.0578(3) 1.0459(3) 0.0416(9) Uani 1 1 d . U . . .
H4 H 0.773354 1.077893 1.110057 0.050 Uiso 1 1 calc R . . . .
C39 C 1.2926(3) 0.5946(3) 0.8459(3) 0.0411(8) Uani 1 1 d D U . . .
H39 H 1.228116 0.586834 0.837798 0.049 Uiso 1 1 calc R . . . .
C40 C 1.3643(3) 0.5873(3) 0.9241(3) 0.0475(9) Uani 1 1 d D U . . .
C47 C 1.4366(3) 0.9268(3) 0.8295(3) 0.0506(10) Uani 1 1 d . U . . .
H47 H 1.471104 0.966621 0.895915 0.061 Uiso 1 1 calc R . . . .
C38 C 1.3159(3) 0.6135(3) 0.7793(3) 0.0471(9) Uani 1 1 d D U . . .
C53 C -0.0388(4) -0.3545(4) 0.2606(4) 0.0737(16) Uani 1 1 d . U . . .
H53A H -0.090600 -0.364056 0.197956 0.111 Uiso 1 1 calc GR . . . .
H53B H -0.067361 -0.354583 0.301550 0.111 Uiso 1 1 calc GR . . . .
H53C H -0.016562 -0.406282 0.252855 0.111 Uiso 1 1 calc GR . . . .
C41A C 1.4677(4) 0.6148(4) 0.9488(5) 0.0631(14) Uani 0.75 1 d D U P A 2
H41A H 1.516190 0.614362 1.004682 0.076 Uiso 0.75 1 calc R . P A 2
C43A C 1.4214(5) 0.6421(5) 0.8060(6) 0.0535(18) Uani 0.5 1 d D U P A 2
H43A H 1.440788 0.661380 0.765832 0.064 Uiso 0.5 1 calc R . P A 2
C42A C 1.4966(6) 0.6429(6) 0.8883(6) 0.0538(18) Uani 0.5 1 d D U P A 2
H42A H 1.564638 0.661744 0.902870 0.065 Uiso 0.5 1 calc R . P A 2
C52B C 0.0160(6) -0.1831(6) 0.2996(7) 0.050(2) Uani 0.5 1 d D U P B 1
H52A H 0.074776 -0.124428 0.322675 0.075 Uiso 0.5 1 calc GR . P B 1
H52B H -0.013781 -0.172052 0.339202 0.075 Uiso 0.5 1 calc GR . P B 1
H52C H -0.034589 -0.201300 0.233128 0.075 Uiso 0.5 1 calc GR . P B 1
H0AA H 0.415(3) -0.338(3) 0.318(3) 0.032(10) Uiso 1 1 d . . . . .
C52A C 0.0517(9) -0.1715(7) 0.3699(9) 0.090(4) Uani 0.5 1 d D U P B 2
H52D H 0.053668 -0.178886 0.425735 0.134 Uiso 0.5 1 calc GR . P B 2
H52E H -0.009117 -0.162567 0.334232 0.134 Uiso 0.5 1 calc GR . P B 2
H52F H 0.112259 -0.115662 0.390889 0.134 Uiso 0.5 1 calc GR . P B 2
C42B C 1.4726(6) 0.5948(7) 0.8559(6) 0.0595(18) Uani 0.5 1 d D U P A 1
H42B H 1.532733 0.593154 0.858740 0.071 Uiso 0.5 1 calc R . P A 1
C43B C 1.4045(6) 0.6091(6) 0.7812(7) 0.0559(18) Uani 0.5 1 d D U P A 1
H43B H 1.417501 0.615765 0.733241 0.067 Uiso 0.5 1 calc R . P A 1
C41B C 1.4528(7) 0.5829(6) 0.9263(8) 0.045(2) Uani 0.25 1 d D U P A 1
H41B H 1.498818 0.571910 0.975193 0.054 Uiso 0.25 1 calc R . P A 1


_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 O14 2.736(2) 1_666 ?
Dy1 O4 2.283(2) . ?
Dy1 O3 2.304(2) 2_767 ?
Dy1 O1 2.307(2) 2_777 ?
Dy1 O5 2.306(2) 1_656 ?
Dy1 O6 2.296(2) 2_666 ?
Dy1 O9 2.397(2) . ?
Dy1 O15 2.457(2) 1_666 ?
Dy1 C0AA 2.953(3) 1_666 ?
Dy2 O14 2.396(2) . ?
Dy2 O8 2.324(2) 2_656 ?
Dy2 O7 2.250(2) . ?
Dy2 O11 2.315(2) 1_445 ?
Dy2 O12 2.315(2) 2_766 ?
Dy2 O13 2.325(2) . ?
Dy2 O2 2.294(2) 2_666 ?
S2 C17 1.758(3) . ?
S2 C9 1.772(3) . ?
S1 C17 1.748(3) . ?
S1 C8 1.765(3) . ?
S4 C20 1.773(3) . ?
S4 C18 1.748(3) . ?
S3 C19 1.766(3) . ?
S3 C18 1.756(3) . ?
S6 C35 1.761(4) . ?
S6 C37 1.758(4) . ?
S5 C35 1.742(4) . ?
S5 C36 1.753(4) . ?
O14 C0AA 1.255(4) . ?
O4 C16 1.258(3) . ?
O3 C16 1.250(3) . ?
O1 C1 1.261(4) . ?
O8 C34 1.259(4) . ?
O5 C27 1.253(4) . ?
O6 C27 1.259(4) . ?
O7 C34 1.261(4) . ?
O9 C44 1.205(4) . ?
O11 C51 1.245(4) . ?
O12 C51 1.260(4) . ?
O13 C54 1.226(4) . ?
O2 C1 1.251(4) . ?
O15 C0AA 1.250(4) . ?
C27 C23 1.499(4) . ?
C0AA H0AA 0.97(4) . ?
C23 C22 1.388(4) . ?
C23 C24 1.389(4) . ?
C34 C32 1.494(4) . ?
C22 H22 0.9300 . ?
C22 C21 1.395(4) . ?
C54 H54 0.9300 . ?
C54 N1 1.297(5) . ?
C17 C18 1.338(4) . ?
C19 C21 1.487(4) . ?
C19 C20 1.351(4) . ?
C16 C14 1.504(4) . ?
C9 C8 1.354(4) . ?
C9 C10 1.471(4) . ?
C28 C20 1.469(4) . ?
C28 C33 1.398(4) . ?
C28 C29 1.402(4) . ?
C7 H7 0.9300 . ?
C7 C6 1.389(4) . ?
C7 C2 1.392(4) . ?
C8 C6 1.480(4) . ?
C21 C26 1.389(4) . ?
C14 C13 1.382(4) . ?
C14 C15 1.390(4) . ?
C10 C15 1.396(4) . ?
C10 C11 1.408(4) . ?
C1 C2 1.512(4) . ?
C6 C5 1.392(4) . ?
C32 C33 1.391(4) . ?
C32 C31 1.384(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.388(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.394(4) . ?
C12 C11 1.385(4) . ?
N1 C53 1.451(5) . ?
N1 C52B 1.462(7) . ?
N1 C52A 1.505(8) . ?
C13 H13 0.9300 . ?
C15 H15 0.9300 . ?
O10 H10 0.8200 . ?
O10 C44 1.324(4) . ?
C2 C3 1.379(5) . ?
C51 C49 1.509(5) . ?
C33 H33 0.9300 . ?
C11 H11 0.9300 . ?
C29 H29 0.9300 . ?
C29 C30 1.392(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.380(4) . ?
C31 H31 0.9300 . ?
C31 C30 1.385(5) . ?
C26 H26 0.9300 . ?
C44 C40 1.492(5) . ?
C49 C50 1.382(5) . ?
C49 C48 1.384(5) . ?
C30 H30 0.9300 . ?
C5 H5 0.9300 . ?
C5 C4 1.385(5) . ?
C50 H50 0.9300 . ?
C50 C45 1.394(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.399(5) . ?
C48 H48 0.9300 . ?
C48 C47 1.400(5) . ?
C46 H46 0.9300 . ?
C46 C45 1.397(5) . ?
C46 C47 1.374(6) . ?
C35 C35 1.338(8) 2_766 ?
C37 C45 1.474(5) . ?
C37 C36 1.355(5) . ?
C36 C38 1.490(5) . ?
C4 H4 0.9300 . ?
C39 H39 0.9300 . ?
C39 C40 1.381(4) . ?
C39 C38 1.385(4) . ?
C40 C41A 1.402(6) . ?
C40 C41B 1.391(8) . ?
C47 H47 0.9300 . ?
C38 C43A 1.423(7) . ?
C38 C43B 1.391(7) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C41A H41A 0.9300 . ?
C41A C42A 1.394(7) . ?
C43A H43A 0.9300 . ?
C43A C42A 1.382(8) . ?
C42A H42A 0.9300 . ?
C52B H52A 0.9600 . ?
C52B H52B 0.9600 . ?
C52B H52C 0.9600 . ?
C52A H52D 0.9600 . ?
C52A H52E 0.9600 . ?
C52A H52F 0.9600 . ?
C42B H42B 0.9300 . ?
C42B C43B 1.382(8) . ?
C42B C41B 1.380(9) . ?
C43B H43B 0.9300 . ?
C41B H41B 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O14 Dy1 C0AA 25.12(8) 1_666 1_666 ?
O4 Dy1 O14 88.02(7) . 1_666 ?
O4 Dy1 O3 122.96(8) . 2_767 ?
O4 Dy1 O1 81.85(8) . 2_777 ?
O4 Dy1 O5 76.64(8) . 1_656 ?
O4 Dy1 O6 76.74(8) . 2_666 ?
O4 Dy1 O9 145.83(8) . . ?
O4 Dy1 O15 135.10(8) . 1_666 ?
O4 Dy1 C0AA 111.78(9) . 1_666 ?
O3 Dy1 O14 125.44(7) 2_767 1_666 ?
O3 Dy1 O1 145.14(8) 2_767 2_777 ?
O3 Dy1 O5 74.65(8) 2_767 1_656 ?
O3 Dy1 O9 74.08(8) 2_767 . ?
O3 Dy1 O15 81.75(7) 2_767 1_666 ?
O3 Dy1 C0AA 103.29(8) 2_767 1_666 ?
O1 Dy1 O14 74.37(7) 2_777 1_666 ?
O1 Dy1 O9 72.64(8) 2_777 . ?
O1 Dy1 O15 97.45(8) 2_777 1_666 ?
O1 Dy1 C0AA 86.45(9) 2_777 1_666 ?
O5 Dy1 O14 70.64(7) 1_656 1_666 ?
O5 Dy1 O1 139.18(8) 1_656 2_777 ?
O5 Dy1 O9 137.22(8) 1_656 . ?
O5 Dy1 O15 75.36(8) 1_656 1_666 ?
O5 Dy1 C0AA 70.40(9) 1_656 1_666 ?
O6 Dy1 O14 154.49(7) 2_666 1_666 ?
O6 Dy1 O3 80.05(8) 2_666 2_767 ?
O6 Dy1 O1 83.20(8) 2_666 2_777 ?
O6 Dy1 O5 123.81(8) 2_666 1_656 ?
O6 Dy1 O9 77.98(8) 2_666 . ?
O6 Dy1 O15 148.08(8) 2_666 1_666 ?
O6 Dy1 C0AA 165.54(9) 2_666 1_666 ?
O9 Dy1 O14 106.00(7) . 1_666 ?
O9 Dy1 O15 71.91(8) . 1_666 ?
O9 Dy1 C0AA 89.32(9) . 1_666 ?
O15 Dy1 O14 49.69(7) 1_666 1_666 ?
O15 Dy1 C0AA 24.60(8) 1_666 1_666 ?
O8 Dy2 O14 75.44(7) 2_656 . ?
O8 Dy2 O13 134.40(9) 2_656 . ?
O7 Dy2 O14 158.57(8) . . ?
O7 Dy2 O8 125.94(8) . 2_656 ?
O7 Dy2 O11 80.58(9) . 1_445 ?
O7 Dy2 O12 78.66(8) . 2_766 ?
O7 Dy2 O13 82.81(9) . . ?
O7 Dy2 O2 88.06(8) . 2_666 ?
O11 Dy2 O14 106.13(8) 1_445 . ?
O11 Dy2 O8 76.09(9) 1_445 2_656 ?
O11 Dy2 O13 75.22(9) 1_445 . ?
O12 Dy2 O14 111.14(8) 2_766 . ?
O12 Dy2 O8 77.12(8) 2_766 2_656 ?
O12 Dy2 O11 126.01(8) 2_766 1_445 ?
O12 Dy2 O13 148.18(9) 2_766 . ?
O13 Dy2 O14 79.45(8) . . ?
O2 Dy2 O14 76.45(8) 2_666 . ?
O2 Dy2 O8 130.59(9) 2_666 2_656 ?
O2 Dy2 O11 151.44(9) 2_666 1_445 ?
O2 Dy2 O12 76.32(8) 2_666 2_766 ?
O2 Dy2 O13 77.42(9) 2_666 . ?
C17 S2 C9 95.57(14) . . ?
C17 S1 C8 95.52(14) . . ?
C18 S4 C20 96.16(14) . . ?
C18 S3 C19 95.46(14) . . ?
C37 S6 C35 95.43(18) . . ?
C35 S5 C36 95.62(19) . . ?
Dy2 O14 Dy1 133.15(9) . 1_444 ?
C0AA O14 Dy1 87.17(18) . 1_444 ?
C0AA O14 Dy2 132.39(19) . . ?
C16 O4 Dy1 135.2(2) . . ?
C16 O3 Dy1 141.9(2) . 2_767 ?
C1 O1 Dy1 135.8(2) . 2_777 ?
C34 O8 Dy2 120.54(19) . 2_656 ?
C27 O5 Dy1 138.6(2) . 1_454 ?
C27 O6 Dy1 151.8(2) . 2_666 ?
C34 O7 Dy2 167.8(2) . . ?
C44 O9 Dy1 146.1(3) . . ?
C51 O11 Dy2 139.3(2) . 1_665 ?
C51 O12 Dy2 138.9(2) . 2_766 ?
C54 O13 Dy2 141.2(3) . . ?
C1 O2 Dy2 144.3(2) . 2_666 ?
C0AA O15 Dy1 100.5(2) . 1_444 ?
O5 C27 O6 125.2(3) . . ?
O5 C27 C23 116.8(3) . . ?
O6 C27 C23 118.1(3) . . ?
Dy1 C0AA H0AA 176(2) 1_444 . ?
O14 C0AA Dy1 67.71(17) . 1_444 ?
O14 C0AA H0AA 116(2) . . ?
O15 C0AA Dy1 54.89(16) . 1_444 ?
O15 C0AA O14 122.5(3) . . ?
O15 C0AA H0AA 122(2) . . ?
C22 C23 C27 119.5(3) . . ?
C22 C23 C24 119.6(3) . . ?
C24 C23 C27 120.9(3) . . ?
O8 C34 O7 123.3(3) . . ?
O8 C34 C32 118.3(3) . . ?
O7 C34 C32 118.4(3) . . ?
C23 C22 H22 119.7 . . ?
C23 C22 C21 120.5(3) . . ?
C21 C22 H22 119.7 . . ?
O13 C54 H54 117.3 . . ?
O13 C54 N1 125.3(4) . . ?
N1 C54 H54 117.3 . . ?
S1 C17 S2 114.41(16) . . ?
C18 C17 S2 121.3(2) . . ?
C18 C17 S1 124.3(2) . . ?
C21 C19 S3 113.9(2) . . ?
C20 C19 S3 117.6(2) . . ?
C20 C19 C21 128.4(3) . . ?
O4 C16 C14 117.3(3) . . ?
O3 C16 O4 125.0(3) . . ?
O3 C16 C14 117.7(3) . . ?
C8 C9 S2 116.3(2) . . ?
C8 C9 C10 129.9(3) . . ?
C10 C9 S2 113.5(2) . . ?
C33 C28 C20 119.1(3) . . ?
C33 C28 C29 117.2(3) . . ?
C29 C28 C20 123.6(3) . . ?
C6 C7 H7 119.2 . . ?
C6 C7 C2 121.5(3) . . ?
C2 C7 H7 119.2 . . ?
C9 C8 S1 117.2(2) . . ?
C9 C8 C6 129.5(3) . . ?
C6 C8 S1 113.2(2) . . ?
C22 C21 C19 119.9(3) . . ?
C26 C21 C22 119.2(3) . . ?
C26 C21 C19 120.9(3) . . ?
C13 C14 C16 119.8(3) . . ?
C13 C14 C15 120.4(3) . . ?
C15 C14 C16 119.7(2) . . ?
C19 C20 S4 116.0(2) . . ?
C19 C20 C28 129.6(3) . . ?
C28 C20 S4 114.3(2) . . ?
C15 C10 C9 120.4(3) . . ?
C15 C10 C11 117.7(3) . . ?
C11 C10 C9 121.7(3) . . ?
O1 C1 C2 117.7(3) . . ?
O2 C1 O1 125.3(3) . . ?
O2 C1 C2 117.0(3) . . ?
C7 C6 C8 119.6(3) . . ?
C7 C6 C5 118.4(3) . . ?
C5 C6 C8 121.9(3) . . ?
C33 C32 C34 118.3(3) . . ?
C31 C32 C34 121.9(3) . . ?
C31 C32 C33 119.6(3) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0(3) . . ?
C25 C24 H24 120.0 . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.2(3) . . ?
C54 N1 C53 122.0(4) . . ?
C54 N1 C52B 121.4(4) . . ?
C54 N1 C52A 116.5(5) . . ?
C53 N1 C52B 111.5(5) . . ?
C53 N1 C52A 119.2(6) . . ?
C14 C13 C12 118.8(3) . . ?
C14 C13 H13 120.6 . . ?
C12 C13 H13 120.6 . . ?
C14 C15 C10 121.6(3) . . ?
C14 C15 H15 119.2 . . ?
C10 C15 H15 119.2 . . ?
C44 O10 H10 109.5 . . ?
C7 C2 C1 119.4(3) . . ?
C3 C2 C7 119.5(3) . . ?
C3 C2 C1 121.1(3) . . ?
O11 C51 O12 125.7(3) . . ?
O11 C51 C49 117.5(3) . . ?
O12 C51 C49 116.8(3) . . ?
C28 C33 H33 118.9 . . ?
C32 C33 C28 122.3(3) . . ?
C32 C33 H33 118.9 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(3) . . ?
C12 C11 H11 119.8 . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.3(3) . . ?
C30 C29 H29 119.9 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.3(3) . . ?
C26 C25 H25 119.9 . . ?
C32 C31 H31 120.5 . . ?
C32 C31 C30 119.0(3) . . ?
C30 C31 H31 120.5 . . ?
S4 C18 S3 114.54(16) . . ?
C17 C18 S4 121.4(2) . . ?
C17 C18 S3 124.1(2) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 C21 120.4(3) . . ?
C25 C26 H26 119.8 . . ?
O9 C44 O10 123.1(4) . . ?
O9 C44 C40 121.4(3) . . ?
O10 C44 C40 115.4(3) . . ?
C50 C49 C51 120.2(3) . . ?
C50 C49 C48 119.6(3) . . ?
C48 C49 C51 120.2(3) . . ?
C29 C30 H30 119.3 . . ?
C31 C30 C29 121.5(3) . . ?
C31 C30 H30 119.3 . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.7(3) . . ?
C4 C5 H5 119.7 . . ?
C49 C50 H50 119.3 . . ?
C49 C50 C45 121.4(3) . . ?
C45 C50 H50 119.3 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C49 C48 H48 120.2 . . ?
C49 C48 C47 119.6(4) . . ?
C47 C48 H48 120.2 . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C47 C46 C45 120.2(4) . . ?
S5 C35 S6 114.2(2) . . ?
C35 C35 S6 122.8(4) 2_766 . ?
C35 C35 S5 123.0(4) 2_766 . ?
C45 C37 S6 115.6(3) . . ?
C36 C37 S6 116.4(3) . . ?
C36 C37 C45 127.9(4) . . ?
C50 C45 C46 118.6(3) . . ?
C50 C45 C37 120.6(3) . . ?
C46 C45 C37 120.8(3) . . ?
C37 C36 S5 117.3(3) . . ?
C37 C36 C38 129.8(4) . . ?
C38 C36 S5 112.8(3) . . ?
C5 C4 C3 120.1(3) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C40 C39 H39 119.8 . . ?
C40 C39 C38 120.5(3) . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C44 116.5(3) . . ?
C39 C40 C41A 121.6(4) . . ?
C39 C40 C41B 118.8(6) . . ?
C41A C40 C44 120.0(4) . . ?
C41B C40 C44 124.5(6) . . ?
C48 C47 H47 119.7 . . ?
C46 C47 C48 120.7(4) . . ?
C46 C47 H47 119.7 . . ?
C39 C38 C36 119.0(3) . . ?
C39 C38 C43A 116.3(5) . . ?
C39 C38 C43B 120.1(5) . . ?
C43A C38 C36 124.7(5) . . ?
C43B C38 C36 118.4(5) . . ?
N1 C53 H53A 109.5 . . ?
N1 C53 H53B 109.5 . . ?
N1 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C40 C41A H41A 120.5 . . ?
C42A C41A C40 119.0(6) . . ?
C42A C41A H41A 120.5 . . ?
C38 C43A H43A 118.2 . . ?
C42A C43A C38 123.5(7) . . ?
C42A C43A H43A 118.2 . . ?
C41A C42A H42A 120.9 . . ?
C43A C42A C41A 118.2(7) . . ?
C43A C42A H42A 120.9 . . ?
N1 C52B H52A 109.5 . . ?
N1 C52B H52B 109.5 . . ?
N1 C52B H52C 109.5 . . ?
H52A C52B H52B 109.5 . . ?
H52A C52B H52C 109.5 . . ?
H52B C52B H52C 109.5 . . ?
N1 C52A H52D 109.5 . . ?
N1 C52A H52E 109.5 . . ?
N1 C52A H52F 109.5 . . ?
H52D C52A H52E 109.5 . . ?
H52D C52A H52F 109.5 . . ?
H52E C52A H52F 109.5 . . ?
C43B C42B H42B 119.4 . . ?
C41B C42B H42B 119.4 . . ?
C41B C42B C43B 121.2(8) . . ?
C38 C43B H43B 120.7 . . ?
C42B C43B C38 118.6(7) . . ?
C42B C43B H43B 120.7 . . ?
C40 C41B H41B 120.0 . . ?
C42B C41B C40 120.1(9) . . ?
C42B C41B H41B 120.0 . . ?

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 O14 C0AA O15 3.6(3) 1_444 . . . ?
Dy1 O4 C16 O3 56.3(4) . . . . ?
Dy1 O4 C16 C14 -121.8(3) . . . . ?
Dy1 O3 C16 O4 -40.8(5) 2_767 . . . ?
Dy1 O3 C16 C14 137.4(3) 2_767 . . . ?
Dy1 O1 C1 O2 -33.8(5) 2_777 . . . ?
Dy1 O1 C1 C2 145.6(2) 2_777 . . . ?
Dy1 O5 C27 O6 -11.4(5) 1_454 . . . ?
Dy1 O5 C27 C23 168.9(2) 1_454 . . . ?
Dy1 O6 C27 O5 8.0(7) 2_666 . . . ?
Dy1 O6 C27 C23 -172.3(3) 2_666 . . . ?
Dy1 O9 C44 O10 16.6(8) . . . . ?
Dy1 O9 C44 C40 -166.0(3) . . . . ?
Dy1 O15 C0AA O14 -4.0(4) 1_444 . . . ?
Dy2 O14 C0AA Dy1 -151.9(3) . . . 1_444 ?
Dy2 O14 C0AA O15 -148.3(2) . . . . ?
Dy2 O8 C34 O7 14.0(4) 2_656 . . . ?
Dy2 O8 C34 C32 -164.0(2) 2_656 . . . ?
Dy2 O7 C34 O8 -35.9(13) . . . . ?
Dy2 O7 C34 C32 142.2(9) . . . . ?
Dy2 O11 C51 O12 -12.7(6) 1_665 . . . ?
Dy2 O11 C51 C49 168.3(2) 1_665 . . . ?
Dy2 O12 C51 O11 -27.4(5) 2_766 . . . ?
Dy2 O12 C51 C49 151.6(2) 2_766 . . . ?
Dy2 O13 C54 N1 179.9(3) . . . . ?
Dy2 O2 C1 O1 -46.5(5) 2_666 . . . ?
Dy2 O2 C1 C2 134.1(3) 2_666 . . . ?
S2 C17 C18 S4 0.6(4) . . . . ?
S2 C17 C18 S3 178.64(17) . . . . ?
S2 C9 C8 S1 -1.8(3) . . . . ?
S2 C9 C8 C6 178.4(3) . . . . ?
S2 C9 C10 C15 -26.5(4) . . . . ?
S2 C9 C10 C11 148.7(3) . . . . ?
S1 C17 C18 S4 -177.20(17) . . . . ?
S1 C17 C18 S3 0.8(4) . . . . ?
S1 C8 C6 C7 -46.1(4) . . . . ?
S1 C8 C6 C5 130.1(3) . . . . ?
S3 C19 C21 C22 59.8(3) . . . . ?
S3 C19 C21 C26 -120.4(3) . . . . ?
S3 C19 C20 S4 2.6(4) . . . . ?
S3 C19 C20 C28 -173.6(3) . . . . ?
S6 C37 C45 C50 -38.8(5) . . . . ?
S6 C37 C45 C46 139.2(3) . . . . ?
S6 C37 C36 S5 -0.8(4) . . . . ?
S6 C37 C36 C38 174.9(3) . . . . ?
S5 C36 C38 C39 -54.0(5) . . . . ?
S5 C36 C38 C43A 129.7(4) . . . . ?
S5 C36 C38 C43B 107.9(5) . . . . ?
O4 C16 C14 C13 -11.8(4) . . . . ?
O4 C16 C14 C15 163.8(3) . . . . ?
O3 C16 C14 C13 169.9(3) . . . . ?
O3 C16 C14 C15 -14.5(4) . . . . ?
O1 C1 C2 C7 178.3(3) . . . . ?
O1 C1 C2 C3 -1.2(5) . . . . ?
O8 C34 C32 C33 3.5(4) . . . . ?
O8 C34 C32 C31 178.9(3) . . . . ?
O5 C27 C23 C22 -8.4(4) . . . . ?
O5 C27 C23 C24 172.7(3) . . . . ?
O6 C27 C23 C22 171.9(3) . . . . ?
O6 C27 C23 C24 -6.9(4) . . . . ?
O7 C34 C32 C33 -174.6(3) . . . . ?
O7 C34 C32 C31 0.7(5) . . . . ?
O9 C44 C40 C39 -7.1(6) . . . . ?
O9 C44 C40 C41A 157.3(4) . . . . ?
O9 C44 C40 C41B 179.1(5) . . . . ?
O11 C51 C49 C50 -5.8(5) . . . . ?
O11 C51 C49 C48 171.2(3) . . . . ?
O12 C51 C49 C50 175.0(3) . . . . ?
O12 C51 C49 C48 -7.9(5) . . . . ?
O13 C54 N1 C53 175.9(4) . . . . ?
O13 C54 N1 C52B 23.6(8) . . . . ?
O13 C54 N1 C52A -21.6(9) . . . . ?
O2 C1 C2 C7 -2.3(4) . . . . ?
O2 C1 C2 C3 178.2(3) . . . . ?
C27 C23 C22 C21 -179.0(3) . . . . ?
C27 C23 C24 C25 -179.5(3) . . . . ?
C23 C22 C21 C19 177.8(3) . . . . ?
C23 C22 C21 C26 -2.0(4) . . . . ?
C23 C24 C25 C26 -1.0(5) . . . . ?
C34 C32 C33 C28 173.8(3) . . . . ?
C34 C32 C31 C30 -173.5(3) . . . . ?
C22 C23 C24 C25 1.7(5) . . . . ?
C22 C21 C26 C25 2.6(5) . . . . ?
C17 S2 C9 C8 -4.5(3) . . . . ?
C17 S2 C9 C10 -178.9(2) . . . . ?
C17 S1 C8 C9 7.2(3) . . . . ?
C17 S1 C8 C6 -173.0(2) . . . . ?
C19 S3 C18 S4 4.5(2) . . . . ?
C19 S3 C18 C17 -173.7(3) . . . . ?
C19 C21 C26 C25 -177.1(3) . . . . ?
C16 C14 C13 C12 174.5(3) . . . . ?
C16 C14 C15 C10 -174.3(3) . . . . ?
C9 S2 C17 S1 9.26(19) . . . . ?
C9 S2 C17 C18 -168.8(3) . . . . ?
C9 C8 C6 C7 133.6(3) . . . . ?
C9 C8 C6 C5 -50.2(5) . . . . ?
C9 C10 C15 C14 174.6(3) . . . . ?
C9 C10 C11 C12 -175.3(3) . . . . ?
C28 C29 C30 C31 -2.9(6) . . . . ?
C7 C6 C5 C4 -1.0(5) . . . . ?
C7 C2 C3 C4 0.1(5) . . . . ?
C8 S1 C17 S2 -10.0(2) . . . . ?
C8 S1 C17 C18 168.0(3) . . . . ?
C8 C9 C10 C15 160.0(3) . . . . ?
C8 C9 C10 C11 -24.8(5) . . . . ?
C8 C6 C5 C4 -177.3(3) . . . . ?
C21 C19 C20 S4 -179.3(3) . . . . ?
C21 C19 C20 C28 4.5(6) . . . . ?
C20 S4 C18 S3 -3.4(2) . . . . ?
C20 S4 C18 C17 174.8(3) . . . . ?
C20 C19 C21 C22 -118.4(4) . . . . ?
C20 C19 C21 C26 61.3(5) . . . . ?
C20 C28 C33 C32 -177.4(3) . . . . ?
C20 C28 C29 C30 179.5(3) . . . . ?
C10 C9 C8 S1 171.5(3) . . . . ?
C10 C9 C8 C6 -8.3(6) . . . . ?
C1 C2 C3 C4 179.6(3) . . . . ?
C6 C7 C2 C1 -179.9(3) . . . . ?
C6 C7 C2 C3 -0.4(5) . . . . ?
C6 C5 C4 C3 0.7(6) . . . . ?
C32 C31 C30 C29 0.4(6) . . . . ?
C24 C23 C22 C21 -0.1(4) . . . . ?
C24 C25 C26 C21 -1.1(5) . . . . ?
C13 C14 C15 C10 1.4(5) . . . . ?
C13 C12 C11 C10 0.3(5) . . . . ?
C15 C14 C13 C12 -1.1(5) . . . . ?
C15 C10 C11 C12 0.0(5) . . . . ?
O10 C44 C40 C39 170.5(4) . . . . ?
O10 C44 C40 C41A -25.1(6) . . . . ?
O10 C44 C40 C41B -3.3(6) . . . . ?
C2 C7 C6 C8 177.2(3) . . . . ?
C2 C7 C6 C5 0.9(5) . . . . ?
C2 C3 C4 C5 -0.2(6) . . . . ?
C51 C49 C50 C45 176.5(3) . . . . ?
C51 C49 C48 C47 -176.4(4) . . . . ?
C33 C28 C20 S4 13.4(4) . . . . ?
C33 C28 C20 C19 -170.3(3) . . . . ?
C33 C28 C29 C30 3.0(5) . . . . ?
C33 C32 C31 C30 1.8(5) . . . . ?
C11 C10 C15 C14 -0.8(5) . . . . ?
C11 C12 C13 C14 0.3(5) . . . . ?
C29 C28 C20 S4 -163.0(3) . . . . ?
C29 C28 C20 C19 13.2(6) . . . . ?
C29 C28 C33 C32 -0.7(5) . . . . ?
C31 C32 C33 C28 -1.7(5) . . . . ?
C18 S4 C20 C19 0.6(3) . . . . ?
C18 S4 C20 C28 177.3(2) . . . . ?
C18 S3 C19 C21 177.3(2) . . . . ?
C18 S3 C19 C20 -4.3(3) . . . . ?
C44 C40 C41A C42A -168.7(5) . . . . ?
C44 C40 C41B C42B 179.6(5) . . . . ?
C49 C50 C45 C46 0.3(5) . . . . ?
C49 C50 C45 C37 178.4(3) . . . . ?
C49 C48 C47 C46 -0.6(7) . . . . ?
C50 C49 C48 C47 0.7(6) . . . . ?
C48 C49 C50 C45 -0.6(5) . . . . ?
C35 S6 C37 C45 -171.7(3) . . . . ?
C35 S6 C37 C36 6.6(3) . . . . ?
C35 S5 C36 C37 -5.5(3) . . . . ?
C35 S5 C36 C38 178.0(3) . . . . ?
C37 S6 C35 S5 -10.2(3) . . . . ?
C37 S6 C35 C35 168.8(5) . . . 2_766 ?
C37 C36 C38 C39 130.1(5) . . . . ?
C37 C36 C38 C43A -46.2(7) . . . . ?
C37 C36 C38 C43B -68.0(7) . . . . ?
C45 C46 C47 C48 0.3(7) . . . . ?
C45 C37 C36 S5 177.3(3) . . . . ?
C45 C37 C36 C38 -7.0(7) . . . . ?
C36 S5 C35 S6 9.9(3) . . . . ?
C36 S5 C35 C35 -169.1(5) . . . 2_766 ?
C36 C37 C45 C50 143.1(4) . . . . ?
C36 C37 C45 C46 -38.9(6) . . . . ?
C36 C38 C43A C42A -177.5(5) . . . . ?
C36 C38 C43B C42B -167.5(5) . . . . ?
C39 C40 C41A C42A -5.2(5) . . . . ?
C39 C40 C41B C42B 5.9(5) . . . . ?
C39 C38 C43A C42A 6.1(7) . . . . ?
C39 C38 C43B C42B -5.9(7) . . . . ?
C40 C39 C38 C36 172.2(4) . . . . ?
C40 C39 C38 C43A -11.2(7) . . . . ?
C40 C39 C38 C43B 10.7(7) . . . . ?
C40 C41A C42A C43A -0.1(6) . . . . ?
C47 C46 C45 C50 -0.2(6) . . . . ?
C47 C46 C45 C37 -178.3(4) . . . . ?
C38 C39 C40 C44 175.3(4) . . . . ?
C38 C39 C40 C41A 11.2(7) . . . . ?
C38 C39 C40 C41B -10.6(7) . . . . ?
C38 C43A C42A C41A -0.5(8) . . . . ?
C43B C42B C41B C40 -1.4(6) . . . . ?
C41B C42B C43B C38 1.3(8) . . . . ?

_shelx_SHELXL_version_number     2016/6
_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_partial_oxidized_Dy_m_TTFTB
_database_code_depnum_ccdc_archive 'CCDC 2095766'
loop_
_audit_author_name
_audit_author_address
'Jian Su'
;Nanjing University
China
;
_audit_update_record             
;
2021-07-12 deposited with the CCDC.	2022-01-12 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT990_partial_oxidized_Dy_m_TTFTB 
;
PROBLEM: Deprecated .res/.hkl Input Style SQUEEZE Job ...          ! Note
RESPONSE: The .res and .hkl files as well as SQUEEZE result have been already merged in the .cif file.
;
# Added during the CSD deposition process: Monday 12 July 2021 01:46 AM
# end Validation Reply Form

_audit_creation_date             2021-07-10
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C55 H32 Dy2 N O15 S6'
_chemical_formula_sum            'C55 H32 Dy2 N O15 S6'
_chemical_formula_weight         1464.18
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   15.535(2)
_cell_length_b                   15.691(2)
_cell_length_c                   16.802(3)
_cell_angle_alpha                106.320(2)
_cell_angle_beta                 114.686(2)
_cell_angle_gamma                104.098(2)
_cell_volume                     3251.1(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11308
_cell_measurement_temperature    153
_cell_measurement_theta_max      0.634
_cell_measurement_theta_min      0.550
_exptl_absorpt_coefficient_mu    2.532
_exptl_absorpt_correction_T_max  0.634
_exptl_absorpt_correction_T_min  0.550
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1434
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_unetI/netI     0.0739
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            14805
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_diffrn_reflns_theta_min         1.48
_diffrn_ambient_temperature      153
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                11280
_reflns_number_total             14531
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         2.385
_refine_diff_density_min         -2.292
_refine_diff_density_rms         0.256
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     796
_refine_ls_number_reflns         14531
_refine_ls_number_restraints     302
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0475
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0890P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1449
_refine_ls_wR_factor_ref         0.1564
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C5B, C5A, C4B, C4A, C3A, C3B, C41A, C41B, C42B, C42A, C43A, C43B, O10A, O10B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C40A, C40B, C44A, C44B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
3. Uiso/Uaniso restraints and constraints
C5A \\sim C4A \\sim C3A \\sim C3B \\sim C4B \\sim C5B \\sim C41A \\sim C41B
\\sim C42A \\sim C42B \\sim C43A \\sim C43B \\sim O10A \\sim O10B: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
C40A \\sim C40B \\sim C44A \\sim C44B: within 2A with sigma of 0.001 and sigma
for terminal atoms of 0.002
Uanis(C3B) \\sim Ueq, Uanis(C3A) \\sim Ueq, Uanis(C4B) \\sim Ueq, Uanis(C4A)
\\sim Ueq, Uanis(C5B) \\sim Ueq, Uanis(C5A) \\sim Ueq, Uanis(C40A) \\sim Ueq,
Uanis(C40B) \\sim Ueq, Uanis(C44A) \\sim Ueq, Uanis(C44B) \\sim Ueq: with sigma
of 0.001 and sigma for terminal atoms of 0.002
Uanis(O10A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C41A) \\sim Ueq, Uanis(C41B) \\sim Ueq, Uanis(C42A) \\sim Ueq,
Uanis(C42B) \\sim Ueq, Uanis(C43A) \\sim Ueq, Uanis(C43B) \\sim Ueq,
Uanis(O10A) \\sim Ueq, Uanis(O10B) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
4. Others
 Sof(C41A)=Sof(H41A)=Sof(C42A)=Sof(H42A)=Sof(C43A)=Sof(H43A)=Sof(O10B)=
 Sof(C44B)=Sof(C40B)=1-FVAR(1)
 Sof(O10A)=Sof(C40A)=Sof(C41B)=Sof(H41B)=Sof(C42B)=Sof(H42B)=Sof(C43B)=
 Sof(H43B)=Sof(C44A)=FVAR(1)
 Fixed Sof: C3A(0.5) H3A(0.5) C3B(0.5) H3B(0.5) C4A(0.5) H4A(0.5) C4B(0.5)
 H4B(0.5) C5A(0.5) H5A(0.5) C5B(0.5) H5B(0.5)
5.a Riding coordinates:
 C39(H39)
5.b Aromatic/amide H refined with riding coordinates:
 C3A(H3A), C3B(H3B), C4A(H4A), C4B(H4B), C5A(H5A), C5B(H5B), C7(H7), C11(H11),
 C12(H12), C13(H13), C15(H15), C22(H22), C24(H24), C25(H25), C26(H26), C29(H29),
  C30(H30), C31(H31), C33(H33), C41A(H41A), C41B(H41B), C42A(H42A), C42B(H42B),
 C43A(H43A), C43B(H43B), C46(H46), C47(H47), C48(H48), C50(H50), C54(H54),
 C55(H55)
5.c Idealised Me refined as rotating group:
 C52(H52A,H52B,H52C), C53(H53A,H53B,H53C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 1.165062(17) 0.595466(16) 1.071958(16) 0.01762(9) Uani 1 d . . . .
Dy2 Dy 0.379327(18) -0.124256(17) 0.373927(18) 0.02119(9) Uani 1 d . . . .
S1 S 0.56955(11) 0.78111(10) 0.71817(11) 0.0278(3) Uani 1 d B . . .
S2 S 0.66763(11) 0.64896(10) 0.76200(11) 0.0289(3) Uani 1 d B . . .
S3 S 0.36167(12) 0.59036(10) 0.52738(11) 0.0325(4) Uani 1 d . . . .
S4 S 0.46780(12) 0.46531(11) 0.57896(11) 0.0365(4) Uani 1 d . . . .
S5 S 1.11896(15) 0.63783(13) 0.53604(13) 0.0453(4) Uani 1 d . . . .
S6 S 1.12588(17) 0.50089(15) 0.62491(15) 0.0515(5) Uani 1 d . . . .
O1 O 0.7518(3) 1.2515(3) 0.9134(3) 0.0331(10) Uani 1 d . . . .
O2 O 0.7107(3) 1.1313(3) 0.7779(3) 0.0342(10) Uani 1 d . . . .
O3 O 0.8881(3) 0.5707(3) 1.0143(3) 0.0285(9) Uani 1 d . . . .
O4 O 1.0599(3) 0.6626(3) 1.0993(3) 0.0319(10) Uani 1 d B . . .
O5 O 0.1247(3) 0.5266(3) 0.1641(3) 0.0326(10) Uani 1 d . . . .
O6 O -0.0452(3) 0.4294(3) 0.0786(3) 0.0406(12) Uani 1 d . . . .
O7 O 0.3816(3) 0.0235(3) 0.4366(3) 0.0347(10) Uani 1 d . . . .
O8 O 0.4839(3) 0.1688(3) 0.5622(3) 0.0349(10) Uani 1 d . . . .
O9 O 1.2586(3) 0.5799(3) 0.9892(3) 0.0360(10) Uani 1 d . . . .
O10A O 1.3995(8) 0.5564(9) 1.0607(8) 0.0488(19) Uani 0.566(12) d A 1 . U
O11 O 1.3911(4) 0.8792(3) 0.5170(3) 0.0391(11) Uani 1 d . . . .
O12 O 1.4924(3) 1.0280(3) 0.6391(3) 0.0387(11) Uani 1 d . . . .
O13 O 0.2072(3) -0.1778(4) 0.3359(4) 0.0516(13) Uani 1 d . . . .
O14 O 0.3125(3) -0.2930(3) 0.2678(3) 0.0350(10) Uani 1 d . . . .
O15 O 0.3229(3) -0.4157(3) 0.1765(3) 0.0345(10) Uani 1 d . . . .
N1 N 0.0465(5) -0.2617(5) 0.2999(5) 0.0507(16) Uani 1 d . . . .
C1 C 0.7313(4) 1.1646(4) 0.8625(4) 0.0222(11) Uani 1 d B . . .
C2 C 0.7333(4) 1.0951(4) 0.9100(4) 0.0266(12) Uani 1 d . . . .
C3A C 0.7415(10) 1.1242(11) 1.0061(10) 0.0299(12) Uani 0.50 d B 2 . U
H3A H 0.7496 1.1862 1.0411 0.036 Uiso 0.50 calc B 2 R .
C3B C 0.7708(10) 1.1285(11) 1.0081(10) 0.0300(12) Uani 0.50 d B 1 . U
H3B H 0.7964 1.1949 1.0465 0.036 Uiso 0.50 calc B 1 R .
C4A C 0.7363(10) 1.0535(10) 1.0405(10) 0.0300(12) Uani 0.50 d B 2 . U
H4A H 0.7450 1.0710 1.1020 0.036 Uiso 0.50 calc B 2 R .
C4B C 0.7708(9) 1.0647(10) 1.0494(10) 0.0300(12) Uani 0.50 d B 1 . U
H4B H 0.7869 1.0855 1.1135 0.036 Uiso 0.50 calc B 1 R .
C5A C 0.7189(10) 0.9587(12) 0.9895(11) 0.0300(12) Uani 0.50 d B 2 . U
H5A H 0.7120 0.9130 1.0141 0.036 Uiso 0.50 calc B 2 R .
C5B C 0.7463(10) 0.9686(12) 0.9942(11) 0.0301(12) Uani 0.50 d B 1 . U
H5B H 0.7534 0.9269 1.0240 0.036 Uiso 0.50 calc B 1 R .
C6 C 0.7117(4) 0.9330(4) 0.8964(4) 0.0239(11) Uani 1 d . . . .
C7 C 0.7096(4) 0.9989(4) 0.8546(4) 0.0236(11) Uani 1 d B . . .
H7 H 0.6926 0.9784 0.7903 0.028 Uiso 1 calc . . R .
C8 C 0.6808(4) 0.8296(4) 0.8335(4) 0.0231(11) Uani 1 d B . . .
C9 C 0.7290(4) 0.7699(4) 0.8551(4) 0.0256(12) Uani 1 d . . . .
C10 C 0.8277(4) 0.7907(4) 0.9372(4) 0.0241(12) Uani 1 d B . . .
C11 C 0.9097(5) 0.8840(4) 0.9903(5) 0.0349(15) Uani 1 d . . . .
H11 H 0.8996 0.9350 0.9758 0.042 Uiso 1 calc B . R .
C12 C 1.0082(5) 0.9009(4) 1.0661(4) 0.0362(16) Uani 1 d B . . .
H12 H 1.0618 0.9631 1.1016 0.043 Uiso 1 calc . . R .
C13 C 1.0243(4) 0.8262(4) 1.0871(4) 0.0282(13) Uani 1 d . . . .
H13 H 1.0892 0.8381 1.1367 0.034 Uiso 1 calc B . R .
C14 C 0.9461(4) 0.7335(4) 1.0361(4) 0.0230(11) Uani 1 d B . . .
C15 C 0.8468(4) 0.7160(4) 0.9614(4) 0.0225(11) Uani 1 d . . . .
H15 H 0.7933 0.6537 0.9277 0.027 Uiso 1 calc B . R .
C16 C 0.9648(4) 0.6489(4) 1.0507(4) 0.0226(11) Uani 1 d . . . .
C17 C 0.5587(4) 0.6617(4) 0.6861(4) 0.0255(12) Uani 1 d . . . .
C18 C 0.4717(4) 0.5830(4) 0.6062(4) 0.0253(12) Uani 1 d B . . .
C19 C 0.2896(4) 0.4625(4) 0.4585(4) 0.0247(12) Uani 1 d . . . .
C20 C 0.3372(4) 0.4055(4) 0.4818(4) 0.0252(12) Uani 1 d . . . .
C21 C 0.1804(4) 0.4336(4) 0.3806(4) 0.0239(12) Uani 1 d . . . .
C22 C 0.1646(4) 0.4643(4) 0.3074(4) 0.0188(10) Uani 1 d . . . .
H22 H 0.2209 0.5046 0.3091 0.023 Uiso 1 calc . . R .
C23 C 0.0611(4) 0.4331(4) 0.2301(4) 0.0223(11) Uani 1 d . . . .
C24 C -0.0205(4) 0.3736(4) 0.2288(4) 0.0267(12) Uani 1 d . . . .
H24 H -0.0880 0.3527 0.1779 0.032 Uiso 1 calc . . R .
C25 C -0.0043(5) 0.3444(5) 0.3011(5) 0.0359(15) Uani 1 d . . . .
H25 H -0.0607 0.3025 0.2980 0.043 Uiso 1 calc . . R .
C26 C 0.0964(5) 0.3769(4) 0.3801(4) 0.0291(13) Uani 1 d . . . .
H26 H 0.1066 0.3607 0.4315 0.035 Uiso 1 calc . . R .
C27 C 0.0486(4) 0.4667(4) 0.1533(4) 0.0239(12) Uani 1 d . . . .
C28 C 0.2984(4) 0.2978(4) 0.4316(4) 0.0271(12) Uani 1 d . . . .
C29 C 0.2098(5) 0.2376(5) 0.3392(4) 0.0338(15) Uani 1 d . . . .
H29 H 0.1695 0.2647 0.3052 0.041 Uiso 1 calc . . R .
C30 C 0.1823(5) 0.1400(5) 0.2987(5) 0.0419(17) Uani 1 d . . . .
H30 H 0.1215 0.1021 0.2381 0.050 Uiso 1 calc . . R .
C31 C 0.2372(5) 0.0945(4) 0.3406(5) 0.0344(14) Uani 1 d . . . .
H31 H 0.2151 0.0274 0.3102 0.041 Uiso 1 calc . . R .
C32 C 0.3308(4) 0.1533(4) 0.4334(4) 0.0244(11) Uani 1 d . . . .
C33 C 0.3590(4) 0.2530(4) 0.4770(4) 0.0260(12) Uani 1 d . . . .
H33 H 0.4195 0.2912 0.5378 0.031 Uiso 1 calc . . R .
C34 C 0.4015(4) 0.1125(4) 0.4802(4) 0.0264(12) Uani 1 d . . . .
C35 C 1.0485(5) 0.5279(5) 0.5333(5) 0.0401(16) Uani 1 d . . . .
C36 C 1.2341(6) 0.6139(6) 0.6893(5) 0.0432(17) Uani 1 d A . . .
C37 C 1.2312(5) 0.6774(5) 0.6501(5) 0.0393(16) Uani 1 d . . . .
C38 C 1.3186(6) 0.6227(7) 0.7806(6) 0.051(2) Uani 1 d . . . .
C39 C 1.2946(5) 0.6030(6) 0.8484(5) 0.0433(17) Uani 1 d A . . .
H39 H 1.2316 0.5986 0.8435 0.052 Uiso 1 d . . R .
C40A C 1.3656(10) 0.5908(10) 0.9202(9) 0.0353(15) Uani 0.566(12) d A 1 . U
C41A C 1.4835(15) 0.6535(16) 0.9631(15) 0.0517(16) Uani 0.434(12) d A 2 . U
H41A H 1.5366 0.6543 1.0170 0.062 Uiso 0.434(12) calc A 2 R .
C41B C 1.4638(12) 0.6038(12) 0.9347(11) 0.0517(16) Uani 0.566(12) d A 1 . U
H41B H 1.5123 0.5978 0.9863 0.062 Uiso 0.566(12) calc A 1 R .
C42A C 1.4994(15) 0.6768(16) 0.8994(14) 0.0518(15) Uani 0.434(12) d A 2 . U
H42A H 1.5673 0.6990 0.9128 0.062 Uiso 0.434(12) calc A 2 R .
C42B C 1.4864(12) 0.6257(13) 0.8712(11) 0.0518(15) Uani 0.566(12) d A 1 . U
H42B H 1.5530 0.6388 0.8820 0.062 Uiso 0.566(12) calc A 1 R .
C43A C 1.4250(16) 0.6712(16) 0.8161(15) 0.0516(16) Uani 0.434(12) d A 2 . U
H43A H 1.4447 0.7001 0.7816 0.062 Uiso 0.434(12) calc A 2 R .
C43B C 1.4128(12) 0.6288(12) 0.7907(11) 0.0515(16) Uani 0.566(12) d A 1 . U
H43B H 1.4269 0.6350 0.7435 0.062 Uiso 0.566(12) calc A 1 R .
C44A C 1.3366(12) 0.5747(10) 0.9923(11) 0.0352(15) Uani 0.566(12) d A 1 . U
C45 C 1.3080(5) 0.7769(5) 0.6904(5) 0.0353(15) Uani 1 d . . . .
C46 C 1.3571(6) 0.8403(7) 0.7891(5) 0.054(2) Uani 1 d . . . .
H46 H 1.3414 0.8193 0.8299 0.064 Uiso 1 calc . . R .
C47 C 1.4305(7) 0.9363(7) 0.8260(6) 0.066(3) Uani 1 d . . . .
H47 H 1.4644 0.9783 0.8916 0.079 Uiso 1 calc . . R .
C48 C 1.4518(5) 0.9677(6) 0.7646(5) 0.0493(19) Uani 1 d . . . .
H48 H 1.4996 1.0311 0.7893 0.059 Uiso 1 calc . . R .
C49 C 1.4033(4) 0.9064(5) 0.6674(4) 0.0279(13) Uani 1 d . . . .
C50 C 1.3320(5) 0.8116(5) 0.6293(4) 0.0301(13) Uani 1 d . . . .
H50 H 1.2997 0.7705 0.5636 0.036 Uiso 1 calc . . R .
C51 C 1.4309(5) 0.9419(5) 0.6034(4) 0.0297(13) Uani 1 d . . . .
C52 C 0.0214(9) -0.1775(10) 0.3123(10) 0.101(4) Uani 1 d . . . .
H52A H -0.0151 -0.1770 0.3464 0.152 Uiso 1 calc . . GR .
H52B H -0.0217 -0.1808 0.2497 0.152 Uiso 1 calc . . GR .
H52C H 0.0845 -0.1190 0.3490 0.152 Uiso 1 calc . . GR .
C53 C -0.0339(8) -0.3537(9) 0.2709(9) 0.101(4) Uani 1 d . . . .
H53A H -0.0120 -0.4052 0.2559 0.151 Uiso 1 calc . . GR .
H53B H -0.0970 -0.3665 0.2144 0.151 Uiso 1 calc . . GR .
H53C H -0.0459 -0.3504 0.3230 0.151 Uiso 1 calc . . GR .
C54 C 0.1333(5) -0.2550(6) 0.3117(5) 0.0447(17) Uani 1 d . . . .
H54 H 0.1446 -0.3115 0.3020 0.054 Uiso 1 calc . . R .
C55 C 0.3567(5) -0.3493(5) 0.2599(5) 0.0353(15) Uani 1 d . . . .
H55 H 0.4139 -0.3426 0.3147 0.042 Uiso 1 calc . . R .
O10B O 1.4227(11) 0.6002(12) 1.0813(10) 0.048(2) Uani 0.434(12) d A 2 . U
C44B C 1.3514(15) 0.6023(13) 1.0076(14) 0.0353(15) Uani 0.434(12) d A 2 . U
C40B C 1.3762(13) 0.6258(13) 0.9441(12) 0.0355(15) Uani 0.434(12) d A 2 . 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 O1 2.321(4) 2_777 ?
Dy1 O3 2.325(4) 2_767 ?
Dy1 O4 2.276(4) . ?
Dy1 O5 2.320(4) 1_656 ?
Dy1 O6 2.275(4) 2_666 ?
Dy1 O9 2.402(4) . ?
Dy1 O14 2.767(4) 1_666 ?
Dy1 O15 2.432(4) 1_666 ?
Dy1 C55 2.990(6) 1_666 ?
Dy2 O2 2.294(4) 2_666 ?
Dy2 O7 2.245(4) . ?
Dy2 O8 2.323(4) 2_656 ?
Dy2 O11 2.318(4) 1_445 ?
Dy2 O12 2.320(4) 2_766 ?
Dy2 O13 2.332(5) . ?
Dy2 O14 2.393(4) . ?
S1 C8 1.748(5) . ?
S1 C17 1.742(6) . ?
S2 C9 1.778(6) . ?
S2 C17 1.742(6) . ?
S3 C18 1.727(6) . ?
S3 C19 1.771(6) . ?
S4 C18 1.752(6) . ?
S4 C20 1.763(5) . ?
S5 C35 1.781(7) . ?
S5 C37 1.764(7) . ?
S6 C35 1.750(7) . ?
S6 C36 1.759(8) . ?
O1 Dy1 2.321(4) 2_777 ?
O1 C1 1.263(7) . ?
O2 Dy2 2.294(4) 2_666 ?
O2 C1 1.232(7) . ?
O3 Dy1 2.325(4) 2_767 ?
O3 C16 1.248(7) . ?
O4 C16 1.279(7) . ?
O5 Dy1 2.320(4) 1_454 ?
O5 C27 1.222(7) . ?
O6 Dy1 2.275(4) 2_666 ?
O6 C27 1.298(6) . ?
O7 C34 1.268(7) . ?
O8 Dy2 2.323(4) 2_656 ?
O8 C34 1.269(7) . ?
O9 C44A 1.215(16) . ?
O9 C44B 1.27(2) . ?
O10A C44A 1.320(18) . ?
O11 Dy2 2.318(4) 1_665 ?
O11 C51 1.268(8) . ?
O12 Dy2 2.320(4) 2_766 ?
O12 C51 1.240(7) . ?
O13 C54 1.268(9) . ?
O14 Dy1 2.767(4) 1_444 ?
O14 C55 1.256(8) . ?
O15 Dy1 2.432(4) 1_444 ?
O15 C55 1.274(8) . ?
N1 C52 1.451(13) . ?
N1 C53 1.449(11) . ?
N1 C54 1.250(9) . ?
C1 C2 1.522(7) . ?
C2 C3A 1.489(15) . ?
C2 C3B 1.375(15) . ?
C2 C7 1.391(8) . ?
C3A H3A 0.9300 . ?
C3A C4A 1.39(2) . ?
C3B H3B 0.9300 . ?
C3B C4B 1.37(2) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.38(2) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.38(2) . ?
C5A H5A 0.9300 . ?
C5A C6 1.450(16) . ?
C5B H5B 0.9300 . ?
C5B C6 1.380(16) . ?
C6 C7 1.402(7) . ?
C6 C8 1.487(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.370(8) . ?
C9 C10 1.448(7) . ?
C10 C11 1.404(7) . ?
C10 C15 1.401(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.420(8) . ?
C12 H12 0.9300 . ?
C12 C13 1.364(8) . ?
C13 H13 0.9300 . ?
C13 C14 1.377(7) . ?
C14 C15 1.420(7) . ?
C14 C16 1.488(7) . ?
C15 H15 0.9300 . ?
C17 C18 1.376(7) . ?
C19 C20 1.333(8) . ?
C19 C21 1.494(7) . ?
C20 C28 1.486(8) . ?
C21 C22 1.392(7) . ?
C21 C26 1.385(8) . ?
C22 H22 0.9300 . ?
C22 C23 1.425(7) . ?
C23 C24 1.367(8) . ?
C23 C27 1.484(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.365(8) . ?
C25 H25 0.9300 . ?
C25 C26 1.402(8) . ?
C26 H26 0.9300 . ?
C28 C29 1.398(7) . ?
C28 C33 1.409(8) . ?
C29 H29 0.9300 . ?
C29 C30 1.358(9) . ?
C30 H30 0.9300 . ?
C30 C31 1.345(9) . ?
C31 H31 0.9300 . ?
C31 C32 1.429(8) . ?
C32 C33 1.390(8) . ?
C32 C34 1.462(8) . ?
C33 H33 0.9300 . ?
C35 C35 1.299(14) 2_766 ?
C36 C37 1.340(9) . ?
C36 C38 1.485(10) . ?
C37 C45 1.463(9) . ?
C38 C39 1.424(9) . ?
C38 C43A 1.41(2) . ?
C38 C43B 1.377(17) . ?
C39 H39 0.9300 . ?
C39 C40A 1.352(14) . ?
C39 C40B 1.440(18) . ?
C40A C41B 1.39(2) . ?
C40A C44A 1.52(2) . ?
C41A H41A 0.9300 . ?
C41A C42A 1.32(3) . ?
C41A C40B 1.48(3) . ?
C41B H41B 0.9300 . ?
C41B C42B 1.36(2) . ?
C42A H42A 0.9300 . ?
C42A C43A 1.35(3) . ?
C42B H42B 0.9300 . ?
C42B C43B 1.38(2) . ?
C43A H43A 0.9300 . ?
C43B H43B 0.9300 . ?
C45 C46 1.402(10) . ?
C45 C50 1.423(8) . ?
C46 H46 0.9300 . ?
C46 C47 1.415(11) . ?
C47 H47 0.9300 . ?
C47 C48 1.381(11) . ?
C48 H48 0.9300 . ?
C48 C49 1.377(9) . ?
C49 C50 1.386(8) . ?
C49 C51 1.502(8) . ?
C50 H50 0.9300 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54 0.9300 . ?
C55 Dy1 2.990(6) 1_444 ?
C55 H55 0.9300 . ?
O10B C44B 1.29(2) . ?
C44B C40B 1.39(3) . ?

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
O1 Dy1 O3 143.84(15) 2_777 2_767 ?
O1 Dy1 O9 71.94(15) 2_777 . ?
O1 Dy1 O14 74.36(14) 2_777 1_666 ?
O1 Dy1 O15 95.85(16) 2_777 1_666 ?
O1 Dy1 C55 85.95(17) 2_777 1_666 ?
O3 Dy1 O9 73.29(15) 2_767 . ?
O3 Dy1 O14 125.89(13) 2_767 1_666 ?
O3 Dy1 O15 82.74(14) 2_767 1_666 ?
O3 Dy1 C55 103.91(15) 2_767 1_666 ?
O4 Dy1 O1 82.43(15) . 2_777 ?
O4 Dy1 O3 123.91(15) . 2_767 ?
O4 Dy1 O5 77.02(15) . 1_656 ?
O4 Dy1 O9 145.79(15) . . ?
O4 Dy1 O14 87.01(14) . 1_666 ?
O4 Dy1 O15 134.07(15) . 1_666 ?
O4 Dy1 C55 110.48(17) . 1_666 ?
O5 Dy1 O1 138.91(16) 1_656 2_777 ?
O5 Dy1 O3 75.77(16) 1_656 2_767 ?
O5 Dy1 O9 136.98(16) 1_656 . ?
O5 Dy1 O14 69.42(14) 1_656 1_666 ?
O5 Dy1 O15 74.83(15) 1_656 1_666 ?
O5 Dy1 C55 68.99(17) 1_656 1_666 ?
O6 Dy1 O1 84.17(16) 2_666 2_777 ?
O6 Dy1 O3 79.68(15) 2_666 2_767 ?
O6 Dy1 O4 76.37(17) 2_666 . ?
O6 Dy1 O5 123.79(17) 2_666 1_656 ?
O6 Dy1 O9 78.78(17) 2_666 . ?
O6 Dy1 O14 154.43(15) 2_666 1_666 ?
O6 Dy1 O15 149.42(17) 2_666 1_666 ?
O6 Dy1 C55 167.12(19) 2_666 1_666 ?
O9 Dy1 O14 106.75(14) . 1_666 ?
O9 Dy1 O15 72.28(15) . 1_666 ?
O9 Dy1 C55 90.31(18) . 1_666 ?
O14 Dy1 C55 24.80(15) 1_666 1_666 ?
O15 Dy1 O14 49.26(14) 1_666 1_666 ?
O15 Dy1 C55 24.52(17) 1_666 1_666 ?
O2 Dy2 O8 129.52(18) 2_666 2_656 ?
O2 Dy2 O11 151.20(17) 2_666 1_445 ?
O2 Dy2 O12 76.50(16) 2_666 2_766 ?
O2 Dy2 O13 76.37(18) 2_666 . ?
O2 Dy2 O14 76.69(15) 2_666 . ?
O7 Dy2 O2 88.39(16) . 2_666 ?
O7 Dy2 O8 125.83(15) . 2_656 ?
O7 Dy2 O11 80.47(16) . 1_445 ?
O7 Dy2 O12 78.67(17) . 2_766 ?
O7 Dy2 O13 82.82(18) . . ?
O7 Dy2 O14 158.94(16) . . ?
O8 Dy2 O13 136.14(18) 2_656 . ?
O8 Dy2 O14 75.18(15) 2_656 . ?
O11 Dy2 O8 77.39(17) 1_445 2_656 ?
O11 Dy2 O12 126.19(16) 1_445 2_766 ?
O11 Dy2 O13 75.94(18) 1_445 . ?
O11 Dy2 O14 105.62(16) 1_445 . ?
O12 Dy2 O8 76.01(16) 2_766 2_656 ?
O12 Dy2 O13 147.39(18) 2_766 . ?
O12 Dy2 O14 111.40(17) 2_766 . ?
O13 Dy2 O14 79.29(18) . . ?
C17 S1 C8 95.3(3) . . ?
C17 S2 C9 95.3(3) . . ?
C18 S3 C19 94.8(3) . . ?
C18 S4 C20 95.2(3) . . ?
C37 S5 C35 95.9(3) . . ?
C35 S6 C36 96.1(3) . . ?
C1 O1 Dy1 136.2(4) . 2_777 ?
C1 O2 Dy2 146.5(4) . 2_666 ?
C16 O3 Dy1 138.9(4) . 2_767 ?
C16 O4 Dy1 136.3(4) . . ?
C27 O5 Dy1 137.4(4) . 1_454 ?
C27 O6 Dy1 153.5(4) . 2_666 ?
C34 O7 Dy2 169.1(4) . . ?
C34 O8 Dy2 121.7(4) . 2_656 ?
C44A O9 Dy1 147.1(8) . . ?
C44A O9 C44B 17.5(11) . . ?
C44B O9 Dy1 140.2(9) . . ?
C51 O11 Dy2 138.0(4) . 1_665 ?
C51 O12 Dy2 140.6(5) . 2_766 ?
C54 O13 Dy2 139.6(5) . . ?
Dy2 O14 Dy1 132.84(18) . 1_444 ?
C55 O14 Dy1 87.6(4) . 1_444 ?
C55 O14 Dy2 131.6(4) . . ?
C55 O15 Dy1 103.1(4) . 1_444 ?
C53 N1 C52 117.3(8) . . ?
C54 N1 C52 121.0(8) . . ?
C54 N1 C53 121.7(9) . . ?
O1 C1 C2 117.3(5) . . ?
O2 C1 O1 125.7(5) . . ?
O2 C1 C2 116.9(5) . . ?
C3A C2 C1 120.6(8) . . ?
C3B C2 C1 121.2(8) . . ?
C3B C2 C3A 16.6(7) . . ?
C3B C2 C7 120.2(8) . . ?
C7 C2 C1 118.0(5) . . ?
C7 C2 C3A 120.5(8) . . ?
C2 C3A H3A 121.9 . . ?
C4A C3A C2 116.2(13) . . ?
C4A C3A H3A 121.9 . . ?
C2 C3B H3B 119.8 . . ?
C4B C3B C2 120.4(13) . . ?
C4B C3B H3B 119.8 . . ?
C3A C4A H4A 117.8 . . ?
C5A C4A C3A 124.4(14) . . ?
C5A C4A H4A 117.8 . . ?
C3B C4B H4B 120.6 . . ?
C3B C4B C5B 118.8(14) . . ?
C5B C4B H4B 120.6 . . ?
C4A C5A H5A 121.1 . . ?
C4A C5A C6 117.9(13) . . ?
C6 C5A H5A 121.1 . . ?
C4B C5B H5B 119.0 . . ?
C6 C5B C4B 122.0(13) . . ?
C6 C5B H5B 119.0 . . ?
C5A C6 C8 119.8(8) . . ?
C5B C6 C5A 15.2(8) . . ?
C5B C6 C7 118.1(8) . . ?
C5B C6 C8 123.7(8) . . ?
C7 C6 C5A 120.5(8) . . ?
C7 C6 C8 118.1(5) . . ?
C2 C7 C6 119.6(5) . . ?
C2 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C6 C8 S1 114.5(4) . . ?
C9 C8 S1 117.5(4) . . ?
C9 C8 C6 128.0(5) . . ?
C8 C9 S2 115.3(4) . . ?
C8 C9 C10 130.9(5) . . ?
C10 C9 S2 113.5(4) . . ?
C11 C10 C9 121.4(5) . . ?
C15 C10 C9 120.6(5) . . ?
C15 C10 C11 117.8(5) . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(5) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.3(5) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.4 . . ?
C12 C13 C14 121.2(5) . . ?
C14 C13 H13 119.4 . . ?
C13 C14 C15 119.1(5) . . ?
C13 C14 C16 122.1(5) . . ?
C15 C14 C16 118.6(5) . . ?
C10 C15 C14 121.2(5) . . ?
C10 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
O3 C16 O4 125.1(5) . . ?
O3 C16 C14 118.5(5) . . ?
O4 C16 C14 116.4(5) . . ?
S1 C17 S2 114.9(3) . . ?
C18 C17 S1 123.0(4) . . ?
C18 C17 S2 122.1(4) . . ?
S3 C18 S4 115.5(3) . . ?
C17 C18 S3 124.5(4) . . ?
C17 C18 S4 120.0(4) . . ?
C20 C19 S3 117.8(4) . . ?
C20 C19 C21 128.7(5) . . ?
C21 C19 S3 113.5(4) . . ?
C19 C20 S4 116.4(4) . . ?
C19 C20 C28 128.8(5) . . ?
C28 C20 S4 114.5(4) . . ?
C22 C21 C19 118.5(5) . . ?
C26 C21 C19 121.1(5) . . ?
C26 C21 C22 120.4(5) . . ?
C21 C22 H22 120.5 . . ?
C21 C22 C23 119.1(5) . . ?
C23 C22 H22 120.5 . . ?
C22 C23 C27 116.9(5) . . ?
C24 C23 C22 119.5(5) . . ?
C24 C23 C27 123.5(5) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 C23 121.0(5) . . ?
C25 C24 H24 119.5 . . ?
C24 C25 H25 119.6 . . ?
C24 C25 C26 120.8(6) . . ?
C26 C25 H25 119.6 . . ?
C21 C26 C25 119.0(5) . . ?
C21 C26 H26 120.5 . . ?
C25 C26 H26 120.5 . . ?
O5 C27 O6 124.9(5) . . ?
O5 C27 C23 119.3(5) . . ?
O6 C27 C23 115.8(5) . . ?
C29 C28 C20 125.0(5) . . ?
C29 C28 C33 116.9(5) . . ?
C33 C28 C20 117.9(5) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.5(5) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 117.9 . . ?
C31 C30 C29 124.2(6) . . ?
C31 C30 H30 117.9 . . ?
C30 C31 H31 121.2 . . ?
C30 C31 C32 117.6(6) . . ?
C32 C31 H31 121.2 . . ?
C31 C32 C34 121.7(5) . . ?
C33 C32 C31 119.0(5) . . ?
C33 C32 C34 119.1(5) . . ?
C28 C33 H33 119.1 . . ?
C32 C33 C28 121.8(5) . . ?
C32 C33 H33 119.1 . . ?
O7 C34 O8 121.7(5) . . ?
O7 C34 C32 119.7(5) . . ?
O8 C34 C32 118.5(5) . . ?
S6 C35 S5 112.7(4) . . ?
C35 C35 S5 122.7(7) 2_766 . ?
C35 C35 S6 124.5(7) 2_766 . ?
C37 C36 S6 117.8(6) . . ?
C37 C36 C38 129.4(7) . . ?
C38 C36 S6 112.7(5) . . ?
C36 C37 S5 116.2(5) . . ?
C36 C37 C45 128.6(7) . . ?
C45 C37 S5 115.2(5) . . ?
C39 C38 C36 119.2(6) . . ?
C43A C38 C36 123.5(10) . . ?
C43A C38 C39 115.6(10) . . ?
C43B C38 C36 120.4(9) . . ?
C43B C38 C39 119.0(9) . . ?
C43B C38 C43A 25.3(9) . . ?
C38 C39 H39 120.8 . . ?
C38 C39 C40B 120.7(9) . . ?
C40A C39 C38 118.4(8) . . ?
C40A C39 H39 120.8 . . ?
C40A C39 C40B 21.0(8) . . ?
C40B C39 H39 114.4 . . ?
C39 C40A C41B 122.8(12) . . ?
C39 C40A C44A 115.3(11) . . ?
C41B C40A C44A 121.5(13) . . ?
C42A C41A H41A 121.9 . . ?
C42A C41A C40B 116.2(18) . . ?
C40B C41A H41A 121.9 . . ?
C40A C41B H41B 121.1 . . ?
C42B C41B C40A 117.9(14) . . ?
C42B C41B H41B 121.1 . . ?
C41A C42A H42A 117.3 . . ?
C41A C42A C43A 125(2) . . ?
C43A C42A H42A 117.3 . . ?
C41B C42B H42B 119.2 . . ?
C41B C42B C43B 121.6(15) . . ?
C43B C42B H42B 119.2 . . ?
C38 C43A H43A 119.2 . . ?
C42A C43A C38 121.5(17) . . ?
C42A C43A H43A 119.2 . . ?
C38 C43B C42B 119.9(13) . . ?
C38 C43B H43B 120.1 . . ?
C42B C43B H43B 120.1 . . ?
O9 C44A O10A 119.9(13) . . ?
O9 C44A C40A 121.6(13) . . ?
O10A C44A C40A 118.4(13) . . ?
C46 C45 C37 120.7(6) . . ?
C46 C45 C50 118.9(6) . . ?
C50 C45 C37 120.3(6) . . ?
C45 C46 H46 120.2 . . ?
C45 C46 C47 119.5(6) . . ?
C47 C46 H46 120.2 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 C46 120.0(7) . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 119.5 . . ?
C49 C48 C47 121.0(7) . . ?
C49 C48 H48 119.5 . . ?
C48 C49 C50 120.3(6) . . ?
C48 C49 C51 119.6(6) . . ?
C50 C49 C51 120.1(5) . . ?
C45 C50 H50 119.9 . . ?
C49 C50 C45 120.2(6) . . ?
C49 C50 H50 119.9 . . ?
O11 C51 C49 116.4(5) . . ?
O12 C51 O11 125.3(5) . . ?
O12 C51 C49 118.3(6) . . ?
N1 C52 H52A 109.5 . . ?
N1 C52 H52B 109.5 . . ?
N1 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N1 C53 H53A 109.5 . . ?
N1 C53 H53B 109.5 . . ?
N1 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O13 C54 H54 117.1 . . ?
N1 C54 O13 125.7(8) . . ?
N1 C54 H54 117.1 . . ?
Dy1 C55 H55 171.0 1_444 . ?
O14 C55 Dy1 67.6(3) . 1_444 ?
O14 C55 O15 119.7(5) . . ?
O14 C55 H55 120.1 . . ?
O15 C55 Dy1 52.4(3) . 1_444 ?
O15 C55 H55 120.1 . . ?
O9 C44B O10B 122.4(17) . . ?
O9 C44B C40B 119.2(17) . . ?
O10B C44B C40B 118.3(18) . . ?
C39 C40B C41A 117.6(14) . . ?
C44B C40B C39 119.9(15) . . ?
C44B C40B C41A 121.1(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 O2 -33.9(9) 2_777 . . . ?
Dy1 O1 C1 C2 145.3(4) 2_777 . . . ?
Dy1 O3 C16 O4 -43.0(9) 2_767 . . . ?
Dy1 O3 C16 C14 135.9(5) 2_767 . . . ?
Dy1 O4 C16 O3 58.5(8) . . . . ?
Dy1 O4 C16 C14 -120.4(5) . . . . ?
Dy1 O5 C27 O6 -9.1(10) 1_454 . . . ?
Dy1 O5 C27 C23 171.6(4) 1_454 . . . ?
Dy1 O6 C27 O5 6.7(14) 2_666 . . . ?
Dy1 O6 C27 C23 -174.0(7) 2_666 . . . ?
Dy1 O9 C44A O10A 15(2) . . . . ?
Dy1 O9 C44A C40A -163.9(8) . . . . ?
Dy1 O9 C44B O10B 37(3) . . . . ?
Dy1 O9 C44B C40B -146.0(11) . . . . ?
Dy1 O14 C55 O15 5.2(6) 1_444 . . . ?
Dy1 O15 C55 O14 -6.1(7) 1_444 . . . ?
Dy2 O2 C1 O1 -43.2(10) 2_666 . . . ?
Dy2 O2 C1 C2 137.6(6) 2_666 . . . ?
Dy2 O7 C34 O8 -29(3) . . . . ?
Dy2 O7 C34 C32 147.4(19) . . . . ?
Dy2 O8 C34 O7 12.2(8) 2_656 . . . ?
Dy2 O8 C34 C32 -164.7(4) 2_656 . . . ?
Dy2 O11 C51 O12 -10.1(11) 1_665 . . . ?
Dy2 O11 C51 C49 172.1(4) 1_665 . . . ?
Dy2 O12 C51 O11 -29.7(11) 2_766 . . . ?
Dy2 O12 C51 C49 148.0(5) 2_766 . . . ?
Dy2 O13 C54 N1 176.1(5) . . . . ?
Dy2 O14 C55 Dy1 -150.8(5) . . . 1_444 ?
Dy2 O14 C55 O15 -145.6(5) . . . . ?
S1 C8 C9 S2 -1.8(7) . . . . ?
S1 C8 C9 C10 171.1(5) . . . . ?
S1 C17 C18 S3 -0.5(8) . . . . ?
S1 C17 C18 S4 179.6(3) . . . . ?
S2 C9 C10 C11 146.8(5) . . . . ?
S2 C9 C10 C15 -28.2(7) . . . . ?
S2 C17 C18 S3 -179.4(3) . . . . ?
S2 C17 C18 S4 0.7(8) . . . . ?
S3 C19 C20 S4 -0.5(7) . . . . ?
S3 C19 C20 C28 -174.5(5) . . . . ?
S3 C19 C21 C22 61.3(6) . . . . ?
S3 C19 C21 C26 -119.2(5) . . . . ?
S4 C20 C28 C29 -162.2(5) . . . . ?
S4 C20 C28 C33 13.0(7) . . . . ?
S5 C37 C45 C46 136.9(7) . . . . ?
S5 C37 C45 C50 -41.4(8) . . . . ?
S6 C36 C37 S5 -1.3(9) . . . . ?
S6 C36 C37 C45 176.9(6) . . . . ?
S6 C36 C38 C39 -52.4(10) . . . . ?
S6 C36 C38 C43A 143.4(13) . . . . ?
S6 C36 C38 C43B 113.7(11) . . . . ?
O1 Dy1 O4 C16 113.7(5) 2_777 . . . ?
O1 Dy1 O9 C44A 98.7(13) 2_777 . . . ?
O1 Dy1 O9 C44B 71.3(14) 2_777 . . . ?
O1 C1 C2 C3A 10.0(9) . . . . ?
O1 C1 C2 C3B -9.4(10) . . . . ?
O1 C1 C2 C7 179.3(5) . . . . ?
O2 Dy2 O7 C34 -120(2) 2_666 . . . ?
O2 Dy2 O13 C54 106.8(8) 2_666 . . . ?
O2 Dy2 O14 Dy1 -12.4(2) 2_666 . . 1_444 ?
O2 Dy2 O14 C55 125.9(6) 2_666 . . . ?
O2 C1 C2 C3A -170.7(7) . . . . ?
O2 C1 C2 C3B 169.9(8) . . . . ?
O2 C1 C2 C7 -1.4(8) . . . . ?
O3 Dy1 O4 C16 -39.5(6) 2_767 . . . ?
O3 Dy1 O9 C44A -91.3(13) 2_767 . . . ?
O3 Dy1 O9 C44B -118.8(15) 2_767 . . . ?
O4 Dy1 O9 C44A 142.2(13) . . . . ?
O4 Dy1 O9 C44B 114.7(14) . . . . ?
O5 Dy1 O4 C16 -102.2(5) 1_656 . . . ?
O5 Dy1 O9 C44A -45.6(14) 1_656 . . . ?
O5 Dy1 O9 C44B -73.0(15) 1_656 . . . ?
O6 Dy1 O4 C16 27.9(5) 2_666 . . . ?
O6 Dy1 O9 C44A -173.8(13) 2_666 . . . ?
O6 Dy1 O9 C44B 158.8(15) 2_666 . . . ?
O7 Dy2 O13 C54 -163.1(8) . . . . ?
O7 Dy2 O14 Dy1 33.5(6) . . . 1_444 ?
O7 Dy2 O14 C55 171.9(6) . . . . ?
O8 Dy2 O7 C34 20(2) 2_656 . . . ?
O8 Dy2 O13 C54 -27.0(9) 2_656 . . . ?
O8 Dy2 O14 Dy1 -150.1(3) 2_656 . . 1_444 ?
O8 Dy2 O14 C55 -11.7(6) 2_656 . . . ?
O9 Dy1 O4 C16 72.4(6) . . . . ?
O9 C44B C40B C39 -15(2) . . . . ?
O9 C44B C40B C41A 179.2(16) . . . . ?
O11 Dy2 O7 C34 87(2) 1_445 . . . ?
O11 Dy2 O13 C54 -81.2(8) 1_445 . . . ?
O11 Dy2 O14 Dy1 137.9(2) 1_445 . . 1_444 ?
O11 Dy2 O14 C55 -83.7(6) 1_445 . . . ?
O12 Dy2 O7 C34 -43(2) 2_766 . . . ?
O12 Dy2 O13 C54 141.3(7) 2_766 . . . ?
O12 Dy2 O14 Dy1 -81.9(3) 2_766 . . 1_444 ?
O12 Dy2 O14 C55 56.4(6) 2_766 . . . ?
O13 Dy2 O7 C34 164(2) . . . . ?
O13 Dy2 O14 Dy1 65.9(3) . . . 1_444 ?
O13 Dy2 O14 C55 -155.7(6) . . . . ?
O14 Dy1 O4 C16 -171.7(5) 1_666 . . . ?
O14 Dy1 O9 C44A 31.9(13) 1_666 . . . ?
O14 Dy1 O9 C44B 4.5(15) 1_666 . . . ?
O14 Dy2 O7 C34 -164(2) . . . . ?
O14 Dy2 O13 C54 28.1(7) . . . . ?
O15 Dy1 O4 C16 -155.5(5) 1_666 . . . ?
O15 Dy1 O9 C44A -3.8(13) 1_666 . . . ?
O15 Dy1 O9 C44B -31.2(14) 1_666 . . . ?
C1 C2 C3A C4A 176.2(8) . . . . ?
C1 C2 C3B C4B 179.1(9) . . . . ?
C1 C2 C7 C6 179.4(5) . . . . ?
C2 C3A C4A C5A -3.5(18) . . . . ?
C2 C3B C4B C5B 9.0(18) . . . . ?
C3A C2 C3B C4B 86(4) . . . . ?
C3A C2 C7 C6 -11.3(10) . . . . ?
C3A C4A C5A C6 3.8(18) . . . . ?
C3B C2 C3A C4A -87(4) . . . . ?
C3B C2 C7 C6 8.0(10) . . . . ?
C3B C4B C5B C6 -6.8(18) . . . . ?
C4A C5A C6 C5B 78(5) . . . . ?
C4A C5A C6 C7 -7.7(14) . . . . ?
C4A C5A C6 C8 -172.8(9) . . . . ?
C4B C5B C6 C5A -98(5) . . . . ?
C4B C5B C6 C7 5.1(15) . . . . ?
C4B C5B C6 C8 -177.6(9) . . . . ?
C5A C6 C7 C2 11.6(10) . . . . ?
C5A C6 C8 S1 121.5(7) . . . . ?
C5A C6 C8 C9 -59.1(10) . . . . ?
C5B C6 C7 C2 -5.6(10) . . . . ?
C5B C6 C8 S1 138.8(8) . . . . ?
C5B C6 C8 C9 -41.9(11) . . . . ?
C6 C8 C9 S2 178.8(5) . . . . ?
C6 C8 C9 C10 -8.3(11) . . . . ?
C7 C2 C3A C4A 7.2(14) . . . . ?
C7 C2 C3B C4B -9.8(15) . . . . ?
C7 C6 C8 S1 -43.9(7) . . . . ?
C7 C6 C8 C9 135.5(6) . . . . ?
C8 S1 C17 S2 -13.1(4) . . . . ?
C8 S1 C17 C18 167.9(5) . . . . ?
C8 C6 C7 C2 176.9(5) . . . . ?
C8 C9 C10 C11 -26.3(11) . . . . ?
C8 C9 C10 C15 158.8(6) . . . . ?
C9 S2 C17 S1 12.4(4) . . . . ?
C9 S2 C17 C18 -168.7(5) . . . . ?
C9 C10 C11 C12 -175.4(6) . . . . ?
C9 C10 C15 C14 174.3(5) . . . . ?
C10 C11 C12 C13 0.9(11) . . . . ?
C11 C10 C15 C14 -0.8(9) . . . . ?
C11 C12 C13 C14 -0.3(11) . . . . ?
C12 C13 C14 C15 -0.8(10) . . . . ?
C12 C13 C14 C16 173.6(6) . . . . ?
C13 C14 C15 C10 1.4(9) . . . . ?
C13 C14 C16 O3 168.6(6) . . . . ?
C13 C14 C16 O4 -12.4(8) . . . . ?
C15 C10 C11 C12 -0.4(10) . . . . ?
C15 C14 C16 O3 -16.9(8) . . . . ?
C15 C14 C16 O4 162.1(5) . . . . ?
C16 C14 C15 C10 -173.2(5) . . . . ?
C17 S1 C8 C6 -171.6(4) . . . . ?
C17 S1 C8 C9 9.0(5) . . . . ?
C17 S2 C9 C8 -6.3(5) . . . . ?
C17 S2 C9 C10 179.5(5) . . . . ?
C18 S3 C19 C20 -2.8(6) . . . . ?
C18 S3 C19 C21 176.7(5) . . . . ?
C18 S4 C20 C19 3.5(5) . . . . ?
C18 S4 C20 C28 178.3(5) . . . . ?
C19 S3 C18 S4 5.1(4) . . . . ?
C19 S3 C18 C17 -174.8(6) . . . . ?
C19 C20 C28 C29 12.0(11) . . . . ?
C19 C20 C28 C33 -172.8(6) . . . . ?
C19 C21 C22 C23 176.9(5) . . . . ?
C19 C21 C26 C25 -174.4(6) . . . . ?
C20 S4 C18 S3 -5.4(4) . . . . ?
C20 S4 C18 C17 174.5(5) . . . . ?
C20 C19 C21 C22 -119.2(7) . . . . ?
C20 C19 C21 C26 60.3(9) . . . . ?
C20 C28 C29 C30 178.4(7) . . . . ?
C20 C28 C33 C32 -177.4(6) . . . . ?
C21 C19 C20 S4 -180.0(5) . . . . ?
C21 C19 C20 C28 6.0(11) . . . . ?
C21 C22 C23 C24 -0.3(8) . . . . ?
C21 C22 C23 C27 -179.2(5) . . . . ?
C22 C21 C26 C25 5.0(9) . . . . ?
C22 C23 C24 C25 0.7(9) . . . . ?
C22 C23 C27 O5 -7.5(8) . . . . ?
C22 C23 C27 O6 173.1(5) . . . . ?
C23 C24 C25 C26 1.8(10) . . . . ?
C24 C23 C27 O5 173.7(6) . . . . ?
C24 C23 C27 O6 -5.7(9) . . . . ?
C24 C25 C26 C21 -4.6(10) . . . . ?
C26 C21 C22 C23 -2.6(8) . . . . ?
C27 C23 C24 C25 179.5(6) . . . . ?
C28 C29 C30 C31 -2.3(12) . . . . ?
C29 C28 C33 C32 -1.8(9) . . . . ?
C29 C30 C31 C32 -0.3(11) . . . . ?
C30 C31 C32 C33 1.7(9) . . . . ?
C30 C31 C32 C34 -173.5(6) . . . . ?
C31 C32 C33 C28 -0.6(9) . . . . ?
C31 C32 C34 O7 2.2(9) . . . . ?
C31 C32 C34 O8 179.1(6) . . . . ?
C33 C28 C29 C30 3.2(10) . . . . ?
C33 C32 C34 O7 -173.0(6) . . . . ?
C33 C32 C34 O8 3.9(8) . . . . ?
C34 C32 C33 C28 174.7(6) . . . . ?
C35 S5 C37 C36 7.5(7) . . . . ?
C35 S5 C37 C45 -170.9(5) . . . . ?
C35 S6 C36 C37 -5.7(7) . . . . ?
C35 S6 C36 C38 176.1(6) . . . . ?
C36 S6 C35 S5 10.4(5) . . . . ?
C36 S6 C35 C35 -173.2(9) . . . 2_766 ?
C36 C37 C45 C46 -41.4(12) . . . . ?
C36 C37 C45 C50 140.4(8) . . . . ?
C36 C38 C39 C40A 166.1(9) . . . . ?
C36 C38 C39 C40B -169.8(11) . . . . ?
C36 C38 C43A C42A -179.6(15) . . . . ?
C36 C38 C43B C42B -172.6(11) . . . . ?
C37 S5 C35 S6 -11.0(5) . . . . ?
C37 S5 C35 C35 172.5(9) . . . 2_766 ?
C37 C36 C38 C39 129.7(9) . . . . ?
C37 C36 C38 C43A -34.5(17) . . . . ?
C37 C36 C38 C43B -64.2(15) . . . . ?
C37 C45 C46 C47 -179.5(8) . . . . ?
C37 C45 C50 C49 178.8(6) . . . . ?
C38 C36 C37 S5 176.5(6) . . . . ?
C38 C36 C37 C45 -5.3(14) . . . . ?
C38 C39 C40A C41B 4.9(17) . . . . ?
C38 C39 C40A C44A 177.3(9) . . . . ?
C38 C39 C40B C41A -11(2) . . . . ?
C38 C39 C40B C44B -177.2(13) . . . . ?
C39 C38 C43A C42A 16(2) . . . . ?
C39 C38 C43B C42B -6.5(19) . . . . ?
C39 C40A C41B C42B -3(2) . . . . ?
C39 C40A C44A O9 -5.3(17) . . . . ?
C39 C40A C44A O10A 176.0(11) . . . . ?
C40A C39 C40B C41A 79(3) . . . . ?
C40A C39 C40B C44B -88(3) . . . . ?
C40A C41B C42B C43B -4(2) . . . . ?
C41A C42A C43A C38 -12(3) . . . . ?
C41B C40A C44A O9 167.2(13) . . . . ?
C41B C40A C44A O10A -11.5(19) . . . . ?
C41B C42B C43B C38 9(2) . . . . ?
C42A C41A C40B C39 15(3) . . . . ?
C42A C41A C40B C44B -178.3(18) . . . . ?
C43A C38 C39 C40A -28.5(15) . . . . ?
C43A C38 C39 C40B -4.4(16) . . . . ?
C43A C38 C43B C42B 83(3) . . . . ?
C43B C38 C39 C40A -0.2(15) . . . . ?
C43B C38 C39 C40B 23.9(16) . . . . ?
C43B C38 C43A C42A -88(3) . . . . ?
C44A O9 C44B O10B -87(5) . . . . ?
C44A O9 C44B C40B 90(5) . . . . ?
C44A C40A C41B C42B -174.8(13) . . . . ?
C45 C46 C47 C48 1.4(14) . . . . ?
C46 C45 C50 C49 0.5(10) . . . . ?
C46 C47 C48 C49 -0.7(14) . . . . ?
C47 C48 C49 C50 -0.1(12) . . . . ?
C47 C48 C49 C51 -178.0(7) . . . . ?
C48 C49 C50 C45 0.2(10) . . . . ?
C48 C49 C51 O11 173.4(6) . . . . ?
C48 C49 C51 O12 -4.5(9) . . . . ?
C50 C45 C46 C47 -1.3(12) . . . . ?
C50 C49 C51 O11 -4.4(9) . . . . ?
C50 C49 C51 O12 177.7(6) . . . . ?
C51 C49 C50 C45 178.1(6) . . . . ?
C52 N1 C54 O13 0.7(13) . . . . ?
C53 N1 C54 O13 179.2(8) . . . . ?
C55 Dy1 O4 C16 -163.6(5) 1_666 . . . ?
C55 Dy1 O9 C44A 13.1(13) 1_666 . . . ?
C55 Dy1 O9 C44B -14.3(14) 1_666 . . . ?
O10B C44B C40B C39 162.7(15) . . . . ?
O10B C44B C40B C41A -4(3) . . . . ?
C44B O9 C44A O10A 93(5) . . . . ?
C44B O9 C44A C40A -85(5) . . . . ?
C40B C39 C40A C41B -97(3) . . . . ?
C40B C39 C40A C44A 75(3) . . . . ?
C40B C41A C42A C43A -5(3) . . . . ?


# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 0.000 0.000 0.500 791 165 ' '
2 0.008 0.187 0.136 13 1 ' '
3 -0.008 0.813 0.864 13 1 ' '
_platon_squeeze_details          ?


_olex2_submission_special_instructions 'No special instructions were received'
