# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2521957'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2026-01-12 deposited with the CCDC.	2026-03-02 downloaded from the CCDC.
;
_audit_creation_date             2026-01-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C108 H104 Dy8 N40 O44'
_chemical_formula_sum            'C108 H104 Dy8 N40 O44'
_chemical_formula_weight         3966.31
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNODy
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.5183(10)
_cell_length_b                   18.0719(2)
_cell_length_c                   31.6045(9)
_cell_angle_alpha                90
_cell_angle_beta                 126.481(4)
_cell_angle_gamma                90
_cell_volume                     14933.6(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    18097
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      73.4340
_cell_measurement_theta_min      3.8760
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    21.741
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49177
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.75a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear brown'
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7648
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            39305
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        59.993
_diffrn_reflns_theta_max         59.993
_diffrn_reflns_theta_min         3.735
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     59.00  90.00   0.50    0.40    --  108.87 -95.00 150.00   62
  2  ω     36.00  79.00   0.50    0.40    --  108.87-125.00  90.00   86
  3  ω     34.00  60.00   0.50    0.40    --  108.87 -95.00   0.00   52
  4  ω     65.00  91.00   0.50    0.40    --  108.87 -95.00   0.00   52
  5  ω     41.00  67.00   0.50    0.40    --  108.87 -95.00 -90.00   52
  6  ω     44.00  69.00   0.50    0.40    --  108.87 -77.00 -90.00   50
  7  ω     40.00  70.00   0.50    0.40    --  108.87 -77.00-150.00   60
  8  ω     38.00  70.00   0.50    0.40    --  108.87 -77.00-180.00   64
  9  ω     38.00  64.00   0.50    0.40    --  108.87 -77.00-120.00   52
 10  ω     40.00  67.00   0.50    0.40    --  108.87 -77.00  60.00   54
 11  ω     45.00  71.00   0.50    0.40    --  108.87 -77.00  90.00   52
 12  ω     34.00  68.00   0.50    0.40    --  108.87 -77.00 120.00   68
 13  ω     87.00 125.00   0.50    0.40    --  108.87  15.00 150.00   76
 14  ω    100.00 130.00   0.50    0.40    --  108.87  77.00  60.00   60
 15  ω    136.00 174.00   0.50    0.40    --  108.87  77.00  60.00   76
 16  ω    107.00 168.00   0.50    0.40    --  108.87  77.00 -30.00  122
 17  ω     90.00 152.00   0.50    0.40    --  108.87  30.00 -90.00  124
 18  ω    114.00 161.00   0.50    0.40    --  108.87  30.00-120.00   94
 19  ω     88.00 167.00   0.50    0.40    --  108.87  62.00 -42.00  158
 20  ω     75.00 129.00   0.50    0.40    --  108.87  15.00  90.00  108
 21  ω    -22.00  11.00   0.50    0.12    --   41.06 -62.00 179.00   66
 22  ω     23.00  49.00   0.50    0.12    --   41.06 -62.00 179.00   52
 23  ω    -27.00  26.00   0.50    0.12    --  -41.06  62.00 -42.00  106
 24  ω    -54.00 -17.00   0.50    0.12    --  -50.00  61.00 -90.00   74
 25  ω     -4.00  21.00   0.50    0.12    --  -50.00  61.00 -90.00   50
 26  ω     -9.00  32.00   0.50    0.12    --  -50.00  30.00-180.00   82
 27  ω    -39.00 -14.00   0.50    0.12    --  -50.00  62.00 -42.00   50
 28  ω     -2.00  24.00   0.50    0.12    --  -50.00  30.00  30.00   52
 29  ω      1.00  27.00   0.50    0.12    --  -50.00  30.00  90.00   52
 30  ω    -53.00  25.00   0.50    0.12    --  -50.00  61.00  60.00  156
 31  ω    -38.00  15.00   0.50    0.12    --   41.06 -38.00 -90.00  106
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0364607000
_diffrn_orient_matrix_UB_12      0.0229793000
_diffrn_orient_matrix_UB_13      -0.0136507000
_diffrn_orient_matrix_UB_21      -0.0393861000
_diffrn_orient_matrix_UB_22      0.0574073000
_diffrn_orient_matrix_UB_23      -0.0394373000
_diffrn_orient_matrix_UB_31      0.0242563000
_diffrn_orient_matrix_UB_32      0.0587110000
_diffrn_orient_matrix_UB_33      0.0439662000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9334
_reflns_number_total             11047
_reflns_odcompleteness_completeness 99.36
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.43.75a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.43.75a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.43.75a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         2.620
_refine_diff_density_min         -1.440
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     912
_refine_ls_number_reflns         11047
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0457
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0735P)²+109.6239P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1288
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 H42-H40C
 2.2 with sigma of 0.01
 Dy2-H2WA \\sim Dy2-H2WB
 with sigma of 0.02
 Dy1-H1WA \\sim Dy1-H1WB
 with sigma of 0.02
3.a Riding coordinates:
 C40(H40A,H40B,H40C)
3.b Free rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB)
3.c Rotating group:
 O3W(H3WA,H3WB), O4W(H4WA,H4WB)
3.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C12(H12), C13(H13), C16(H16), C17(H17),
 C18(H18), C21(H21), C25(H25), C26(H26), C29(H29), C30(H30), C31(H31), C34(H34),
  C38(H38), C39(H39), C42(H42), C43(H43), C44(H44), C47(H47), C51(H51), C52(H52)
3.e X=CH2 refined with riding coordinates:
 N5(H5A,H5B), N10(H10A,H10B), N15(H15A,H15B), N20(H20A,H20B)
3.f Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C14(H14A,H14B,H14C), C27(H27A,H27B,H27C)
;
_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
C1 C 0.4283(4) 0.0957(5) 0.7417(4) 0.084(3) Uani 1 1 d . . . . .
H1A H 0.394773 0.072574 0.716889 0.125 Uiso 1 1 calc R U . . .
H1B H 0.429110 0.119745 0.769980 0.125 Uiso 1 1 calc R U . . .
H1C H 0.455002 0.057702 0.756724 0.125 Uiso 1 1 calc R U . . .
C2 C 0.4328(3) 0.1272(4) 0.6720(4) 0.062(2) Uani 1 1 d . . . . .
C3 C 0.4293(4) 0.0550(4) 0.6562(4) 0.068(3) Uani 1 1 d . . . . .
H3 H 0.429790 0.015924 0.676639 0.081 Uiso 1 1 calc R U . . .
C4 C 0.4252(4) 0.0385(5) 0.6110(5) 0.082(3) Uani 1 1 d . . . . .
H4 H 0.422529 -0.011515 0.600321 0.098 Uiso 1 1 calc R U . . .
C5 C 0.4250(4) 0.0943(5) 0.5820(5) 0.079(3) Uani 1 1 d . . . . .
H5 H 0.422600 0.082530 0.551292 0.094 Uiso 1 1 calc R U . . .
C6 C 0.4284(3) 0.1697(4) 0.5966(4) 0.059(2) Uani 1 1 d . . . . .
C7 C 0.4319(3) 0.1873(4) 0.6425(4) 0.056(2) Uani 1 1 d . . . . .
C8 C 0.4277(3) 0.2263(4) 0.5633(4) 0.059(2) Uani 1 1 d . . . . .
H8 H 0.432464 0.210596 0.537791 0.071 Uiso 1 1 calc R U . . .
C9 C 0.4235(3) 0.4084(4) 0.5370(3) 0.0437(17) Uani 1 1 d . . . . .
C10 C 0.4304(3) 0.4594(4) 0.5054(3) 0.0495(18) Uani 1 1 d . . . . .
C11 C 0.4266(4) 0.4375(5) 0.4590(3) 0.062(2) Uani 1 1 d . . . . .
C12 C 0.4438(4) 0.5574(5) 0.4506(4) 0.066(2) Uani 1 1 d . . . . .
H12 H 0.448494 0.593505 0.431987 0.080 Uiso 1 1 calc R U . . .
C13 C 0.4492(4) 0.5780(5) 0.4953(3) 0.060(2) Uani 1 1 d . . . . .
H13 H 0.459021 0.627367 0.507808 0.072 Uiso 1 1 calc R U . . .
C14 C 0.2012(5) 0.5528(7) 0.4603(7) 0.136(6) Uani 1 1 d . . . . .
H14A H 0.179800 0.569167 0.423485 0.203 Uiso 1 1 calc R U . . .
H14B H 0.195520 0.585362 0.481155 0.203 Uiso 1 1 calc R U . . .
H14C H 0.192103 0.501921 0.462346 0.203 Uiso 1 1 calc R U . . .
C15 C 0.2667(3) 0.6257(5) 0.4747(3) 0.059(2) Uani 1 1 d . . . . .
C16 C 0.2334(4) 0.6805(5) 0.4447(3) 0.070(3) Uani 1 1 d . . . . .
H16 H 0.197674 0.671432 0.424189 0.084 Uiso 1 1 calc R U . . .
C17 C 0.2511(5) 0.7490(6) 0.4439(4) 0.083(3) Uani 1 1 d . . . . .
H17 H 0.227442 0.788116 0.424978 0.100 Uiso 1 1 calc R U . . .
C18 C 0.3020(4) 0.7617(5) 0.4697(4) 0.072(3) Uani 1 1 d . . . . .
H18 H 0.313640 0.808321 0.466803 0.086 Uiso 1 1 calc R U . . .
C19 C 0.3376(3) 0.7047(5) 0.5009(3) 0.057(2) Uani 1 1 d . . . . .
C20 C 0.3207(3) 0.6350(4) 0.5038(3) 0.052(2) Uani 1 1 d . . . . .
C21 C 0.3908(3) 0.7260(5) 0.5287(3) 0.055(2) Uani 1 1 d . . . . .
H21 H 0.397347 0.774431 0.522221 0.066 Uiso 1 1 calc R U . . .
C22 C 0.5162(3) 0.6820(4) 0.6159(3) 0.0478(18) Uani 1 1 d . . . . .
C23 C 0.5682(4) 0.7134(4) 0.6414(3) 0.055(2) Uani 1 1 d . . . . .
C24 C 0.5792(4) 0.7808(5) 0.6250(4) 0.070(3) Uani 1 1 d . . . . .
C25 C 0.6638(4) 0.7557(6) 0.6853(4) 0.073(3) Uani 1 1 d . . . . .
H25 H 0.698561 0.768452 0.701565 0.087 Uiso 1 1 calc R U . . .
C26 C 0.6545(4) 0.6941(5) 0.7023(4) 0.062(2) Uani 1 1 d . . . . .
H26 H 0.682036 0.665699 0.730141 0.075 Uiso 1 1 calc R U . . .
C27 C 0.4488(4) 0.8348(4) 0.6527(4) 0.064(2) Uani 1 1 d . . . . .
H27A H 0.415476 0.810533 0.629226 0.096 Uiso 1 1 calc R U . . .
H27B H 0.457836 0.859419 0.631592 0.096 Uiso 1 1 calc R U . . .
H27C H 0.447011 0.871554 0.674322 0.096 Uiso 1 1 calc R U . . .
C28 C 0.5369(3) 0.8021(4) 0.7214(3) 0.054(2) Uani 1 1 d . . . . .
C29 C 0.5526(4) 0.8743(4) 0.7338(4) 0.068(3) Uani 1 1 d . . . . .
H29 H 0.528561 0.913594 0.716900 0.081 Uiso 1 1 calc R U . . .
C30 C 0.6053(4) 0.8894(5) 0.7722(5) 0.078(3) Uani 1 1 d . . . . .
H30 H 0.616684 0.939136 0.781357 0.094 Uiso 1 1 calc R U . . .
C31 C 0.6400(4) 0.8324(5) 0.7964(4) 0.073(3) Uani 1 1 d . . . . .
H31 H 0.675030 0.843023 0.822939 0.087 Uiso 1 1 calc R U . . .
C32 C 0.6240(3) 0.7586(4) 0.7822(3) 0.054(2) Uani 1 1 d . . . . .
C33 C 0.5717(3) 0.7411(4) 0.7449(3) 0.0453(17) Uani 1 1 d . . . . .
C34 C 0.6627(3) 0.7024(4) 0.8088(3) 0.0533(19) Uani 1 1 d . . . . .
H34 H 0.695444 0.717821 0.838385 0.064 Uiso 1 1 calc R U . . .
C35 C 0.6960(3) 0.5221(4) 0.8213(3) 0.0478(18) Uani 1 1 d . . . . .
C36 C 0.7387(3) 0.4689(5) 0.8538(3) 0.055(2) Uani 1 1 d . . . . .
C37 C 0.7899(4) 0.4909(5) 0.8963(4) 0.069(3) Uani 1 1 d . . . . .
C38 C 0.8160(4) 0.3700(6) 0.9028(4) 0.073(3) Uani 1 1 d . . . . .
H38 H 0.842408 0.333921 0.917401 0.087 Uiso 1 1 calc R U . . .
C39 C 0.7658(3) 0.3488(5) 0.8653(4) 0.060(2) Uani 1 1 d . . . . .
H39 H 0.758029 0.297960 0.856499 0.072 Uiso 1 1 calc R U . . .
C40 C 0.6772(6) 0.4108(7) 0.6109(5) 0.142(7) Uani 1 1 d . . . . .
H40A H 0.670130 0.463659 0.602894 0.213 Uiso 1 1 d R U . . .
H40B H 0.655870 0.382099 0.578364 0.213 Uiso 1 1 d R U . . .
H40C H 0.713370 0.401109 0.627054 0.213 Uiso 1 1 d DR U . . .
C41 C 0.6786(4) 0.3181(7) 0.6663(4) 0.075(3) Uani 1 1 d . . . . .
C42 C 0.6966(4) 0.2678(7) 0.6487(4) 0.093(4) Uani 1 1 d . . . . .
H42 H 0.701416 0.280811 0.622804 0.111 Uiso 1 1 calc DR U . . .
C43 C 0.7073(5) 0.1987(9) 0.6692(5) 0.110(5) Uani 1 1 d . . . . .
H43 H 0.719097 0.162604 0.656918 0.132 Uiso 1 1 calc R U . . .
C44 C 0.7016(5) 0.1798(7) 0.7068(4) 0.092(4) Uani 1 1 d . . . . .
H44 H 0.710034 0.131121 0.720862 0.110 Uiso 1 1 calc R U . . .
C45 C 0.6833(4) 0.2313(5) 0.7253(4) 0.066(2) Uani 1 1 d . . . . .
C46 C 0.6719(4) 0.3022(6) 0.7055(4) 0.067(2) Uani 1 1 d . . . . .
C47 C 0.6827(3) 0.2058(5) 0.7686(4) 0.067(2) Uani 1 1 d . . . . .
H47 H 0.691762 0.155607 0.778943 0.081 Uiso 1 1 calc R U . . .
C48 C 0.6714(3) 0.2472(4) 0.8656(3) 0.0516(19) Uani 1 1 d . . . . .
C49 C 0.6837(3) 0.2168(4) 0.9154(3) 0.0497(18) Uani 1 1 d . . . . .
C50 C 0.7101(3) 0.1476(4) 0.9384(3) 0.0517(19) Uani 1 1 d . . . . .
C51 C 0.7142(3) 0.1777(5) 1.0102(4) 0.061(2) Uani 1 1 d . . . . .
H51 H 0.725379 0.165411 1.044734 0.074 Uiso 1 1 calc R U . . .
C52 C 0.6881(3) 0.2423(4) 0.9888(3) 0.0529(19) Uani 1 1 d . . . . .
H52 H 0.681494 0.273876 1.008094 0.063 Uiso 1 1 calc R U . . .
C53 C 0.5166(3) 0.4378(4) 0.6845(3) 0.0425(17) Uani 1 1 d . . . . .
C54 C 0.4114(3) 0.4900(4) 0.6805(3) 0.0382(16) Uani 1 1 d . . . . .
Dy1 Dy 0.39840(2) 0.36357(2) 0.61890(2) 0.04078(13) Uani 1 1 d D . . . .
Dy2 Dy 0.43366(2) 0.56391(2) 0.59809(2) 0.03781(12) Uani 1 1 d D . . . .
Dy3 Dy 0.58134(2) 0.56840(2) 0.71892(2) 0.03834(12) Uani 1 1 d . . . . .
Dy4 Dy 0.63168(2) 0.36703(2) 0.77523(2) 0.04557(14) Uani 1 1 d . . . . .
N1 N 0.4210(2) 0.2957(3) 0.5657(3) 0.0497(15) Uani 1 1 d . . . . .
N2 N 0.4241(3) 0.3370(4) 0.5298(3) 0.0534(16) Uani 1 1 d . . . . .
N3 N 0.4408(3) 0.5300(4) 0.5219(2) 0.0499(15) Uani 1 1 d . . . . .
N4 N 0.4321(3) 0.4881(4) 0.4321(3) 0.069(2) Uani 1 1 d . . . . .
N5 N 0.4152(3) 0.3683(4) 0.4412(3) 0.073(2) Uani 1 1 d . . . . .
H5A H 0.411444 0.356587 0.412015 0.088 Uiso 1 1 calc R U . . .
H5B H 0.411517 0.334305 0.458573 0.088 Uiso 1 1 calc R U . . .
N6 N 0.4297(3) 0.6859(3) 0.5610(2) 0.0514(16) Uani 1 1 d . . . . .
N7 N 0.4767(3) 0.7226(3) 0.5813(3) 0.0501(16) Uani 1 1 d . . . . .
N8 N 0.6065(3) 0.6736(3) 0.6796(3) 0.0499(16) Uani 1 1 d . . . . .
N9 N 0.6284(4) 0.7999(5) 0.6477(4) 0.077(2) Uani 1 1 d . . . . .
N10 N 0.5424(4) 0.8228(5) 0.5875(4) 0.098(3) Uani 1 1 d . . . . .
H10A H 0.549827 0.862737 0.577398 0.118 Uiso 1 1 calc R U . . .
H10B H 0.510194 0.810851 0.572402 0.118 Uiso 1 1 calc R U . . .
N11 N 0.6575(2) 0.6335(3) 0.7968(2) 0.0482(15) Uani 1 1 d . . . . .
N12 N 0.7020(3) 0.5906(4) 0.8331(3) 0.0544(16) Uani 1 1 d . . . . .
N13 N 0.7277(3) 0.3988(4) 0.8413(3) 0.0515(16) Uani 1 1 d . . . . .
N14 N 0.8281(3) 0.4402(5) 0.9187(3) 0.078(2) Uani 1 1 d . . . . .
N15 N 0.8010(3) 0.5585(5) 0.9145(4) 0.098(3) Uani 1 1 d . . . . .
H15A H 0.832655 0.570223 0.940591 0.117 Uiso 1 1 calc R U . . .
H15B H 0.776876 0.592427 0.900535 0.117 Uiso 1 1 calc R U . . .
N16 N 0.6711(3) 0.2444(4) 0.7945(3) 0.0576(17) Uani 1 1 d . . . . .
N17 N 0.6802(3) 0.2054(4) 0.8379(3) 0.0576(17) Uani 1 1 d . . . . .
N18 N 0.6722(2) 0.2603(3) 0.9406(3) 0.0498(15) Uani 1 1 d . . . . .
N19 N 0.7249(3) 0.1312(3) 0.9858(3) 0.0570(18) Uani 1 1 d . . . . .
N20 N 0.7196(3) 0.1003(4) 0.9131(3) 0.069(2) Uani 1 1 d . . . . .
H20A H 0.735553 0.058487 0.928147 0.083 Uiso 1 1 calc R U . . .
H20B H 0.709832 0.110793 0.881131 0.083 Uiso 1 1 calc R U . . .
O1W O 0.3233(2) 0.4238(3) 0.5464(3) 0.0647(16) Uani 1 1 d G . . . .
H1WA H 0.292988 0.408745 0.535303 0.097 Uiso 1 1 d DG U . . .
H1WB H 0.321141 0.471768 0.545085 0.097 Uiso 1 1 d DG U . . .
O2 O 0.4339(2) 0.2546(3) 0.6577(2) 0.0527(13) Uani 1 1 d . . . . .
O2W O 0.43866(19) 0.6450(2) 0.65893(19) 0.0411(11) Uani 1 1 d G . . . .
H2WA H 0.438202 0.621017 0.682521 0.062 Uiso 1 1 d DG U . . .
H2WB H 0.467445 0.669064 0.676904 0.062 Uiso 1 1 d DG U . . .
O3 O 0.42067(19) 0.4384(2) 0.57220(18) 0.0425(11) Uani 1 1 d . . . . .
O3W O 0.6163(2) 0.5146(3) 0.6757(2) 0.0525(13) Uani 1 1 d . . . . .
H3WA H 0.592387 0.512500 0.641925 0.079 Uiso 1 1 d R U . . .
H3WB H 0.624349 0.468551 0.685317 0.079 Uiso 1 1 d R U . . .
O4 O 0.2523(2) 0.5556(3) 0.4798(2) 0.0655(16) Uani 1 1 d . . . . .
O4W O 0.5614(2) 0.2845(3) 0.7402(2) 0.0523(13) Uani 1 1 d . . . . .
H4WA H 0.533041 0.309615 0.724218 0.078 Uiso 1 1 d R U . . .
H4WB H 0.563608 0.262494 0.766014 0.078 Uiso 1 1 d R U . . .
O5 O 0.35191(19) 0.5802(3) 0.5326(2) 0.0482(12) Uani 1 1 d . . . . .
O6 O 0.51421(19) 0.6156(3) 0.62992(19) 0.0424(11) Uani 1 1 d . . . . .
O7 O 0.4872(2) 0.7802(3) 0.6863(2) 0.0518(13) Uani 1 1 d . . . . .
O8 O 0.55415(18) 0.6747(2) 0.73083(18) 0.0395(11) Uani 1 1 d . . . . .
O9 O 0.65389(18) 0.4927(3) 0.78083(18) 0.0435(11) Uani 1 1 d . . . . .
O10 O 0.6657(3) 0.3893(5) 0.6474(3) 0.089(2) Uani 1 1 d . . . . .
O11 O 0.6521(2) 0.3531(3) 0.7195(2) 0.0636(16) Uani 1 1 d . . . . .
O12 O 0.65435(19) 0.3149(3) 0.8542(2) 0.0489(12) Uani 1 1 d . . . . .
O13 O 0.48813(19) 0.3847(3) 0.67602(19) 0.0433(11) Uani 1 1 d . . . . .
O14 O 0.50086(18) 0.5068(2) 0.67263(18) 0.0387(10) Uani 1 1 d . . . . .
O15 O 0.56438(19) 0.4305(3) 0.70521(19) 0.0422(11) Uani 1 1 d . . . . .
O16 O 0.4079(2) 0.4226(2) 0.69182(19) 0.0423(11) Uani 1 1 d . . . . .
O17 O 0.39978(18) 0.4981(2) 0.63409(18) 0.0407(11) Uani 1 1 d . . . . .
O18 O 0.42452(19) 0.5434(2) 0.71174(18) 0.0395(11) Uani 1 1 d . . . . .
O21 O 0.4368(2) 0.1487(3) 0.7152(3) 0.0662(16) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 O21 1.405(11) . ?
C2 C3 1.377(12) . ?
C2 C7 1.422(12) . ?
C2 O21 1.347(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.387(15) . ?
C4 H4 0.9500 . ?
C4 C5 1.360(15) . ?
C5 H5 0.9500 . ?
C5 C6 1.422(12) . ?
C6 C7 1.422(12) . ?
C6 C8 1.457(12) . ?
C7 O2 1.298(9) . ?
C8 H8 0.9500 . ?
C8 N1 1.284(10) . ?
C9 C10 1.470(11) . ?
C9 N2 1.313(10) . ?
C9 O3 1.290(8) . ?
C10 C11 1.452(11) . ?
C10 N3 1.343(10) . ?
C11 N4 1.329(12) . ?
C11 N5 1.330(11) . ?
C12 H12 0.9500 . ?
C12 C13 1.369(12) . ?
C12 N4 1.338(12) . ?
C13 H13 0.9500 . ?
C13 N3 1.344(10) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14 O4 1.389(14) . ?
C15 C16 1.352(12) . ?
C15 C20 1.427(12) . ?
C15 O4 1.394(10) . ?
C16 H16 0.9500 . ?
C16 C17 1.372(15) . ?
C17 H17 0.9500 . ?
C17 C18 1.362(15) . ?
C18 H18 0.9500 . ?
C18 C19 1.419(12) . ?
C19 C20 1.400(12) . ?
C19 C21 1.451(13) . ?
C20 O5 1.318(9) . ?
C21 H21 0.9500 . ?
C21 N6 1.278(10) . ?
C22 C23 1.488(12) . ?
C22 N7 1.309(10) . ?
C22 O6 1.295(9) . ?
C23 C24 1.449(11) . ?
C23 N8 1.317(11) . ?
C24 N9 1.352(13) . ?
C24 N10 1.315(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.346(13) . ?
C25 N9 1.322(13) . ?
C26 H26 0.9500 . ?
C26 N8 1.328(11) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C27 O7 1.444(9) . ?
C28 C29 1.370(11) . ?
C28 C33 1.431(11) . ?
C28 O7 1.368(10) . ?
C29 H29 0.9500 . ?
C29 C30 1.418(14) . ?
C30 H30 0.9500 . ?
C30 C31 1.376(14) . ?
C31 H31 0.9500 . ?
C31 C32 1.404(11) . ?
C32 C33 1.415(12) . ?
C32 C34 1.435(12) . ?
C33 O8 1.289(9) . ?
C34 H34 0.9500 . ?
C34 N11 1.285(10) . ?
C35 C36 1.486(11) . ?
C35 N12 1.274(10) . ?
C35 O9 1.309(9) . ?
C36 C37 1.442(12) . ?
C36 N13 1.312(11) . ?
C37 N14 1.354(12) . ?
C37 N15 1.307(12) . ?
C38 H38 0.9500 . ?
C38 C39 1.386(13) . ?
C38 N14 1.336(12) . ?
C39 H39 0.9500 . ?
C39 N13 1.345(11) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C40 O10 1.460(12) . ?
C41 C42 1.366(14) . ?
C41 C46 1.409(14) . ?
C41 O10 1.373(13) . ?
C42 H42 0.9500 . ?
C42 C43 1.354(18) . ?
C43 H43 0.9500 . ?
C43 C44 1.348(17) . ?
C44 H44 0.9500 . ?
C44 C45 1.405(12) . ?
C45 C46 1.377(14) . ?
C45 C47 1.458(13) . ?
C46 O11 1.341(10) . ?
C47 H47 0.9500 . ?
C47 N16 1.289(11) . ?
C48 C49 1.482(11) . ?
C48 N17 1.307(10) . ?
C48 O12 1.304(9) . ?
C49 C50 1.445(11) . ?
C49 N18 1.320(10) . ?
C50 N19 1.307(11) . ?
C50 N20 1.326(11) . ?
C51 H51 0.9500 . ?
C51 C52 1.363(12) . ?
C51 N19 1.316(11) . ?
C52 H52 0.9500 . ?
C52 N18 1.325(10) . ?
C53 Dy3 2.908(7) . ?
C53 O13 1.247(9) . ?
C53 O14 1.314(8) . ?
C53 O15 1.285(9) . ?
C54 Dy1 2.865(7) . ?
C54 O16 1.292(8) . ?
C54 O17 1.287(8) . ?
C54 O18 1.260(8) . ?
Dy1 Dy2 3.9690(5) . ?
Dy1 N1 2.518(6) . ?
Dy1 N18 2.675(6) 2_656 ?
Dy1 O1W 2.396(6) . ?
Dy1 O2 2.242(5) . ?
Dy1 O3 2.409(5) . ?
Dy1 O12 2.484(5) 2_656 ?
Dy1 O13 2.378(5) . ?
Dy1 O16 2.387(5) . ?
Dy1 O17 2.473(5) . ?
Dy2 Dy3 3.9807(7) . ?
Dy2 N3 2.625(6) . ?
Dy2 N6 2.464(6) . ?
Dy2 O2W 2.346(5) . ?
Dy2 O3 2.363(4) . ?
Dy2 O5 2.212(5) . ?
Dy2 O6 2.369(5) . ?
Dy2 O14 2.296(5) . ?
Dy2 O17 2.327(4) . ?
Dy3 Dy4 3.9531(6) . ?
Dy3 N8 2.653(6) . ?
Dy3 N11 2.515(6) . ?
Dy3 O3W 2.438(5) . ?
Dy3 O6 2.470(5) . ?
Dy3 O8 2.238(4) . ?
Dy3 O9 2.404(5) . ?
Dy3 O14 2.382(5) . ?
Dy3 O15 2.533(5) . ?
Dy3 O18 2.354(4) 2_656 ?
Dy4 N13 2.585(7) . ?
Dy4 N16 2.448(7) . ?
Dy4 O4W 2.379(5) . ?
Dy4 O9 2.358(5) . ?
Dy4 O11 2.235(5) . ?
Dy4 O12 2.339(5) . ?
Dy4 O15 2.290(5) . ?
Dy4 O16 2.312(4) 2_656 ?
N1 N2 1.410(9) . ?
N5 H5A 0.8800 . ?
N5 H5B 0.8800 . ?
N6 N7 1.420(9) . ?
N10 H10A 0.8800 . ?
N10 H10B 0.8800 . ?
N11 N12 1.426(9) . ?
N15 H15A 0.8800 . ?
N15 H15B 0.8800 . ?
N16 N17 1.410(10) . ?
N20 H20A 0.8800 . ?
N20 H20B 0.8800 . ?
O1W H1WA 0.8709 . ?
O1W H1WB 0.8696 . ?
O2W H2WA 0.8705 . ?
O2W H2WB 0.8689 . ?
O3W H3WA 0.8710 . ?
O3W H3WB 0.8714 . ?
O4W H4WA 0.8716 . ?
O4W H4WB 0.8722 . ?

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
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O21 C1 H1A 109.5 . . ?
O21 C1 H1B 109.5 . . ?
O21 C1 H1C 109.5 . . ?
C3 C2 C7 121.3(9) . . ?
O21 C2 C3 125.3(9) . . ?
O21 C2 C7 113.4(7) . . ?
C2 C3 H3 119.5 . . ?
C2 C3 C4 120.9(9) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.6(9) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.6(10) . . ?
C6 C5 H5 119.2 . . ?
C5 C6 C7 119.2(8) . . ?
C5 C6 C8 118.4(8) . . ?
C7 C6 C8 122.5(7) . . ?
C2 C7 C6 117.3(8) . . ?
O2 C7 C2 119.7(8) . . ?
O2 C7 C6 123.0(8) . . ?
C6 C8 H8 117.5 . . ?
N1 C8 C6 125.0(8) . . ?
N1 C8 H8 117.5 . . ?
N2 C9 C10 118.5(7) . . ?
O3 C9 C10 116.2(6) . . ?
O3 C9 N2 125.2(7) . . ?
C11 C10 C9 124.0(7) . . ?
N3 C10 C9 115.8(6) . . ?
N3 C10 C11 120.2(7) . . ?
N4 C11 C10 119.7(8) . . ?
N4 C11 N5 119.0(8) . . ?
N5 C11 C10 121.2(8) . . ?
C13 C12 H12 118.8 . . ?
N4 C12 H12 118.8 . . ?
N4 C12 C13 122.4(8) . . ?
C12 C13 H13 119.3 . . ?
N3 C13 C12 121.3(8) . . ?
N3 C13 H13 119.3 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
C16 C15 C20 122.2(9) . . ?
C16 C15 O4 124.2(9) . . ?
O4 C15 C20 113.6(7) . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.2(10) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.0(9) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C19 119.6(10) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 C21 114.5(8) . . ?
C20 C19 C18 120.6(9) . . ?
C20 C19 C21 124.9(7) . . ?
C19 C20 C15 116.3(7) . . ?
O5 C20 C15 120.3(7) . . ?
O5 C20 C19 123.4(8) . . ?
C19 C21 H21 116.9 . . ?
N6 C21 C19 126.2(8) . . ?
N6 C21 H21 116.9 . . ?
N7 C22 C23 118.3(7) . . ?
O6 C22 C23 116.1(7) . . ?
O6 C22 N7 125.6(7) . . ?
C24 C23 C22 124.7(9) . . ?
N8 C23 C22 116.0(7) . . ?
N8 C23 C24 119.2(8) . . ?
N9 C24 C23 119.4(9) . . ?
N10 C24 C23 121.4(9) . . ?
N10 C24 N9 119.2(8) . . ?
C26 C25 H25 117.4 . . ?
N9 C25 H25 117.4 . . ?
N9 C25 C26 125.2(10) . . ?
C25 C26 H26 120.4 . . ?
N8 C26 C25 119.1(10) . . ?
N8 C26 H26 120.4 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O7 C27 H27A 109.5 . . ?
O7 C27 H27B 109.5 . . ?
O7 C27 H27C 109.5 . . ?
C29 C28 C33 122.7(9) . . ?
O7 C28 C29 124.6(8) . . ?
O7 C28 C33 112.7(6) . . ?
C28 C29 H29 120.6 . . ?
C28 C29 C30 118.8(9) . . ?
C30 C29 H29 120.6 . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.4(8) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 119.7 . . ?
C30 C31 C32 120.5(9) . . ?
C32 C31 H31 119.7 . . ?
C31 C32 C33 120.7(8) . . ?
C31 C32 C34 117.1(8) . . ?
C33 C32 C34 122.1(7) . . ?
C32 C33 C28 116.7(7) . . ?
O8 C33 C28 119.2(7) . . ?
O8 C33 C32 124.2(7) . . ?
C32 C34 H34 116.6 . . ?
N11 C34 C32 126.8(8) . . ?
N11 C34 H34 116.6 . . ?
N12 C35 C36 120.7(7) . . ?
N12 C35 O9 124.7(7) . . ?
O9 C35 C36 114.6(7) . . ?
C37 C36 C35 123.5(8) . . ?
N13 C36 C35 116.2(7) . . ?
N13 C36 C37 120.3(8) . . ?
N14 C37 C36 119.5(9) . . ?
N15 C37 C36 122.1(9) . . ?
N15 C37 N14 118.3(9) . . ?
C39 C38 H38 119.4 . . ?
N14 C38 H38 119.4 . . ?
N14 C38 C39 121.1(9) . . ?
C38 C39 H39 119.3 . . ?
N13 C39 C38 121.4(9) . . ?
N13 C39 H39 119.3 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O10 C40 H40A 109.5 . . ?
O10 C40 H40B 109.5 . . ?
O10 C40 H40C 109.4 . . ?
C42 C41 C46 123.3(11) . . ?
C42 C41 O10 122.7(9) . . ?
O10 C41 C46 114.0(8) . . ?
C41 C42 H42 121.0 . . ?
C43 C42 C41 118.0(11) . . ?
C43 C42 H42 121.0 . . ?
C42 C43 H43 119.2 . . ?
C44 C43 C42 121.7(11) . . ?
C44 C43 H43 119.2 . . ?
C43 C44 H44 119.6 . . ?
C43 C44 C45 120.8(12) . . ?
C45 C44 H44 119.6 . . ?
C44 C45 C47 115.3(9) . . ?
C46 C45 C44 119.6(10) . . ?
C46 C45 C47 124.8(8) . . ?
C45 C46 C41 116.7(9) . . ?
O11 C46 C41 120.4(9) . . ?
O11 C46 C45 122.7(9) . . ?
C45 C47 H47 116.6 . . ?
N16 C47 C45 126.7(9) . . ?
N16 C47 H47 116.6 . . ?
N17 C48 C49 117.9(7) . . ?
O12 C48 C49 116.3(7) . . ?
O12 C48 N17 125.8(8) . . ?
C50 C49 C48 124.0(7) . . ?
N18 C49 C48 115.2(6) . . ?
N18 C49 C50 120.6(7) . . ?
N19 C50 C49 118.4(7) . . ?
N19 C50 N20 119.3(7) . . ?
N20 C50 C49 122.4(8) . . ?
C52 C51 H51 118.0 . . ?
N19 C51 H51 118.0 . . ?
N19 C51 C52 124.0(8) . . ?
C51 C52 H52 120.5 . . ?
N18 C52 C51 118.9(8) . . ?
N18 C52 H52 120.5 . . ?
O13 C53 Dy3 170.0(5) . . ?
O13 C53 O14 123.7(7) . . ?
O13 C53 O15 123.3(6) . . ?
O14 C53 Dy3 53.8(3) . . ?
O15 C53 Dy3 60.4(4) . . ?
O15 C53 O14 113.0(6) . . ?
O16 C54 Dy1 55.6(3) . . ?
O17 C54 Dy1 59.5(3) . . ?
O17 C54 O16 114.1(6) . . ?
O18 C54 Dy1 171.1(5) . . ?
O18 C54 O16 123.3(6) . . ?
O18 C54 O17 122.6(6) . . ?
C54 Dy1 Dy2 56.26(13) . . ?
N1 Dy1 C54 149.1(2) . . ?
N1 Dy1 Dy2 96.06(14) . . ?
N1 Dy1 N18 70.1(2) . 2_656 ?
N18 Dy1 C54 138.79(19) 2_656 . ?
N18 Dy1 Dy2 137.03(14) 2_656 . ?
O1W Dy1 C54 86.7(2) . . ?
O1W Dy1 Dy2 69.99(13) . . ?
O1W Dy1 N1 96.8(2) . . ?
O1W Dy1 N18 71.57(19) . 2_656 ?
O1W Dy1 O3 70.5(2) . . ?
O1W Dy1 O12 88.3(2) . 2_656 ?
O1W Dy1 O17 68.28(18) . . ?
O2 Dy1 C54 120.5(2) . . ?
O2 Dy1 Dy2 141.84(14) . . ?
O2 Dy1 N1 71.3(2) . . ?
O2 Dy1 N18 73.71(19) . 2_656 ?
O2 Dy1 O1W 145.28(19) . . ?
O2 Dy1 O3 125.72(19) . . ?
O2 Dy1 O12 74.77(19) . 2_656 ?
O2 Dy1 O13 74.11(17) . . ?
O2 Dy1 O16 97.77(18) . . ?
O2 Dy1 O17 144.36(18) . . ?
O3 Dy1 C54 89.54(17) . . ?
O3 Dy1 Dy2 33.35(11) . . ?
O3 Dy1 N1 63.29(18) . . ?
O3 Dy1 N18 113.96(18) . 2_656 ?
O3 Dy1 O12 158.22(17) . 2_656 ?
O3 Dy1 O17 65.78(15) . . ?
O12 Dy1 C54 84.44(17) 2_656 . ?
O12 Dy1 Dy2 134.90(12) 2_656 . ?
O12 Dy1 N1 126.25(18) 2_656 . ?
O12 Dy1 N18 60.97(18) 2_656 2_656 ?
O13 Dy1 C54 74.74(18) . . ?
O13 Dy1 Dy2 68.53(11) . . ?
O13 Dy1 N1 82.63(19) . . ?
O13 Dy1 N18 143.02(17) . 2_656 ?
O13 Dy1 O1W 138.20(18) . . ?
O13 Dy1 O3 72.21(17) . . ?
O13 Dy1 O12 125.62(17) . 2_656 ?
O13 Dy1 O16 78.40(17) . . ?
O13 Dy1 O17 79.75(16) . . ?
O16 Dy1 C54 26.55(17) . . ?
O16 Dy1 Dy2 82.39(10) . . ?
O16 Dy1 N1 160.2(2) . . ?
O16 Dy1 N18 123.70(18) . 2_656 ?
O16 Dy1 O1W 101.2(2) . . ?
O16 Dy1 O3 115.27(15) . . ?
O16 Dy1 O12 63.10(16) . 2_656 ?
O16 Dy1 O17 52.85(15) . . ?
O17 Dy1 C54 26.62(17) . . ?
O17 Dy1 Dy2 33.05(10) . . ?
O17 Dy1 N1 129.00(17) . . ?
O17 Dy1 N18 136.97(17) . 2_656 ?
O17 Dy1 O12 102.59(16) . 2_656 ?
Dy1 Dy2 Dy3 99.335(12) . . ?
N3 Dy2 Dy1 97.51(14) . . ?
N3 Dy2 Dy3 99.80(15) . . ?
N6 Dy2 Dy1 163.05(16) . . ?
N6 Dy2 Dy3 97.47(16) . . ?
N6 Dy2 N3 77.3(2) . . ?
O2W Dy2 Dy1 108.69(11) . . ?
O2W Dy2 Dy3 75.21(12) . . ?
O2W Dy2 N3 153.77(18) . . ?
O2W Dy2 N6 77.86(18) . . ?
O2W Dy2 O3 142.66(16) . . ?
O2W Dy2 O6 83.41(17) . . ?
O3 Dy2 Dy1 34.09(12) . . ?
O3 Dy2 Dy3 102.54(12) . . ?
O3 Dy2 N3 63.46(18) . . ?
O3 Dy2 N6 138.24(18) . . ?
O3 Dy2 O6 116.75(17) . . ?
O5 Dy2 Dy1 88.40(13) . . ?
O5 Dy2 Dy3 171.09(13) . . ?
O5 Dy2 N3 83.4(2) . . ?
O5 Dy2 N6 75.0(2) . . ?
O5 Dy2 O2W 98.20(18) . . ?
O5 Dy2 O3 86.35(18) . . ?
O5 Dy2 O6 139.02(18) . . ?
O5 Dy2 O14 154.33(17) . . ?
O5 Dy2 O17 82.58(18) . . ?
O6 Dy2 Dy1 130.13(12) . . ?
O6 Dy2 Dy3 35.49(11) . . ?
O6 Dy2 N3 78.63(18) . . ?
O6 Dy2 N6 65.2(2) . . ?
O14 Dy2 Dy1 67.19(11) . . ?
O14 Dy2 Dy3 32.34(11) . . ?
O14 Dy2 N3 106.65(18) . . ?
O14 Dy2 N6 129.7(2) . . ?
O14 Dy2 O2W 83.11(16) . . ?
O14 Dy2 O3 77.81(16) . . ?
O14 Dy2 O6 66.65(16) . . ?
O14 Dy2 O17 72.96(16) . . ?
O17 Dy2 Dy1 35.43(11) . . ?
O17 Dy2 Dy3 101.14(12) . . ?
O17 Dy2 N3 130.92(18) . . ?
O17 Dy2 N6 141.7(2) . . ?
O17 Dy2 O2W 74.98(16) . . ?
O17 Dy2 O3 68.87(16) . . ?
O17 Dy2 O6 136.00(16) . . ?
C53 Dy3 Dy2 55.44(15) . . ?
C53 Dy3 Dy4 55.62(15) . . ?
Dy4 Dy3 Dy2 110.709(13) . . ?
N8 Dy3 C53 139.69(19) . . ?
N8 Dy3 Dy2 95.56(15) . . ?
N8 Dy3 Dy4 135.27(14) . . ?
N11 Dy3 C53 144.9(2) . . ?
N11 Dy3 Dy2 150.81(14) . . ?
N11 Dy3 Dy4 94.96(15) . . ?
N11 Dy3 N8 74.0(2) . . ?
N11 Dy3 O15 127.94(18) . . ?
O3W Dy3 C53 86.67(19) . . ?
O3W Dy3 Dy2 98.77(13) . . ?
O3W Dy3 Dy4 71.27(13) . . ?
O3W Dy3 N8 69.37(18) . . ?
O3W Dy3 N11 102.6(2) . . ?
O3W Dy3 O6 83.70(17) . . ?
O3W Dy3 O15 68.80(17) . . ?
O6 Dy3 C53 84.33(18) . . ?
O6 Dy3 Dy2 33.84(11) . . ?
O6 Dy3 Dy4 132.79(11) . . ?
O6 Dy3 N8 61.89(19) . . ?
O6 Dy3 N11 129.96(19) . . ?
O6 Dy3 O15 100.92(16) . . ?
O8 Dy3 C53 119.25(19) . . ?
O8 Dy3 Dy2 78.87(12) . . ?
O8 Dy3 Dy4 144.47(12) . . ?
O8 Dy3 N8 74.09(18) . . ?
O8 Dy3 N11 72.08(19) . . ?
O8 Dy3 O3W 142.99(17) . . ?
O8 Dy3 O6 74.06(16) . . ?
O8 Dy3 O9 130.27(17) . . ?
O8 Dy3 O14 96.02(16) . . ?
O8 Dy3 O15 143.66(16) . . ?
O8 Dy3 O18 75.51(16) . 2_656 ?
O9 Dy3 C53 89.10(19) . . ?
O9 Dy3 Dy2 144.07(12) . . ?
O9 Dy3 Dy4 33.50(12) . . ?
O9 Dy3 N8 111.28(19) . . ?
O9 Dy3 N11 63.29(19) . . ?
O9 Dy3 O3W 70.75(17) . . ?
O9 Dy3 O6 153.95(16) . . ?
O9 Dy3 O15 65.66(16) . . ?
O14 Dy3 C53 26.45(18) . . ?
O14 Dy3 Dy2 31.03(11) . . ?
O14 Dy3 Dy4 81.72(11) . . ?
O14 Dy3 N8 125.38(18) . . ?
O14 Dy3 N11 154.53(18) . . ?
O14 Dy3 O3W 100.20(17) . . ?
O14 Dy3 O6 63.74(15) . . ?
O14 Dy3 O9 114.96(16) . . ?
O14 Dy3 O15 52.22(16) . . ?
O15 Dy3 C53 26.16(18) . . ?
O15 Dy3 Dy2 78.46(11) . . ?
O15 Dy3 Dy4 32.99(11) . . ?
O15 Dy3 N8 136.17(17) . . ?
O18 Dy3 C53 75.56(18) 2_656 . ?
O18 Dy3 Dy2 99.79(12) 2_656 . ?
O18 Dy3 Dy4 69.20(11) 2_656 . ?
O18 Dy3 N8 142.39(17) 2_656 . ?
O18 Dy3 N11 75.95(19) 2_656 . ?
O18 Dy3 O3W 140.12(17) 2_656 . ?
O18 Dy3 O6 128.36(16) 2_656 . ?
O18 Dy3 O9 73.52(16) 2_656 . ?
O18 Dy3 O14 79.31(16) 2_656 . ?
O18 Dy3 O15 80.81(15) 2_656 . ?
N13 Dy4 Dy3 97.89(15) . . ?
N16 Dy4 Dy3 163.84(16) . . ?
N16 Dy4 N13 78.4(2) . . ?
O4W Dy4 Dy3 109.98(12) . . ?
O4W Dy4 N13 151.5(2) . . ?
O4W Dy4 N16 76.3(2) . . ?
O9 Dy4 Dy3 34.24(12) . . ?
O9 Dy4 N13 63.68(19) . . ?
O9 Dy4 N16 139.6(2) . . ?
O9 Dy4 O4W 143.64(17) . . ?
O11 Dy4 Dy3 89.24(15) . . ?
O11 Dy4 N13 83.1(2) . . ?
O11 Dy4 N16 74.7(2) . . ?
O11 Dy4 O4W 102.4(2) . . ?
O11 Dy4 O9 86.95(19) . . ?
O11 Dy4 O12 137.95(19) . . ?
O11 Dy4 O15 81.71(19) . . ?
O11 Dy4 O16 155.46(19) . 2_656 ?
O12 Dy4 Dy3 129.37(11) . . ?
O12 Dy4 N13 76.39(19) . . ?
O12 Dy4 N16 65.44(19) . . ?
O12 Dy4 O4W 81.40(19) . . ?
O12 Dy4 O9 114.81(17) . . ?
O15 Dy4 Dy3 37.03(12) . . ?
O15 Dy4 N13 132.1(2) . . ?
O15 Dy4 N16 138.7(2) . . ?
O15 Dy4 O4W 76.29(18) . . ?
O15 Dy4 O9 70.36(17) . . ?
O15 Dy4 O12 138.29(17) . . ?
O15 Dy4 O16 75.48(17) . 2_656 ?
O16 Dy4 Dy3 67.06(12) 2_656 . ?
O16 Dy4 N13 105.56(19) 2_656 . ?
O16 Dy4 N16 129.1(2) 2_656 . ?
O16 Dy4 O4W 81.05(18) 2_656 . ?
O16 Dy4 O9 77.02(16) 2_656 . ?
O16 Dy4 O12 66.48(16) 2_656 . ?
C8 N1 Dy1 130.0(6) . . ?
C8 N1 N2 111.9(7) . . ?
N2 N1 Dy1 118.0(4) . . ?
C9 N2 N1 111.5(6) . . ?
C10 N3 C13 117.9(7) . . ?
C10 N3 Dy2 116.1(5) . . ?
C13 N3 Dy2 125.7(5) . . ?
C11 N4 C12 118.4(7) . . ?
C11 N5 H5A 120.0 . . ?
C11 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C21 N6 Dy2 129.4(6) . . ?
C21 N6 N7 112.6(6) . . ?
N7 N6 Dy2 117.7(5) . . ?
C22 N7 N6 112.0(6) . . ?
C23 N8 C26 120.6(7) . . ?
C23 N8 Dy3 115.8(5) . . ?
C26 N8 Dy3 122.6(6) . . ?
C25 N9 C24 116.5(8) . . ?
C24 N10 H10A 120.0 . . ?
C24 N10 H10B 120.0 . . ?
H10A N10 H10B 120.0 . . ?
C34 N11 Dy3 128.5(6) . . ?
C34 N11 N12 113.4(6) . . ?
N12 N11 Dy3 118.1(4) . . ?
C35 N12 N11 112.8(6) . . ?
C36 N13 C39 118.9(8) . . ?
C36 N13 Dy4 116.1(5) . . ?
C39 N13 Dy4 124.9(6) . . ?
C38 N14 C37 118.3(9) . . ?
C37 N15 H15A 120.0 . . ?
C37 N15 H15B 120.0 . . ?
H15A N15 H15B 120.0 . . ?
C47 N16 Dy4 129.7(6) . . ?
C47 N16 N17 112.1(7) . . ?
N17 N16 Dy4 118.0(4) . . ?
C48 N17 N16 111.1(6) . . ?
C49 N18 C52 119.3(7) . . ?
C49 N18 Dy1 115.1(5) . 2_656 ?
C52 N18 Dy1 124.4(5) . 2_656 ?
C50 N19 C51 118.8(7) . . ?
C50 N20 H20A 120.0 . . ?
C50 N20 H20B 120.0 . . ?
H20A N20 H20B 120.0 . . ?
Dy1 O1W H1WA 120.7 . . ?
Dy1 O1W H1WB 120.5 . . ?
H1WA O1W H1WB 104.5 . . ?
C7 O2 Dy1 136.5(5) . . ?
Dy2 O2W H2WA 111.2 . . ?
Dy2 O2W H2WB 111.8 . . ?
H2WA O2W H2WB 104.5 . . ?
C9 O3 Dy1 119.7(4) . . ?
C9 O3 Dy2 127.7(4) . . ?
Dy2 O3 Dy1 112.55(19) . . ?
Dy3 O3W H3WA 109.4 . . ?
Dy3 O3W H3WB 109.3 . . ?
H3WA O3W H3WB 104.5 . . ?
C14 O4 C15 112.3(8) . . ?
Dy4 O4W H4WA 109.7 . . ?
Dy4 O4W H4WB 109.2 . . ?
H4WA O4W H4WB 104.3 . . ?
C20 O5 Dy2 138.5(5) . . ?
C22 O6 Dy2 119.2(5) . . ?
C22 O6 Dy3 121.4(5) . . ?
Dy2 O6 Dy3 110.67(17) . . ?
C28 O7 C27 119.1(6) . . ?
C33 O8 Dy3 136.0(5) . . ?
C35 O9 Dy3 121.0(5) . . ?
C35 O9 Dy4 124.1(5) . . ?
Dy4 O9 Dy3 112.26(19) . . ?
C41 O10 C40 116.0(8) . . ?
C46 O11 Dy4 139.9(6) . . ?
C48 O12 Dy1 120.4(5) . 2_656 ?
C48 O12 Dy4 119.0(5) . . ?
Dy4 O12 Dy1 112.28(19) . 2_656 ?
C53 O13 Dy1 134.9(5) . . ?
C53 O14 Dy2 133.7(4) . . ?
C53 O14 Dy3 99.7(4) . . ?
Dy2 O14 Dy3 116.62(18) . . ?
C53 O15 Dy3 93.5(4) . . ?
C53 O15 Dy4 135.6(4) . . ?
Dy4 O15 Dy3 109.98(19) . . ?
C54 O16 Dy1 97.8(4) . . ?
C54 O16 Dy4 134.3(4) . 2_656 ?
Dy4 O16 Dy1 116.94(19) 2_656 . ?
C54 O17 Dy1 93.9(4) . . ?
C54 O17 Dy2 135.4(4) . . ?
Dy2 O17 Dy1 111.52(18) . . ?
C54 O18 Dy3 134.5(4) . 2_656 ?
C2 O21 C1 118.2(7) . . ?

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
C2 C3 C4 C5 0.6(16) . . . . ?
C2 C7 O2 Dy1 -142.4(7) . . . . ?
C3 C2 C7 C6 -1.3(13) . . . . ?
C3 C2 C7 O2 178.2(8) . . . . ?
C3 C2 O21 C1 -11.5(14) . . . . ?
C3 C4 C5 C6 -0.7(17) . . . . ?
C4 C5 C6 C7 -0.2(15) . . . . ?
C4 C5 C6 C8 -179.6(10) . . . . ?
C5 C6 C7 C2 1.2(13) . . . . ?
C5 C6 C7 O2 -178.3(8) . . . . ?
C5 C6 C8 N1 166.5(9) . . . . ?
C6 C7 O2 Dy1 37.1(12) . . . . ?
C6 C8 N1 Dy1 -6.7(13) . . . . ?
C6 C8 N1 N2 177.8(8) . . . . ?
C7 C2 C3 C4 0.4(15) . . . . ?
C7 C2 O21 C1 168.0(8) . . . . ?
C7 C6 C8 N1 -12.8(14) . . . . ?
C8 C6 C7 C2 -179.5(8) . . . . ?
C8 C6 C7 O2 1.1(14) . . . . ?
C8 N1 N2 C9 -172.2(7) . . . . ?
C9 C10 C11 N4 178.2(8) . . . . ?
C9 C10 C11 N5 1.5(14) . . . . ?
C9 C10 N3 C13 177.7(8) . . . . ?
C9 C10 N3 Dy2 -8.3(9) . . . . ?
C10 C9 N2 N1 175.4(7) . . . . ?
C10 C9 O3 Dy1 172.0(5) . . . . ?
C10 C9 O3 Dy2 -6.9(9) . . . . ?
C10 C11 N4 C12 3.6(14) . . . . ?
C11 C10 N3 C13 -2.2(12) . . . . ?
C11 C10 N3 Dy2 171.7(6) . . . . ?
C12 C13 N3 C10 4.5(14) . . . . ?
C12 C13 N3 Dy2 -168.8(7) . . . . ?
C13 C12 N4 C11 -1.4(15) . . . . ?
C15 C16 C17 C18 5.1(16) . . . . ?
C15 C20 O5 Dy2 -161.9(6) . . . . ?
C16 C15 C20 C19 1.5(13) . . . . ?
C16 C15 C20 O5 179.9(8) . . . . ?
C16 C15 O4 C14 -13.1(14) . . . . ?
C16 C17 C18 C19 -4.4(15) . . . . ?
C17 C18 C19 C20 2.2(14) . . . . ?
C17 C18 C19 C21 -176.8(9) . . . . ?
C18 C19 C20 C15 -0.8(12) . . . . ?
C18 C19 C20 O5 -179.1(8) . . . . ?
C18 C19 C21 N6 176.4(8) . . . . ?
C19 C20 O5 Dy2 16.4(12) . . . . ?
C19 C21 N6 Dy2 -7.6(12) . . . . ?
C19 C21 N6 N7 179.6(7) . . . . ?
C20 C15 C16 C17 -3.7(15) . . . . ?
C20 C15 O4 C14 167.6(10) . . . . ?
C20 C19 C21 N6 -2.6(14) . . . . ?
C21 C19 C20 C15 178.1(8) . . . . ?
C21 C19 C20 O5 -0.2(13) . . . . ?
C21 N6 N7 C22 177.6(7) . . . . ?
C22 C23 C24 N9 -173.2(8) . . . . ?
C22 C23 C24 N10 4.9(14) . . . . ?
C22 C23 N8 C26 175.1(7) . . . . ?
C22 C23 N8 Dy3 -16.1(8) . . . . ?
C23 C22 N7 N6 -179.1(6) . . . . ?
C23 C22 O6 Dy2 174.3(5) . . . . ?
C23 C22 O6 Dy3 29.9(8) . . . . ?
C23 C24 N9 C25 -2.0(14) . . . . ?
C24 C23 N8 C26 -1.1(11) . . . . ?
C24 C23 N8 Dy3 167.7(6) . . . . ?
C25 C26 N8 C23 -0.9(12) . . . . ?
C25 C26 N8 Dy3 -169.0(6) . . . . ?
C26 C25 N9 C24 -0.1(15) . . . . ?
C28 C29 C30 C31 0.3(16) . . . . ?
C28 C33 O8 Dy3 144.3(6) . . . . ?
C29 C28 C33 C32 -0.2(12) . . . . ?
C29 C28 C33 O8 -179.2(8) . . . . ?
C29 C28 O7 C27 11.5(12) . . . . ?
C29 C30 C31 C32 2.0(17) . . . . ?
C30 C31 C32 C33 -3.5(15) . . . . ?
C30 C31 C32 C34 179.2(9) . . . . ?
C31 C32 C33 C28 2.5(12) . . . . ?
C31 C32 C33 O8 -178.5(8) . . . . ?
C31 C32 C34 N11 -169.6(9) . . . . ?
C32 C33 O8 Dy3 -34.7(11) . . . . ?
C32 C34 N11 Dy3 5.1(13) . . . . ?
C32 C34 N11 N12 -175.6(8) . . . . ?
C33 C28 C29 C30 -1.2(14) . . . . ?
C33 C28 O7 C27 -169.3(7) . . . . ?
C33 C32 C34 N11 13.2(14) . . . . ?
C34 C32 C33 C28 179.7(7) . . . . ?
C34 C32 C33 O8 -1.4(12) . . . . ?
C34 N11 N12 C35 178.7(7) . . . . ?
C35 C36 C37 N14 -170.2(8) . . . . ?
C35 C36 C37 N15 10.2(16) . . . . ?
C35 C36 N13 C39 172.8(7) . . . . ?
C35 C36 N13 Dy4 -11.1(9) . . . . ?
C36 C35 N12 N11 178.4(7) . . . . ?
C36 C35 O9 Dy3 -175.8(5) . . . . ?
C36 C35 O9 Dy4 24.0(8) . . . . ?
C36 C37 N14 C38 -4.5(15) . . . . ?
C37 C36 N13 C39 -6.1(12) . . . . ?
C37 C36 N13 Dy4 170.1(7) . . . . ?
C38 C39 N13 C36 -0.1(12) . . . . ?
C38 C39 N13 Dy4 -175.9(6) . . . . ?
C39 C38 N14 C37 -1.6(15) . . . . ?
C41 C42 C43 C44 -1(2) . . . . ?
C41 C46 O11 Dy4 -179.7(7) . . . . ?
C42 C41 C46 C45 -1.6(16) . . . . ?
C42 C41 C46 O11 -177.2(10) . . . . ?
C42 C41 O10 C40 -6.0(16) . . . . ?
C42 C43 C44 C45 1(2) . . . . ?
C43 C44 C45 C46 -1.2(18) . . . . ?
C43 C44 C45 C47 -175.4(12) . . . . ?
C44 C45 C46 C41 1.3(15) . . . . ?
C44 C45 C46 O11 176.8(10) . . . . ?
C44 C45 C47 N16 174.8(10) . . . . ?
C45 C46 O11 Dy4 5.0(16) . . . . ?
C45 C47 N16 Dy4 11.6(15) . . . . ?
C45 C47 N16 N17 -173.0(9) . . . . ?
C46 C41 C42 C43 1.6(19) . . . . ?
C46 C41 O10 C40 173.6(10) . . . . ?
C46 C45 C47 N16 0.9(17) . . . . ?
C47 C45 C46 C41 175.0(10) . . . . ?
C47 C45 C46 O11 -9.6(16) . . . . ?
C47 N16 N17 C48 175.8(8) . . . . ?
C48 C49 C50 N19 171.0(8) . . . . ?
C48 C49 C50 N20 -9.5(13) . . . . ?
C48 C49 N18 C52 -170.8(7) . . . . ?
C48 C49 N18 Dy1 21.5(9) . . . 2_656 ?
C49 C48 N17 N16 -174.6(7) . . . . ?
C49 C48 O12 Dy1 -32.6(9) . . . 2_656 ?
C49 C48 O12 Dy4 -178.3(5) . . . . ?
C49 C50 N19 C51 1.2(12) . . . . ?
C50 C49 N18 C52 4.4(11) . . . . ?
C50 C49 N18 Dy1 -163.3(6) . . . 2_656 ?
C51 C52 N18 C49 -2.6(12) . . . . ?
C51 C52 N18 Dy1 163.9(6) . . . 2_656 ?
C52 C51 N19 C50 0.6(14) . . . . ?
Dy1 C54 O16 Dy4 -140.6(6) . . . 2_656 ?
Dy1 C54 O17 Dy2 -126.3(6) . . . . ?
Dy1 N1 N2 C9 11.7(8) . . . . ?
Dy2 N6 N7 C22 3.8(7) . . . . ?
Dy3 C53 O13 Dy1 93(3) . . . . ?
Dy3 C53 O14 Dy2 142.4(6) . . . . ?
Dy3 C53 O15 Dy4 123.4(6) . . . . ?
Dy3 N11 N12 C35 -1.8(8) . . . . ?
Dy4 N16 N17 C48 -8.2(9) . . . . ?
N2 C9 C10 C11 14.1(12) . . . . ?
N2 C9 C10 N3 -165.8(7) . . . . ?
N2 C9 O3 Dy1 -12.6(10) . . . . ?
N2 C9 O3 Dy2 168.5(6) . . . . ?
N3 C10 C11 N4 -1.9(14) . . . . ?
N3 C10 C11 N5 -178.5(9) . . . . ?
N4 C12 C13 N3 -2.8(16) . . . . ?
N5 C11 N4 C12 -179.6(9) . . . . ?
N7 C22 C23 C24 -10.6(12) . . . . ?
N7 C22 C23 N8 173.4(7) . . . . ?
N7 C22 O6 Dy2 -6.1(9) . . . . ?
N7 C22 O6 Dy3 -150.6(6) . . . . ?
N8 C23 C24 N9 2.6(13) . . . . ?
N8 C23 C24 N10 -179.3(9) . . . . ?
N9 C25 C26 N8 1.6(15) . . . . ?
N10 C24 N9 C25 179.9(10) . . . . ?
N12 C35 C36 C37 -6.9(13) . . . . ?
N12 C35 C36 N13 174.3(7) . . . . ?
N12 C35 O9 Dy3 3.6(10) . . . . ?
N12 C35 O9 Dy4 -156.6(6) . . . . ?
N13 C36 C37 N14 8.6(14) . . . . ?
N13 C36 C37 N15 -171.0(10) . . . . ?
N14 C38 C39 N13 4.2(15) . . . . ?
N15 C37 N14 C38 175.1(10) . . . . ?
N17 C48 C49 C50 7.5(12) . . . . ?
N17 C48 C49 N18 -177.5(7) . . . . ?
N17 C48 O12 Dy1 150.0(7) . . . 2_656 ?
N17 C48 O12 Dy4 4.2(11) . . . . ?
N18 C49 C50 N19 -3.7(12) . . . . ?
N18 C49 C50 N20 175.8(8) . . . . ?
N19 C51 C52 N18 0.0(14) . . . . ?
N20 C50 N19 C51 -178.4(8) . . . . ?
O3 C9 C10 C11 -170.2(8) . . . . ?
O3 C9 C10 N3 9.9(10) . . . . ?
O3 C9 N2 N1 0.1(11) . . . . ?
O4 C15 C16 C17 177.0(9) . . . . ?
O4 C15 C20 C19 -179.1(7) . . . . ?
O4 C15 C20 O5 -0.7(11) . . . . ?
O6 C22 C23 C24 169.0(8) . . . . ?
O6 C22 C23 N8 -7.0(10) . . . . ?
O6 C22 N7 N6 1.4(10) . . . . ?
O7 C28 C29 C30 177.9(8) . . . . ?
O7 C28 C33 C32 -179.4(7) . . . . ?
O7 C28 C33 O8 1.6(10) . . . . ?
O9 C35 C36 C37 172.5(8) . . . . ?
O9 C35 C36 N13 -6.3(10) . . . . ?
O9 C35 N12 N11 -1.0(11) . . . . ?
O10 C41 C42 C43 -178.8(11) . . . . ?
O10 C41 C46 C45 178.8(9) . . . . ?
O10 C41 C46 O11 3.3(14) . . . . ?
O12 C48 C49 C50 -170.2(7) . . . . ?
O12 C48 C49 N18 4.8(11) . . . . ?
O12 C48 N17 N16 2.8(12) . . . . ?
O13 C53 O14 Dy2 -49.4(10) . . . . ?
O13 C53 O14 Dy3 168.1(6) . . . . ?
O13 C53 O15 Dy3 -169.1(6) . . . . ?
O13 C53 O15 Dy4 -45.6(10) . . . . ?
O14 C53 O13 Dy1 20.9(11) . . . . ?
O14 C53 O15 Dy3 12.0(6) . . . . ?
O14 C53 O15 Dy4 135.4(5) . . . . ?
O15 C53 O13 Dy1 -158.0(5) . . . . ?
O15 C53 O14 Dy2 129.5(5) . . . . ?
O15 C53 O14 Dy3 -12.9(6) . . . . ?
O16 C54 O17 Dy1 -11.0(6) . . . . ?
O16 C54 O17 Dy2 -137.3(5) . . . . ?
O16 C54 O18 Dy3 -27.3(10) . . . 2_656 ?
O17 C54 O16 Dy1 11.5(6) . . . . ?
O17 C54 O16 Dy4 -129.1(5) . . . 2_656 ?
O17 C54 O18 Dy3 151.8(5) . . . 2_656 ?
O18 C54 O16 Dy1 -169.3(6) . . . . ?
O18 C54 O16 Dy4 50.1(10) . . . 2_656 ?
O18 C54 O17 Dy1 169.8(6) . . . . ?
O18 C54 O17 Dy2 43.5(10) . . . . ?
O21 C2 C3 C4 179.9(9) . . . . ?
O21 C2 C7 C6 179.1(8) . . . . ?
O21 C2 C7 O2 -1.4(12) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.000 844.0 109.2 ?
2 0.000 0.500 0.500 844.0 109.2 ?
3 0.179 0.101 0.904 11.4 0.0 ?
4 0.179 0.899 0.404 11.4 0.0 ?
5 0.500 0.000 1.000 844.0 109.2 ?
6 0.500 0.000 0.500 844.0 109.2 ?
7 0.321 0.399 0.096 11.4 0.2 ?
8 0.321 0.601 0.596 11.4 0.0 ?
9 0.679 0.399 0.404 11.4 0.0 ?
10 0.679 0.601 0.904 11.4 0.0 ?
11 0.821 0.101 0.596 11.4 0.0 ?
12 0.821 0.899 0.096 11.4 0.2 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.076
_oxdiff_exptl_absorpt_empirical_full_min 0.648
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2521959'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2026-01-12 deposited with the CCDC.	2026-03-02 downloaded from the CCDC.
;
_audit_creation_date             2026-01-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C108 H104 Gd8 N40 O44'
_chemical_formula_sum            'C108 H104 Gd8 N40 O44'
_chemical_formula_weight         3924.31
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOFGd
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -8.8380 11.9157 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.5485(8)
_cell_length_b                   18.1561(4)
_cell_length_c                   28.8794(8)
_cell_angle_alpha                90
_cell_angle_beta                 118.271(3)
_cell_angle_gamma                90
_cell_volume                     15030.7(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    18669
_cell_measurement_temperature    100.00(13)
_cell_measurement_theta_max      74.1990
_cell_measurement_theta_min      3.6820
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    23.155
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52015
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.75a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear brown'
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             7584
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0871
_diffrn_reflns_av_unetI/netI     0.0429
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            82338
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        63.996
_diffrn_reflns_theta_max         63.996
_diffrn_reflns_theta_min         3.723
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(13)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -62.00 -36.00   0.50    0.50    --  -40.81  80.00 -53.00   52
  2  ω    -17.00  68.00   0.50    0.50    --   40.81 -80.00-176.00  170
  3  ω    -56.00 -30.00   0.50    0.50    --  -50.00  80.00 -53.00   52
  4  ω    103.00 167.00   0.50    1.00    --  108.87  80.00 -53.00  128
  5  ω     47.00  72.00   0.50    1.00    --  108.87 -80.00-176.00   50
  6  ω     16.00  41.00   0.50    0.50    --  -40.81  19.00  60.00   50
  7  ω     16.00  42.00   0.50    0.50    --  -40.81  19.00  30.00   52
  8  ω    -34.00   5.00   0.50    0.50    --  -40.81  80.00 -53.00   78
  9  ω     16.00  41.00   0.50    0.50    --  -40.81  19.00 -90.00   50
 10  ω     16.00  42.00   0.50    0.50    --  -40.81  19.00-180.00   52
 11  ω     16.00  41.00   0.50    0.50    --  -40.81  19.00  90.00   50
 12  ω     16.00  42.00   0.50    0.50    --  -40.81  19.00-120.00   52
 13  ω    -38.00  16.00   0.50    0.50    --   40.81 -38.00  90.00  108
 14  ω     20.00  46.00   0.50    0.50    --   40.81  63.00  42.58   52
 15  ω     22.00  48.00   0.50    0.50    --   40.81  63.00 -48.92   52
 16  ω     27.00  53.00   0.50    0.50    --   40.81  59.00  94.05   52
 17  ω     22.00  56.00   0.50    0.50    --   40.81  60.00 -63.83   68
 18  ω     20.00  45.00   0.50    0.50    --   40.81  63.00  77.02   50
 19  ω     21.00  47.00   0.50    0.50    --   40.81  63.00-105.13   52
 20  ω     20.00  46.00   0.50    0.50    --   40.81  63.00 102.86   52
 21  ω     -8.00  30.00   0.50    0.50    --  -50.00  30.00 -30.00   76
 22  ω     -6.00  21.00   0.50    0.50    --  -50.00  30.00  90.00   54
 23  ω    -59.00 -30.00   0.50    0.50    --  -50.00 -61.00  60.00   58
 24  ω     -2.00  32.00   0.50    0.50    --  -50.00  30.00   0.00   68
 25  ω    -30.00  18.00   0.50    0.50    --  -50.00  45.00  30.00   96
 26  ω     -9.00  17.00   0.50    0.50    --  -50.00  30.00-120.00   52
 27  ω     35.00 100.00   0.50    1.00    --  108.87-125.00 -30.00  130
 28  ω     37.00  70.00   0.50    1.00    --  108.87 -77.00  90.00   66
 29  ω     94.00 121.00   0.50    1.00    --  108.87  61.00-120.00   54
 30  ω     66.00 100.00   0.50    1.00    --  108.87-125.00-180.00   68
 31  ω     74.00  99.00   0.50    1.00    --  108.87-125.00 -60.00   50
 32  ω     34.00  59.00   0.50    1.00    --  108.87 -77.00 150.00   50
 33  ω    146.00 175.00   0.50    1.00    --  108.87 125.00  30.00   58
 34  ω     43.00  69.00   0.50    1.00    --  108.87-125.00 -60.00   52
 35  ω     89.00 158.00   0.50    1.00    --  108.87  30.00 -30.00  138
 36  ω    140.00 171.00   0.50    1.00    --  108.87  77.00   0.00   62
 37  ω     78.00 133.00   0.50    1.00    --  108.87  15.00 150.00  110
 38  ω    103.00 155.00   0.50    1.00    --  108.87  30.00-120.00  104
 39  ω     98.00 124.00   0.50    1.00    --  108.87  45.00  60.00   52
 40  ω     90.00 127.00   0.50    1.00    --  108.87  30.00 -90.00   74
 41  ω     99.00 131.00   0.50    1.00    --  108.87  77.00   0.00   64
 42  ω    102.00 170.00   0.50    1.00    --  108.87 125.00 -30.00  136
 43  ω     89.00 173.00   0.50    1.00    --  108.87  45.00 -90.00  168
 44  ω     95.00 149.00   0.50    1.00    --  108.87 125.00 120.00  108
 45  ω     38.00  99.00   0.50    1.00    --  108.87-125.00-150.00  122
 46  ω    103.00 135.00   0.50    1.00    --  108.87 125.00   0.00   64
 47  ω     32.00  84.00   0.50    1.00    --  108.87 -95.00  90.00  104
 48  ω    150.00 175.00   0.50    1.00    --  108.87 125.00  60.00   50
 49  ω     90.00 134.00   0.50    1.00    --  108.87 125.00  60.00   88
 50  ω     97.00 153.00   0.50    1.00    --  108.87  30.00  90.00  112
 51  ω     38.00  91.00   0.50    1.00    --  108.87 -95.00-150.00  106
 52  ω     32.00  84.00   0.50    1.00    --  108.87 -95.00  30.00  104
 53  ω     37.00  70.00   0.50    1.00    --  108.87 -77.00 -30.00   66
 54  ω    102.00 133.00   0.50    1.00    --  108.87  15.00  30.00   62
 55  ω     36.00  61.00   0.50    1.00    --  108.87-125.00-180.00   50
 56  ω     41.00  67.00   0.50    1.00    --  108.87 -77.00 120.00   52
 57  ω    128.00 161.00   0.50    1.00    --  108.87  30.00   0.00   66
 58  ω     96.00 122.00   0.50    1.00    --  108.87  30.00   0.00   52
 59  ω     32.00  82.00   0.50    1.00    --  108.87 -95.00  60.00  100
 60  ω     35.00  71.00   0.50    1.00    --  108.87 -77.00-120.00   72
 61  ω    103.00 129.00   0.50    1.00    --  108.87 125.00  30.00   52
 62  ω     39.00  70.00   0.50    1.00    --  108.87 -77.00 -60.00   62
 63  ω     64.00  90.00   0.50    1.00    --  108.87 -95.00 -90.00   52
 64  ω     89.00 162.00   0.50    1.00    --  108.87  30.00  60.00  146
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0379219000
_diffrn_orient_matrix_UB_12      -0.0305869000
_diffrn_orient_matrix_UB_13      0.0527680000
_diffrn_orient_matrix_UB_21      -0.0316180000
_diffrn_orient_matrix_UB_22      -0.0659778000
_diffrn_orient_matrix_UB_23      -0.0051029000
_diffrn_orient_matrix_UB_31      0.0212066000
_diffrn_orient_matrix_UB_32      -0.0437343000
_diffrn_orient_matrix_UB_33      -0.0292902000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8652
_reflns_number_total             12462
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.43.75a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.43.75a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.43.75a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.500
_refine_diff_density_min         -0.778
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     910
_refine_ls_number_reflns         12462
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0531
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0865P)²+22.4158P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1394
_refine_ls_wR_factor_ref         0.1522
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 H40B-H42
 2.2 with sigma of 0.02
 Gd3-H3WA \\sim Gd3-H3WB
 with sigma of 0.02
 Gd4-H4WA \\sim Gd4-H4WB
 with sigma of 0.02
 Gd2-H2WA \\sim Gd2-H2WB
 with sigma of 0.02
3.a Riding coordinates:
 C40(H40A,H40B,H40C), O1W(H1WA,H1WB), O3W(H3WA,H3WB)
3.b Free rotating group:
 O2W(H2WA,H2WB), O4W(H4WA,H4WB)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C11(H11), C12(H12), C16(H16), C17(H17),
 C18(H18), C21(H21), C24(H24), C25(H25), C29(H29), C30(H30), C31(H31), C34(H34),
  C37(H37), C38(H38), C42(H42), C43(H43), C44(H44), C47(H47), C50(H50), C51(H51)
3.d X=CH2 refined with riding coordinates:
 N5(H5A,H5B), N10(H10A,H10B), N15(H15A,H15B), N20(H20A,H20B)
3.e Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C14(H14A,H14B,H14C), C27(H27A,H27B,H27C)
;
_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
C1 C 0.4541(4) 1.0879(5) 0.1525(4) 0.089(3) Uani 1 1 d . . . . .
H1A H 0.459893 1.062763 0.126153 0.134 Uiso 1 1 calc R U . . .
H1B H 0.480533 1.120168 0.173893 0.134 Uiso 1 1 calc R U . . .
H1C H 0.425599 1.117475 0.134843 0.134 Uiso 1 1 calc R U . . .
C2 C 0.4342(3) 1.0558(5) 0.2211(4) 0.075(3) Uani 1 1 d . . . . .
C3 C 0.4308(4) 1.1268(6) 0.2335(5) 0.090(3) Uani 1 1 d . . . . .
H3 H 0.437956 1.165856 0.216550 0.108 Uiso 1 1 calc R U . . .
C4 C 0.4167(5) 1.1424(6) 0.2715(6) 0.101(4) Uani 1 1 d . . . . .
H4 H 0.414087 1.192108 0.279993 0.121 Uiso 1 1 calc R U . . .
C5 C 0.4066(4) 1.0861(7) 0.2965(5) 0.097(4) Uani 1 1 d . . . . .
H5 H 0.398733 1.096970 0.323579 0.117 Uiso 1 1 calc R U . . .
C6 C 0.4079(3) 1.0102(6) 0.2815(4) 0.076(3) Uani 1 1 d . . . . .
C7 C 0.4229(3) 0.9940(5) 0.2442(4) 0.063(2) Uani 1 1 d . . . . .
C8 C 0.3962(3) 0.9548(6) 0.3084(4) 0.075(3) Uani 1 1 d . . . . .
H8 H 0.393972 0.970409 0.338543 0.089 Uiso 1 1 calc R U . . .
C9 C 0.3748(3) 0.7749(6) 0.3208(4) 0.066(2) Uani 1 1 d . . . . .
C10 C 0.3653(3) 0.7220(7) 0.3544(4) 0.073(3) Uani 1 1 d . . . . .
C11 C 0.3500(3) 0.6045(6) 0.3667(4) 0.081(3) Uani 1 1 d . . . . .
H11 H 0.349487 0.553857 0.358210 0.097 Uiso 1 1 calc R U . . .
C12 C 0.3366(4) 0.6248(8) 0.4044(5) 0.096(4) Uani 1 1 d . . . . .
H12 H 0.325107 0.588870 0.419350 0.115 Uiso 1 1 calc R U . . .
C13 C 0.3566(4) 0.7444(7) 0.3961(5) 0.094(4) Uani 1 1 d . . . . .
C14 C 0.4925(6) 0.8049(7) 0.5458(7) 0.136(6) Uani 1 1 d . . . . .
H14A H 0.471834 0.847834 0.534728 0.204 Uiso 1 1 calc R U . . .
H14B H 0.510620 0.804060 0.584263 0.204 Uiso 1 1 calc R U . . .
H14C H 0.473855 0.759821 0.533566 0.204 Uiso 1 1 calc R U . . .
C15 C 0.5427(4) 0.8796(7) 0.5282(4) 0.080(3) Uani 1 1 d . . . . .
C16 C 0.5384(4) 0.9335(7) 0.5568(5) 0.086(3) Uani 1 1 d . . . . .
H16 H 0.523044 0.923815 0.577088 0.103 Uiso 1 1 calc R U . . .
C17 C 0.5549(5) 1.0003(9) 0.5576(4) 0.111(5) Uani 1 1 d . . . . .
H17 H 0.548923 1.039198 0.575552 0.133 Uiso 1 1 calc R U . . .
C18 C 0.5809(4) 1.0131(7) 0.5322(5) 0.100(4) Uani 1 1 d . . . . .
H18 H 0.595144 1.059821 0.535538 0.121 Uiso 1 1 calc R U . . .
C19 C 0.5867(4) 0.9580(6) 0.5014(4) 0.074(3) Uani 1 1 d . . . . .
C20 C 0.5670(3) 0.8877(6) 0.4984(4) 0.069(2) Uani 1 1 d . . . . .
C21 C 0.6124(3) 0.9787(5) 0.4732(4) 0.071(3) Uani 1 1 d . . . . .
H21 H 0.625623 1.026737 0.479961 0.085 Uiso 1 1 calc R U . . .
C22 C 0.6506(3) 0.9362(5) 0.3858(4) 0.067(2) Uani 1 1 d . . . . .
C23 C 0.6769(3) 0.9668(5) 0.3612(4) 0.067(2) Uani 1 1 d . . . . .
C24 C 0.7029(3) 0.9486(6) 0.3001(4) 0.081(3) Uani 1 1 d . . . . .
H24 H 0.702593 0.920996 0.271928 0.097 Uiso 1 1 calc R U . . .
C25 C 0.7288(4) 1.0089(7) 0.3167(6) 0.101(4) Uani 1 1 d . . . . .
H25 H 0.747425 1.021528 0.300703 0.122 Uiso 1 1 calc R U . . .
C26 C 0.7041(4) 1.0308(7) 0.3772(5) 0.093(3) Uani 1 1 d . . . . .
C27 C 0.4362(5) 0.3450(6) 0.2595(6) 0.118(5) Uani 1 1 d . . . . .
H27A H 0.410303 0.366159 0.227929 0.176 Uiso 1 1 calc R U . . .
H27B H 0.424622 0.327834 0.283408 0.176 Uiso 1 1 calc R U . . .
H27C H 0.449489 0.303387 0.249509 0.176 Uiso 1 1 calc R U . . .
C28 C 0.5097(4) 0.3788(5) 0.3269(5) 0.081(3) Uani 1 1 d . . . . .
C29 C 0.5225(5) 0.3065(6) 0.3436(5) 0.087(3) Uani 1 1 d . . . . .
H29 H 0.502211 0.267242 0.324559 0.105 Uiso 1 1 calc R U . . .
C30 C 0.5645(5) 0.2911(6) 0.3876(6) 0.105(4) Uani 1 1 d . . . . .
H30 H 0.573026 0.241164 0.397111 0.126 Uiso 1 1 calc R U . . .
C31 C 0.5945(5) 0.3463(6) 0.4182(5) 0.100(4) Uani 1 1 d . . . . .
H31 H 0.622873 0.334684 0.448681 0.120 Uiso 1 1 calc R U . . .
C32 C 0.5815(4) 0.4213(5) 0.4027(4) 0.073(3) Uani 1 1 d . . . . .
C33 C 0.5397(4) 0.4390(5) 0.3570(4) 0.071(3) Uani 1 1 d . . . . .
C34 C 0.6144(4) 0.4781(6) 0.4365(4) 0.083(3) Uani 1 1 d . . . . .
H34 H 0.644514 0.462307 0.462203 0.100 Uiso 1 1 calc R U . . .
C35 C 0.6370(3) 0.6582(6) 0.4636(4) 0.068(2) Uani 1 1 d . . . . .
C36 C 0.6750(3) 0.7093(6) 0.4950(4) 0.069(2) Uani 1 1 d . . . . .
C37 C 0.7034(3) 0.8276(6) 0.5056(4) 0.080(3) Uani 1 1 d . . . . .
H37 H 0.700996 0.876754 0.493216 0.096 Uiso 1 1 calc R U . . .
C38 C 0.7431(4) 0.8063(7) 0.5508(4) 0.090(3) Uani 1 1 d . . . . .
H38 H 0.766255 0.842139 0.569777 0.107 Uiso 1 1 calc R U . . .
C39 C 0.7175(3) 0.6856(6) 0.5408(4) 0.075(3) Uani 1 1 d . . . . .
C40 C 0.8169(5) 0.6588(10) 0.3893(7) 0.210(10) Uani 1 1 d . . . . .
H40A H 0.818136 0.710056 0.400411 0.316 Uiso 1 1 d R U . . .
H40B H 0.836536 0.652976 0.372161 0.316 Uiso 1 1 d DR U . . .
H40C H 0.828416 0.626386 0.420041 0.316 Uiso 1 1 d R U . . .
C41 C 0.7635(4) 0.5703(8) 0.3344(4) 0.091(3) Uani 1 1 d . . . . .
C42 C 0.7993(4) 0.5205(9) 0.3515(5) 0.122(5) Uani 1 1 d . . . . .
H42 H 0.830134 0.533161 0.377005 0.146 Uiso 1 1 calc DR U . . .
C43 C 0.7882(5) 0.4507(10) 0.3297(6) 0.134(6) Uani 1 1 d . . . . .
H43 H 0.812249 0.414768 0.342206 0.161 Uiso 1 1 calc R U . . .
C44 C 0.7463(5) 0.4307(8) 0.2927(5) 0.117(5) Uani 1 1 d . . . . .
H44 H 0.740935 0.382164 0.278873 0.140 Uiso 1 1 calc R U . . .
C45 C 0.7095(4) 0.4835(8) 0.2740(5) 0.094(4) Uani 1 1 d . . . . .
C46 C 0.7179(4) 0.5556(7) 0.2954(4) 0.087(3) Uani 1 1 d . . . . .
C47 C 0.6654(4) 0.4594(6) 0.2309(5) 0.093(4) Uani 1 1 d . . . . .
H47 H 0.664163 0.409250 0.220950 0.112 Uiso 1 1 calc R U . . .
C48 C 0.5562(3) 0.4981(5) 0.1332(4) 0.072(3) Uani 1 1 d . . . . .
C49 C 0.5196(4) 0.4670(5) 0.0849(4) 0.071(2) Uani 1 1 d . . . . .
C50 C 0.4503(4) 0.4914(6) 0.0119(4) 0.075(3) Uani 1 1 d . . . . .
H50 H 0.424147 0.522297 -0.007645 0.090 Uiso 1 1 calc R U . . .
C51 C 0.4544(4) 0.4279(6) -0.0086(4) 0.076(3) Uani 1 1 d . . . . .
H51 H 0.430555 0.415316 -0.042798 0.091 Uiso 1 1 calc R U . . .
C52 C 0.5217(4) 0.3991(5) 0.0619(4) 0.068(2) Uani 1 1 d . . . . .
C53 C 0.4801(3) 0.7437(5) 0.3197(4) 0.056(2) Uani 1 1 d . . . . .
C54 C 0.5832(3) 0.6900(5) 0.3160(3) 0.060(2) Uani 1 1 d . . . . .
Gd1 Gd 0.38694(2) 0.82099(3) 0.21808(2) 0.05470(15) Uani 1 1 d . . . . .
Gd2 Gd 0.58543(2) 0.81588(3) 0.40320(2) 0.05424(15) Uani 1 1 d D . . . .
Gd3 Gd 0.52877(2) 0.61520(3) 0.38129(2) 0.05789(16) Uani 1 1 d D . . . .
Gd4 Gd 0.60754(2) 0.61952(3) 0.22506(2) 0.06382(17) Uani 1 1 d D . . . .
N1 N 0.3883(3) 0.8867(4) 0.2964(3) 0.0651(19) Uani 1 1 d . . . . .
N2 N 0.3807(3) 0.8447(5) 0.3329(3) 0.074(2) Uani 1 1 d . . . . .
N3 N 0.3633(3) 0.6534(5) 0.3423(3) 0.075(2) Uani 1 1 d . . . . .
N4 N 0.3401(4) 0.6950(6) 0.4192(4) 0.101(3) Uani 1 1 d . . . . .
N5 N 0.3631(5) 0.8119(6) 0.4155(5) 0.127(4) Uani 1 1 d . . . . .
H5A H 0.356876 0.822102 0.441366 0.153 Uiso 1 1 calc R U . . .
H5B H 0.373633 0.846617 0.402652 0.153 Uiso 1 1 calc R U . . .
N6 N 0.6192(3) 0.9393(4) 0.4406(3) 0.0662(19) Uani 1 1 d . . . . .
N7 N 0.6452(3) 0.9752(4) 0.4205(3) 0.067(2) Uani 1 1 d . . . . .
N8 N 0.6773(2) 0.9261(4) 0.3224(3) 0.066(2) Uani 1 1 d . . . . .
N9 N 0.7304(4) 1.0530(6) 0.3542(4) 0.106(3) Uani 1 1 d . . . . .
N10 N 0.7039(4) 1.0752(5) 0.4136(4) 0.125(4) Uani 1 1 d . . . . .
H10A H 0.720179 1.116339 0.421748 0.151 Uiso 1 1 calc R U . . .
H10B H 0.687587 1.063563 0.429608 0.151 Uiso 1 1 calc R U . . .
N11 N 0.6053(3) 0.5482(4) 0.4337(3) 0.070(2) Uani 1 1 d . . . . .
N12 N 0.6453(3) 0.5878(4) 0.4704(3) 0.073(2) Uani 1 1 d . . . . .
N13 N 0.6689(2) 0.7807(4) 0.4793(3) 0.068(2) Uani 1 1 d . . . . .
N14 N 0.7498(3) 0.7369(5) 0.5686(3) 0.088(3) Uani 1 1 d . . . . .
N15 N 0.7239(3) 0.6191(5) 0.5585(4) 0.104(3) Uani 1 1 d . . . . .
H15A H 0.748948 0.607956 0.588040 0.125 Uiso 1 1 calc R U . . .
H15B H 0.703233 0.584766 0.540968 0.125 Uiso 1 1 calc R U . . .
N16 N 0.6276(3) 0.4965(5) 0.2043(4) 0.080(2) Uani 1 1 d . . . . .
N17 N 0.5935(3) 0.4579(4) 0.1611(4) 0.078(2) Uani 1 1 d . . . . .
N18 N 0.4828(3) 0.5120(4) 0.0597(3) 0.066(2) Uani 1 1 d . . . . .
N19 N 0.4893(3) 0.3813(4) 0.0154(4) 0.076(2) Uani 1 1 d . . . . .
N20 N 0.5565(3) 0.3528(5) 0.0872(4) 0.091(3) Uani 1 1 d . . . . .
H20A H 0.557449 0.310897 0.072490 0.109 Uiso 1 1 calc R U . . .
H20B H 0.578855 0.363907 0.118894 0.109 Uiso 1 1 calc R U . . .
O1 O 0.37585(18) 0.7459(3) 0.2801(2) 0.0597(14) Uani 1 1 d . . . . .
O1W O 0.30807(19) 0.7667(3) 0.1755(2) 0.0719(17) Uani 1 1 d . . . . .
H1WA H 0.295705 0.772220 0.141588 0.108 Uiso 1 1 d R U . . .
H1WB H 0.310275 0.719180 0.180219 0.108 Uiso 1 1 d R U . . .
O2 O 0.42640(18) 0.9287(3) 0.2307(2) 0.0555(13) Uani 1 1 d . . . . .
O2W O 0.52986(19) 0.8978(3) 0.3402(2) 0.0580(14) Uani 1 1 d G . . . .
H2WA H 0.505985 0.875093 0.315518 0.087 Uiso 1 1 d DG U . . .
H2WB H 0.541356 0.923324 0.323541 0.087 Uiso 1 1 d DG U . . .
O3 O 0.4486(2) 1.0338(3) 0.1861(3) 0.0708(16) Uani 1 1 d . . . . .
O3W O 0.5258(3) 0.6747(3) 0.4543(3) 0.086(2) Uani 1 1 d . . . . .
H3WA H 0.501810 0.665561 0.458993 0.129 Uiso 1 1 d DR U . . .
H3WB H 0.528520 0.722391 0.456223 0.129 Uiso 1 1 d DR U . . .
O4 O 0.5235(3) 0.8091(4) 0.5239(3) 0.088(2) Uani 1 1 d . . . . .
O4W O 0.5707(2) 0.5357(3) 0.2593(3) 0.0699(17) Uani 1 1 d G . . . .
H4WA H 0.560718 0.552986 0.280228 0.105 Uiso 1 1 d DG U . . .
H4WB H 0.547824 0.508603 0.236919 0.105 Uiso 1 1 d DG U . . .
O5 O 0.5702(2) 0.8323(3) 0.4704(2) 0.0660(15) Uani 1 1 d . . . . .
O6 O 0.63453(19) 0.8685(3) 0.3714(2) 0.0603(14) Uani 1 1 d . . . . .
O7 O 0.4712(3) 0.3996(4) 0.2852(3) 0.086(2) Uani 1 1 d . . . . .
O8 O 0.5258(2) 0.5062(3) 0.3418(3) 0.0715(17) Uani 1 1 d . . . . .
O9 O 0.5982(2) 0.6900(3) 0.4288(2) 0.0634(15) Uani 1 1 d . . . . .
O10 O 0.7697(3) 0.6397(6) 0.3534(3) 0.116(3) Uani 1 1 d . . . . .
O11 O 0.6848(2) 0.6048(4) 0.2804(3) 0.087(2) Uani 1 1 d . . . . .
O12 O 0.5509(2) 0.5658(3) 0.1455(2) 0.0667(16) Uani 1 1 d . . . . .
O13 O 0.46253(18) 0.7964(3) 0.2882(2) 0.0550(13) Uani 1 1 d . . . . .
O14 O 0.51472(18) 0.7509(3) 0.3665(2) 0.0565(14) Uani 1 1 d . . . . .
O15 O 0.46563(19) 0.6764(3) 0.3084(2) 0.0608(15) Uani 1 1 d . . . . .
O16 O 0.57854(19) 0.7577(3) 0.3279(2) 0.0571(14) Uani 1 1 d . . . . .
O17 O 0.5619(2) 0.6364(3) 0.3236(2) 0.0602(14) Uani 1 1 d . . . . .
O18 O 0.60983(19) 0.6812(3) 0.2961(2) 0.0609(15) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 O3 1.449(10) . ?
C2 C3 1.356(13) . ?
C2 C7 1.441(13) . ?
C2 O3 1.361(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.405(16) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(16) . ?
C5 H5 0.9500 . ?
C5 C6 1.452(14) . ?
C6 C7 1.408(13) . ?
C6 C8 1.429(14) . ?
C7 O2 1.269(10) . ?
C8 H8 0.9500 . ?
C8 N1 1.277(11) . ?
C9 C10 1.498(13) . ?
C9 N2 1.304(12) . ?
C9 O1 1.303(11) . ?
C10 C13 1.420(14) . ?
C10 N3 1.288(13) . ?
C11 H11 0.9500 . ?
C11 C12 1.403(15) . ?
C11 N3 1.328(12) . ?
C12 H12 0.9500 . ?
C12 N4 1.332(14) . ?
C13 N4 1.369(14) . ?
C13 N5 1.322(13) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14 O4 1.423(13) . ?
C15 C16 1.330(14) . ?
C15 C20 1.426(14) . ?
C15 O4 1.404(13) . ?
C16 H16 0.9500 . ?
C16 C17 1.323(17) . ?
C17 H17 0.9500 . ?
C17 C18 1.374(18) . ?
C18 H18 0.9500 . ?
C18 C19 1.411(14) . ?
C19 C20 1.411(13) . ?
C19 C21 1.467(14) . ?
C20 O5 1.324(11) . ?
C21 H21 0.9500 . ?
C21 N6 1.282(11) . ?
C22 C23 1.454(13) . ?
C22 N7 1.307(12) . ?
C22 O6 1.323(10) . ?
C23 C26 1.401(13) . ?
C23 N8 1.347(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.325(15) . ?
C24 N8 1.338(12) . ?
C25 H25 0.9500 . ?
C25 N9 1.325(16) . ?
C26 N9 1.370(15) . ?
C26 N10 1.326(15) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C27 O7 1.426(12) . ?
C28 C29 1.393(14) . ?
C28 C33 1.449(14) . ?
C28 O7 1.318(13) . ?
C29 H29 0.9500 . ?
C29 C30 1.384(17) . ?
C30 H30 0.9500 . ?
C30 C31 1.385(17) . ?
C31 H31 0.9500 . ?
C31 C32 1.434(14) . ?
C32 C33 1.412(14) . ?
C32 C34 1.475(14) . ?
C33 O8 1.302(11) . ?
C34 H34 0.9500 . ?
C34 N11 1.301(12) . ?
C35 C36 1.467(13) . ?
C35 N12 1.302(12) . ?
C35 O9 1.317(10) . ?
C36 C39 1.455(12) . ?
C36 N13 1.357(12) . ?
C37 H37 0.9500 . ?
C37 C38 1.387(14) . ?
C37 N13 1.325(11) . ?
C38 H38 0.9500 . ?
C38 N14 1.339(13) . ?
C39 N14 1.347(13) . ?
C39 N15 1.290(12) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9802 . ?
C40 H40C 0.9800 . ?
C40 O10 1.431(15) . ?
C41 C42 1.368(15) . ?
C41 C46 1.401(15) . ?
C41 O10 1.350(14) . ?
C42 H42 0.9500 . ?
C42 C43 1.384(19) . ?
C43 H43 0.9500 . ?
C43 C44 1.323(19) . ?
C44 H44 0.9500 . ?
C44 C45 1.426(15) . ?
C45 C46 1.420(16) . ?
C45 C47 1.452(16) . ?
C46 O11 1.304(11) . ?
C47 H47 0.9500 . ?
C47 N16 1.287(12) . ?
C48 C49 1.452(14) . ?
C48 N17 1.314(12) . ?
C48 O12 1.314(10) . ?
C49 C52 1.416(13) . ?
C49 N18 1.346(12) . ?
C50 H50 0.9500 . ?
C50 C51 1.331(13) . ?
C50 N18 1.334(12) . ?
C51 H51 0.9500 . ?
C51 N19 1.321(13) . ?
C52 N19 1.297(12) . ?
C52 N20 1.319(13) . ?
C53 Gd3 2.907(9) . ?
C53 O13 1.256(10) . ?
C53 O14 1.293(10) . ?
C53 O15 1.295(9) . ?
C54 Gd1 2.912(10) 2_655 ?
C54 O16 1.305(10) . ?
C54 O17 1.273(10) . ?
C54 O18 1.258(10) . ?
Gd1 Gd2 4.0087(7) 2_655 ?
Gd1 Gd4 3.9786(7) 2_655 ?
Gd1 N1 2.539(7) . ?
Gd1 N8 2.658(7) 2_655 ?
Gd1 O1 2.410(6) . ?
Gd1 O1W 2.466(5) . ?
Gd1 O2 2.272(5) . ?
Gd1 O6 2.490(6) 2_655 ?
Gd1 O13 2.373(5) . ?
Gd1 O16 2.400(6) 2_655 ?
Gd1 O18 2.580(6) 2_655 ?
Gd2 Gd3 3.9965(7) . ?
Gd2 N6 2.505(7) . ?
Gd2 N13 2.639(7) . ?
Gd2 O2W 2.382(6) . ?
Gd2 O5 2.239(6) . ?
Gd2 O6 2.387(6) . ?
Gd2 O9 2.377(5) . ?
Gd2 O14 2.346(5) . ?
Gd2 O16 2.331(5) . ?
Gd3 Gd4 4.0270(7) 2_655 ?
Gd3 N11 2.530(8) . ?
Gd3 N18 2.677(7) 2_655 ?
Gd3 O3W 2.412(7) . ?
Gd3 O8 2.263(6) . ?
Gd3 O9 2.430(6) . ?
Gd3 O12 2.495(6) 2_655 ?
Gd3 O14 2.505(5) . ?
Gd3 O15 2.407(5) . ?
Gd3 O17 2.404(6) . ?
Gd4 N3 2.608(9) 2_655 ?
Gd4 N16 2.480(8) . ?
Gd4 O1 2.378(6) 2_655 ?
Gd4 O4W 2.419(6) . ?
Gd4 O11 2.267(6) . ?
Gd4 O12 2.371(6) . ?
Gd4 O15 2.343(5) 2_655 ?
Gd4 O18 2.306(6) . ?
N1 N2 1.415(11) . ?
N5 H5A 0.8800 . ?
N5 H5B 0.8800 . ?
N6 N7 1.393(10) . ?
N10 H10A 0.8800 . ?
N10 H10B 0.8800 . ?
N11 N12 1.424(11) . ?
N15 H15A 0.8800 . ?
N15 H15B 0.8800 . ?
N16 N17 1.404(12) . ?
N20 H20A 0.8800 . ?
N20 H20B 0.8800 . ?
O1W H1WA 0.8704 . ?
O1W H1WB 0.8717 . ?
O2W H2WA 0.8699 . ?
O2W H2WB 0.8699 . ?
O3W H3WA 0.8693 . ?
O3W H3WB 0.8698 . ?
O4W H4WA 0.8699 . ?
O4W H4WB 0.8701 . ?

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
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O3 C1 H1A 109.5 . . ?
O3 C1 H1B 109.5 . . ?
O3 C1 H1C 109.5 . . ?
C3 C2 C7 123.3(11) . . ?
C3 C2 O3 125.1(10) . . ?
O3 C2 C7 111.6(8) . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.7(11) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.6(10) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(11) . . ?
C6 C5 H5 120.1 . . ?
C7 C6 C5 119.9(10) . . ?
C7 C6 C8 123.2(9) . . ?
C8 C6 C5 116.8(10) . . ?
C6 C7 C2 116.6(9) . . ?
O2 C7 C2 120.5(9) . . ?
O2 C7 C6 122.9(9) . . ?
C6 C8 H8 116.4 . . ?
N1 C8 C6 127.2(10) . . ?
N1 C8 H8 116.4 . . ?
N2 C9 C10 119.9(9) . . ?
O1 C9 C10 115.3(9) . . ?
O1 C9 N2 124.8(9) . . ?
C13 C10 C9 123.4(11) . . ?
N3 C10 C9 116.2(9) . . ?
N3 C10 C13 120.3(10) . . ?
C12 C11 H11 118.7 . . ?
N3 C11 H11 118.7 . . ?
N3 C11 C12 122.6(11) . . ?
C11 C12 H12 120.4 . . ?
N4 C12 C11 119.2(11) . . ?
N4 C12 H12 120.4 . . ?
N4 C13 C10 120.4(10) . . ?
N5 C13 C10 124.7(11) . . ?
N5 C13 N4 114.9(11) . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
C16 C15 C20 123.4(11) . . ?
C16 C15 O4 123.5(10) . . ?
O4 C15 C20 113.1(9) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 C15 121.6(12) . . ?
C17 C16 H16 119.2 . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.6(12) . . ?
C18 C17 H17 120.2 . . ?
C17 C18 H18 119.5 . . ?
C17 C18 C19 121.1(13) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 C21 116.8(11) . . ?
C20 C19 C18 119.2(11) . . ?
C20 C19 C21 124.0(9) . . ?
C19 C20 C15 114.9(10) . . ?
O5 C20 C15 121.0(9) . . ?
O5 C20 C19 124.1(9) . . ?
C19 C21 H21 116.4 . . ?
N6 C21 C19 127.3(9) . . ?
N6 C21 H21 116.4 . . ?
N7 C22 C23 119.4(9) . . ?
N7 C22 O6 124.5(9) . . ?
O6 C22 C23 116.1(9) . . ?
C26 C23 C22 125.6(10) . . ?
N8 C23 C22 115.8(8) . . ?
N8 C23 C26 118.3(10) . . ?
C25 C24 H24 119.7 . . ?
C25 C24 N8 120.7(12) . . ?
N8 C24 H24 119.7 . . ?
C24 C25 H25 117.7 . . ?
C24 C25 N9 124.7(12) . . ?
N9 C25 H25 117.7 . . ?
N9 C26 C23 121.8(12) . . ?
N10 C26 C23 121.8(11) . . ?
N10 C26 N9 116.4(11) . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O7 C27 H27A 109.5 . . ?
O7 C27 H27B 109.5 . . ?
O7 C27 H27C 109.5 . . ?
C29 C28 C33 119.8(12) . . ?
O7 C28 C29 125.9(10) . . ?
O7 C28 C33 114.2(9) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 C28 120.8(11) . . ?
C30 C29 H29 119.6 . . ?
C29 C30 H30 119.0 . . ?
C31 C30 C29 122.1(11) . . ?
C31 C30 H30 119.0 . . ?
C30 C31 H31 120.9 . . ?
C30 C31 C32 118.2(12) . . ?
C32 C31 H31 120.9 . . ?
C31 C32 C34 116.2(10) . . ?
C33 C32 C31 121.4(10) . . ?
C33 C32 C34 122.4(9) . . ?
C32 C33 C28 117.7(9) . . ?
O8 C33 C28 118.4(10) . . ?
O8 C33 C32 123.8(9) . . ?
C32 C34 H34 117.7 . . ?
N11 C34 C32 124.7(10) . . ?
N11 C34 H34 117.7 . . ?
N12 C35 C36 118.3(9) . . ?
N12 C35 O9 126.9(9) . . ?
O9 C35 C36 114.6(8) . . ?
C39 C36 C35 122.4(9) . . ?
N13 C36 C35 116.8(8) . . ?
N13 C36 C39 120.8(9) . . ?
C38 C37 H37 119.4 . . ?
N13 C37 H37 119.4 . . ?
N13 C37 C38 121.2(10) . . ?
C37 C38 H38 118.8 . . ?
N14 C38 C37 122.3(10) . . ?
N14 C38 H38 118.8 . . ?
N14 C39 C36 118.4(10) . . ?
N15 C39 C36 122.8(10) . . ?
N15 C39 N14 118.6(9) . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O10 C40 H40A 109.3 . . ?
O10 C40 H40B 110.0 . . ?
O10 C40 H40C 109.2 . . ?
C42 C41 C46 124.2(14) . . ?
O10 C41 C42 122.2(11) . . ?
O10 C41 C46 113.6(10) . . ?
C41 C42 H42 121.7 . . ?
C41 C42 C43 116.5(13) . . ?
C43 C42 H42 121.7 . . ?
C42 C43 H43 117.8 . . ?
C44 C43 C42 124.4(13) . . ?
C44 C43 H43 117.8 . . ?
C43 C44 H44 120.6 . . ?
C43 C44 C45 118.8(14) . . ?
C45 C44 H44 120.6 . . ?
C44 C45 C46 120.0(12) . . ?
C44 C45 C47 115.8(12) . . ?
C46 C45 C47 124.0(10) . . ?
C41 C46 C45 116.0(10) . . ?
O11 C46 C41 122.2(12) . . ?
O11 C46 C45 121.9(10) . . ?
C45 C47 H47 115.5 . . ?
N16 C47 C45 129.1(11) . . ?
N16 C47 H47 115.5 . . ?
N17 C48 C49 118.2(9) . . ?
O12 C48 C49 118.0(8) . . ?
O12 C48 N17 123.8(10) . . ?
C52 C49 C48 126.0(9) . . ?
N18 C49 C48 113.5(8) . . ?
N18 C49 C52 120.2(9) . . ?
C51 C50 H50 119.8 . . ?
C51 C50 N18 120.4(10) . . ?
N18 C50 H50 119.8 . . ?
C50 C51 H51 117.8 . . ?
N19 C51 C50 124.3(10) . . ?
N19 C51 H51 117.8 . . ?
N19 C52 C49 120.4(9) . . ?
N19 C52 N20 118.6(9) . . ?
N20 C52 C49 120.9(10) . . ?
O13 C53 Gd3 169.8(6) . . ?
O13 C53 O14 123.5(8) . . ?
O13 C53 O15 123.5(8) . . ?
O14 C53 Gd3 59.2(4) . . ?
O14 C53 O15 113.0(8) . . ?
O15 C53 Gd3 54.8(4) . . ?
O16 C54 Gd1 54.4(4) . 2_655 ?
O17 C54 Gd1 168.4(6) . 2_655 ?
O17 C54 O16 122.3(8) . . ?
O18 C54 Gd1 62.3(5) . 2_655 ?
O18 C54 O16 115.5(8) . . ?
O18 C54 O17 122.2(9) . . ?
C54 Gd1 Gd2 55.72(18) 2_655 2_655 ?
C54 Gd1 Gd4 55.35(18) 2_655 2_655 ?
Gd4 Gd1 Gd2 110.755(16) 2_655 2_655 ?
N1 Gd1 C54 144.8(2) . 2_655 ?
N1 Gd1 Gd2 150.78(18) . 2_655 ?
N1 Gd1 Gd4 94.93(18) . 2_655 ?
N1 Gd1 N8 74.5(2) . 2_655 ?
N1 Gd1 O18 128.2(2) . 2_655 ?
N8 Gd1 C54 139.2(2) 2_655 2_655 ?
N8 Gd1 Gd2 95.00(19) 2_655 2_655 ?
N8 Gd1 Gd4 135.57(17) 2_655 2_655 ?
O1 Gd1 C54 88.9(2) . 2_655 ?
O1 Gd1 Gd2 144.16(14) . 2_655 ?
O1 Gd1 Gd4 33.55(14) . 2_655 ?
O1 Gd1 N1 63.2(2) . . ?
O1 Gd1 N8 111.7(2) . 2_655 ?
O1 Gd1 O1W 69.98(19) . . ?
O1 Gd1 O6 154.14(18) . 2_655 ?
O1 Gd1 O18 66.0(2) . 2_655 ?
O1W Gd1 C54 86.6(2) . 2_655 ?
O1W Gd1 Gd2 99.57(15) . 2_655 ?
O1W Gd1 Gd4 70.81(15) . 2_655 ?
O1W Gd1 N1 101.9(2) . . ?
O1W Gd1 N8 69.6(2) . 2_655 ?
O1W Gd1 O6 84.64(19) . 2_655 ?
O1W Gd1 O18 68.84(19) . 2_655 ?
O2 Gd1 C54 120.2(2) . 2_655 ?
O2 Gd1 Gd2 79.44(14) . 2_655 ?
O2 Gd1 Gd4 144.42(14) . 2_655 ?
O2 Gd1 N1 71.5(2) . . ?
O2 Gd1 N8 73.7(2) . 2_655 ?
O2 Gd1 O1 129.76(19) . . ?
O2 Gd1 O1W 143.1(2) . . ?
O2 Gd1 O6 74.24(19) . 2_655 ?
O2 Gd1 O13 75.27(19) . . ?
O2 Gd1 O16 97.11(19) . 2_655 ?
O2 Gd1 O18 144.04(18) . 2_655 ?
O6 Gd1 C54 84.6(2) 2_655 2_655 ?
O6 Gd1 Gd2 33.88(13) 2_655 2_655 ?
O6 Gd1 Gd4 133.01(13) 2_655 2_655 ?
O6 Gd1 N1 129.8(2) 2_655 . ?
O6 Gd1 N8 61.3(2) 2_655 2_655 ?
O6 Gd1 O18 100.87(19) 2_655 2_655 ?
O13 Gd1 C54 76.0(2) . 2_655 ?
O13 Gd1 Gd2 99.80(14) . 2_655 ?
O13 Gd1 Gd4 69.47(13) . 2_655 ?
O13 Gd1 N1 75.8(2) . . ?
O13 Gd1 N8 142.4(2) . 2_655 ?
O13 Gd1 O1 73.70(18) . . ?
O13 Gd1 O1W 139.8(2) . . ?
O13 Gd1 O6 128.20(18) . 2_655 ?
O13 Gd1 O16 79.30(19) . 2_655 ?
O13 Gd1 O18 81.18(18) . 2_655 ?
O16 Gd1 C54 26.2(2) 2_655 2_655 ?
O16 Gd1 Gd2 31.55(13) 2_655 2_655 ?
O16 Gd1 Gd4 81.19(14) 2_655 2_655 ?
O16 Gd1 N1 154.5(2) 2_655 . ?
O16 Gd1 N8 125.2(2) 2_655 2_655 ?
O16 Gd1 O1 114.5(2) 2_655 . ?
O16 Gd1 O1W 100.5(2) 2_655 . ?
O16 Gd1 O6 64.28(18) 2_655 2_655 ?
O16 Gd1 O18 51.45(19) 2_655 2_655 ?
O18 Gd1 C54 25.6(2) 2_655 2_655 ?
O18 Gd1 Gd2 78.24(14) 2_655 2_655 ?
O18 Gd1 Gd4 33.27(14) 2_655 2_655 ?
O18 Gd1 N8 136.0(2) 2_655 2_655 ?
Gd3 Gd2 Gd1 99.236(15) . 2_655 ?
N6 Gd2 Gd1 97.01(19) . 2_655 ?
N6 Gd2 Gd3 163.62(18) . . ?
N6 Gd2 N13 77.8(2) . . ?
N13 Gd2 Gd1 99.45(17) . 2_655 ?
N13 Gd2 Gd3 97.31(17) . . ?
O2W Gd2 Gd1 73.83(15) . 2_655 ?
O2W Gd2 Gd3 108.76(13) . . ?
O2W Gd2 N6 77.9(2) . . ?
O2W Gd2 N13 153.7(2) . . ?
O2W Gd2 O6 82.02(19) . . ?
O5 Gd2 Gd1 171.03(15) . 2_655 ?
O5 Gd2 Gd3 89.05(15) . . ?
O5 Gd2 N6 74.9(2) . . ?
O5 Gd2 N13 82.8(2) . . ?
O5 Gd2 O2W 100.3(2) . . ?
O5 Gd2 O6 138.0(2) . . ?
O5 Gd2 O9 86.3(2) . . ?
O5 Gd2 O14 83.5(2) . . ?
O5 Gd2 O16 155.0(2) . . ?
O6 Gd2 Gd1 35.58(14) . 2_655 ?
O6 Gd2 Gd3 130.29(14) . . ?
O6 Gd2 N6 64.6(2) . . ?
O6 Gd2 N13 78.7(2) . . ?
O9 Gd2 Gd1 102.46(15) . 2_655 ?
O9 Gd2 Gd3 34.18(13) . . ?
O9 Gd2 N6 138.5(2) . . ?
O9 Gd2 N13 63.2(2) . . ?
O9 Gd2 O2W 142.71(18) . . ?
O9 Gd2 O6 117.0(2) . . ?
O14 Gd2 Gd1 101.23(14) . 2_655 ?
O14 Gd2 Gd3 35.84(13) . . ?
O14 Gd2 N6 141.4(2) . . ?
O14 Gd2 N13 131.1(2) . . ?
O14 Gd2 O2W 75.00(18) . . ?
O14 Gd2 O6 136.03(19) . . ?
O14 Gd2 O9 69.33(19) . . ?
O16 Gd2 Gd1 32.61(14) . 2_655 ?
O16 Gd2 Gd3 66.79(14) . . ?
O16 Gd2 N6 129.5(2) . . ?
O16 Gd2 N13 105.9(2) . . ?
O16 Gd2 O2W 82.4(2) . . ?
O16 Gd2 O6 66.96(19) . . ?
O16 Gd2 O9 77.3(2) . . ?
O16 Gd2 O14 73.14(19) . . ?
C53 Gd3 Gd2 56.09(16) . . ?
C53 Gd3 Gd4 55.47(16) . 2_655 ?
Gd2 Gd3 Gd4 111.228(15) . 2_655 ?
N11 Gd3 C53 148.1(2) . . ?
N11 Gd3 Gd2 95.40(17) . . ?
N11 Gd3 Gd4 151.91(17) . 2_655 ?
N11 Gd3 N18 71.2(2) . 2_655 ?
N18 Gd3 C53 138.7(2) 2_655 . ?
N18 Gd3 Gd2 136.95(17) 2_655 . ?
N18 Gd3 Gd4 93.62(17) 2_655 2_655 ?
O3W Gd3 C53 86.6(2) . . ?
O3W Gd3 Gd2 70.12(15) . . ?
O3W Gd3 Gd4 99.92(18) . 2_655 ?
O3W Gd3 N11 97.4(3) . . ?
O3W Gd3 N18 71.4(2) . 2_655 ?
O3W Gd3 O9 70.6(2) . . ?
O3W Gd3 O12 88.0(2) . 2_655 ?
O3W Gd3 O14 68.2(2) . . ?
O8 Gd3 C53 120.8(2) . . ?
O8 Gd3 Gd2 141.59(16) . . ?
O8 Gd3 Gd4 82.16(17) . 2_655 ?
O8 Gd3 N11 71.1(2) . . ?
O8 Gd3 N18 73.9(2) . 2_655 ?
O8 Gd3 O3W 145.3(2) . . ?
O8 Gd3 O9 125.5(2) . . ?
O8 Gd3 O12 74.9(2) . 2_655 ?
O8 Gd3 O14 144.4(2) . . ?
O8 Gd3 O15 98.5(2) . . ?
O8 Gd3 O17 73.6(2) . . ?
O9 Gd3 C53 89.4(2) . . ?
O9 Gd3 Gd2 33.34(13) . . ?
O9 Gd3 Gd4 144.53(13) . 2_655 ?
O9 Gd3 N11 62.7(2) . . ?
O9 Gd3 N18 113.9(2) . 2_655 ?
O9 Gd3 O12 158.2(2) . 2_655 ?
O9 Gd3 O14 65.95(17) . . ?
O12 Gd3 C53 85.0(2) 2_655 . ?
O12 Gd3 Gd2 135.29(14) 2_655 . ?
O12 Gd3 Gd4 33.17(14) 2_655 2_655 ?
O12 Gd3 N11 126.6(2) 2_655 . ?
O12 Gd3 N18 60.5(2) 2_655 2_655 ?
O12 Gd3 O14 102.81(18) 2_655 . ?
O14 Gd3 C53 26.3(2) . . ?
O14 Gd3 Gd2 33.25(12) . . ?
O14 Gd3 Gd4 78.72(12) . 2_655 ?
O14 Gd3 N11 128.6(2) . . ?
O14 Gd3 N18 136.7(2) . 2_655 ?
O15 Gd3 C53 26.1(2) . . ?
O15 Gd3 Gd2 81.76(13) . . ?
O15 Gd3 Gd4 31.56(13) . 2_655 ?
O15 Gd3 N11 159.4(2) . . ?
O15 Gd3 N18 124.1(2) . 2_655 ?
O15 Gd3 O3W 100.8(2) . . ?
O15 Gd3 O9 114.64(18) . . ?
O15 Gd3 O12 64.12(19) . 2_655 ?
O15 Gd3 O14 52.09(17) . . ?
O17 Gd3 C53 75.0(2) . . ?
O17 Gd3 Gd2 68.84(13) . . ?
O17 Gd3 Gd4 99.32(14) . 2_655 ?
O17 Gd3 N11 81.6(2) . . ?
O17 Gd3 N18 142.9(2) . 2_655 ?
O17 Gd3 O3W 138.6(2) . . ?
O17 Gd3 O9 72.5(2) . . ?
O17 Gd3 O12 125.7(2) . 2_655 ?
O17 Gd3 O14 80.19(18) . . ?
O17 Gd3 O15 78.3(2) . . ?
Gd1 Gd4 Gd3 98.672(14) 2_655 2_655 ?
N3 Gd4 Gd1 97.4(2) 2_655 2_655 ?
N3 Gd4 Gd3 95.40(17) 2_655 2_655 ?
N16 Gd4 Gd1 164.3(2) . 2_655 ?
N16 Gd4 Gd3 96.9(2) . 2_655 ?
N16 Gd4 N3 78.5(3) . 2_655 ?
O1 Gd4 Gd1 34.06(14) 2_655 2_655 ?
O1 Gd4 Gd3 99.91(12) 2_655 2_655 ?
O1 Gd4 N3 63.4(2) 2_655 2_655 ?
O1 Gd4 N16 139.5(2) 2_655 . ?
O1 Gd4 O4W 143.50(19) 2_655 . ?
O4W Gd4 Gd1 110.13(14) . 2_655 ?
O4W Gd4 Gd3 73.67(16) . 2_655 ?
O4W Gd4 N3 151.4(2) . 2_655 ?
O4W Gd4 N16 76.7(2) . . ?
O11 Gd4 Gd1 89.97(18) . 2_655 ?
O11 Gd4 Gd3 171.35(18) . 2_655 ?
O11 Gd4 N3 83.1(3) . 2_655 ?
O11 Gd4 N16 74.5(3) . . ?
O11 Gd4 O1 87.1(2) . 2_655 ?
O11 Gd4 O4W 103.7(3) . . ?
O11 Gd4 O12 136.7(2) . . ?
O11 Gd4 O15 156.0(2) . 2_655 ?
O11 Gd4 O18 82.7(2) . . ?
O12 Gd4 Gd1 129.85(14) . 2_655 ?
O12 Gd4 Gd3 35.16(13) . 2_655 ?
O12 Gd4 N3 76.4(2) . 2_655 ?
O12 Gd4 N16 64.4(2) . . ?
O12 Gd4 O1 115.6(2) . 2_655 ?
O12 Gd4 O4W 80.1(2) . . ?
O15 Gd4 Gd1 66.64(13) 2_655 2_655 ?
O15 Gd4 Gd3 32.51(14) 2_655 2_655 ?
O15 Gd4 N3 104.3(2) 2_655 2_655 ?
O15 Gd4 N16 129.1(2) 2_655 . ?
O15 Gd4 O1 76.47(19) 2_655 2_655 ?
O15 Gd4 O4W 80.9(2) 2_655 . ?
O15 Gd4 O12 67.03(19) 2_655 . ?
O18 Gd4 Gd1 37.85(14) . 2_655 ?
O18 Gd4 Gd3 104.33(14) . 2_655 ?
O18 Gd4 N3 132.7(3) . 2_655 ?
O18 Gd4 N16 138.7(2) . . ?
O18 Gd4 O1 71.0(2) . 2_655 ?
O18 Gd4 O4W 75.9(2) . . ?
O18 Gd4 O12 138.1(2) . . ?
O18 Gd4 O15 75.6(2) . 2_655 ?
C8 N1 Gd1 127.8(7) . . ?
C8 N1 N2 113.8(8) . . ?
N2 N1 Gd1 118.3(5) . . ?
C9 N2 N1 112.3(8) . . ?
C10 N3 C11 119.2(10) . . ?
C10 N3 Gd4 116.3(6) . 2_655 ?
C11 N3 Gd4 124.3(8) . 2_655 ?
C12 N4 C13 117.8(10) . . ?
C13 N5 H5A 120.0 . . ?
C13 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C21 N6 Gd2 128.6(7) . . ?
C21 N6 N7 113.3(8) . . ?
N7 N6 Gd2 117.8(6) . . ?
C22 N7 N6 113.4(7) . . ?
C23 N8 Gd1 116.3(6) . 2_655 ?
C24 N8 C23 119.3(9) . . ?
C24 N8 Gd1 123.1(7) . 2_655 ?
C25 N9 C26 115.2(10) . . ?
C26 N10 H10A 120.0 . . ?
C26 N10 H10B 120.0 . . ?
H10A N10 H10B 120.0 . . ?
C34 N11 Gd3 129.8(7) . . ?
C34 N11 N12 110.2(8) . . ?
N12 N11 Gd3 119.8(5) . . ?
C35 N12 N11 109.4(7) . . ?
C36 N13 Gd2 116.0(5) . . ?
C37 N13 C36 118.2(8) . . ?
C37 N13 Gd2 125.5(7) . . ?
C38 N14 C39 118.8(9) . . ?
C39 N15 H15A 120.0 . . ?
C39 N15 H15B 120.0 . . ?
H15A N15 H15B 120.0 . . ?
C47 N16 Gd4 127.8(8) . . ?
C47 N16 N17 113.5(9) . . ?
N17 N16 Gd4 118.4(5) . . ?
C48 N17 N16 112.4(8) . . ?
C49 N18 Gd3 116.0(6) . 2_655 ?
C50 N18 C49 117.1(8) . . ?
C50 N18 Gd3 125.0(6) . 2_655 ?
C52 N19 C51 117.4(9) . . ?
C52 N20 H20A 120.0 . . ?
C52 N20 H20B 120.0 . . ?
H20A N20 H20B 120.0 . . ?
C9 O1 Gd1 121.3(6) . . ?
C9 O1 Gd4 123.3(6) . 2_655 ?
Gd4 O1 Gd1 112.4(2) 2_655 . ?
Gd1 O1W H1WA 109.4 . . ?
Gd1 O1W H1WB 109.2 . . ?
H1WA O1W H1WB 104.4 . . ?
C7 O2 Gd1 136.7(5) . . ?
Gd2 O2W H2WA 113.0 . . ?
Gd2 O2W H2WB 112.7 . . ?
H2WA O2W H2WB 104.5 . . ?
C2 O3 C1 119.5(8) . . ?
Gd3 O3W H3WA 117.5 . . ?
Gd3 O3W H3WB 117.1 . . ?
H3WA O3W H3WB 104.6 . . ?
C15 O4 C14 113.0(9) . . ?
Gd4 O4W H4WA 118.5 . . ?
Gd4 O4W H4WB 117.9 . . ?
H4WA O4W H4WB 104.5 . . ?
C20 O5 Gd2 137.9(6) . . ?
C22 O6 Gd1 121.4(6) . 2_655 ?
C22 O6 Gd2 119.3(6) . . ?
Gd2 O6 Gd1 110.5(2) . 2_655 ?
C28 O7 C27 117.1(9) . . ?
C33 O8 Gd3 136.4(6) . . ?
C35 O9 Gd2 128.5(6) . . ?
C35 O9 Gd3 119.0(5) . . ?
Gd2 O9 Gd3 112.5(2) . . ?
C41 O10 C40 115.0(11) . . ?
C46 O11 Gd4 141.3(7) . . ?
C48 O12 Gd3 120.3(6) . 2_655 ?
C48 O12 Gd4 120.3(6) . . ?
Gd4 O12 Gd3 111.7(2) . 2_655 ?
C53 O13 Gd1 133.9(5) . . ?
C53 O14 Gd2 135.0(5) . . ?
C53 O14 Gd3 94.5(5) . . ?
Gd2 O14 Gd3 110.9(2) . . ?
C53 O15 Gd3 99.1(5) . . ?
C53 O15 Gd4 134.1(5) . 2_655 ?
Gd4 O15 Gd3 115.9(2) 2_655 . ?
C54 O16 Gd1 99.4(5) . 2_655 ?
C54 O16 Gd2 134.5(5) . . ?
Gd2 O16 Gd1 115.8(2) . 2_655 ?
C54 O17 Gd3 134.6(6) . . ?
C54 O18 Gd1 92.1(5) . 2_655 ?
C54 O18 Gd4 136.8(6) . . ?
Gd4 O18 Gd1 108.9(2) . 2_655 ?

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
C2 C3 C4 C5 0(2) . . . . ?
C2 C7 O2 Gd1 -143.7(7) . . . . ?
C3 C2 C7 C6 -0.1(15) . . . . ?
C3 C2 C7 O2 179.4(10) . . . . ?
C3 C2 O3 C1 -10.4(15) . . . . ?
C3 C4 C5 C6 -4(2) . . . . ?
C4 C5 C6 C7 4.9(17) . . . . ?
C4 C5 C6 C8 -178.9(11) . . . . ?
C5 C6 C7 C2 -3.0(14) . . . . ?
C5 C6 C7 O2 177.5(9) . . . . ?
C5 C6 C8 N1 168.7(10) . . . . ?
C6 C7 O2 Gd1 35.8(13) . . . . ?
C6 C8 N1 Gd1 -2.6(15) . . . . ?
C6 C8 N1 N2 175.9(9) . . . . ?
C7 C2 C3 C4 1.5(18) . . . . ?
C7 C2 O3 C1 169.9(8) . . . . ?
C7 C6 C8 N1 -15.2(17) . . . . ?
C8 C6 C7 C2 -179.0(9) . . . . ?
C8 C6 C7 O2 1.5(15) . . . . ?
C8 N1 N2 C9 -177.1(8) . . . . ?
C9 C10 C13 N4 168.5(10) . . . . ?
C9 C10 C13 N5 -11.3(19) . . . . ?
C9 C10 N3 C11 -172.7(8) . . . . ?
C9 C10 N3 Gd4 11.7(10) . . . 2_655 ?
C10 C9 N2 N1 -178.7(7) . . . . ?
C10 C9 O1 Gd1 177.0(5) . . . . ?
C10 C9 O1 Gd4 -24.1(9) . . . 2_655 ?
C10 C13 N4 C12 5.8(19) . . . . ?
C11 C12 N4 C13 0.4(18) . . . . ?
C12 C11 N3 C10 1.7(15) . . . . ?
C12 C11 N3 Gd4 177.0(8) . . . 2_655 ?
C13 C10 N3 C11 4.7(15) . . . . ?
C13 C10 N3 Gd4 -170.9(8) . . . 2_655 ?
C15 C16 C17 C18 -6(2) . . . . ?
C15 C20 O5 Gd2 160.4(7) . . . . ?
C16 C15 C20 C19 0.2(15) . . . . ?
C16 C15 C20 O5 -179.8(10) . . . . ?
C16 C15 O4 C14 9.8(16) . . . . ?
C16 C17 C18 C19 5.8(19) . . . . ?
C17 C18 C19 C20 -2.6(17) . . . . ?
C17 C18 C19 C21 176.2(11) . . . . ?
C18 C19 C20 C15 -0.3(14) . . . . ?
C18 C19 C20 O5 179.7(9) . . . . ?
C18 C19 C21 N6 -175.1(9) . . . . ?
C19 C20 O5 Gd2 -19.6(14) . . . . ?
C19 C21 N6 Gd2 6.8(14) . . . . ?
C19 C21 N6 N7 179.9(9) . . . . ?
C20 C15 C16 C17 3.0(19) . . . . ?
C20 C15 O4 C14 -169.6(11) . . . . ?
C20 C19 C21 N6 3.6(16) . . . . ?
C21 C19 C20 C15 -179.0(9) . . . . ?
C21 C19 C20 O5 1.0(15) . . . . ?
C21 N6 N7 C22 -177.6(8) . . . . ?
C22 C23 C26 N9 175.2(10) . . . . ?
C22 C23 C26 N10 -8.2(18) . . . . ?
C22 C23 N8 C24 -176.2(8) . . . . ?
C22 C23 N8 Gd1 16.3(10) . . . 2_655 ?
C23 C22 N7 N6 179.7(7) . . . . ?
C23 C22 O6 Gd1 -30.3(9) . . . 2_655 ?
C23 C22 O6 Gd2 -174.8(5) . . . . ?
C23 C26 N9 C25 -1.1(17) . . . . ?
C24 C25 N9 C26 2.2(19) . . . . ?
C25 C24 N8 C23 2.0(14) . . . . ?
C25 C24 N8 Gd1 168.7(8) . . . 2_655 ?
C26 C23 N8 C24 -1.0(13) . . . . ?
C26 C23 N8 Gd1 -168.6(7) . . . 2_655 ?
C28 C29 C30 C31 3(2) . . . . ?
C28 C33 O8 Gd3 141.1(8) . . . . ?
C29 C28 C33 C32 -0.1(15) . . . . ?
C29 C28 C33 O8 -176.9(9) . . . . ?
C29 C28 O7 C27 10.7(17) . . . . ?
C29 C30 C31 C32 -1.2(19) . . . . ?
C30 C31 C32 C33 -1.1(17) . . . . ?
C30 C31 C32 C34 179.9(11) . . . . ?
C31 C32 C33 C28 1.8(15) . . . . ?
C31 C32 C33 O8 178.3(9) . . . . ?
C31 C32 C34 N11 -168.3(10) . . . . ?
C32 C33 O8 Gd3 -35.4(14) . . . . ?
C32 C34 N11 Gd3 8.7(15) . . . . ?
C32 C34 N11 N12 -177.5(9) . . . . ?
C33 C28 C29 C30 -2.2(17) . . . . ?
C33 C28 O7 C27 -168.7(9) . . . . ?
C33 C32 C34 N11 12.8(16) . . . . ?
C34 C32 C33 C28 -179.4(9) . . . . ?
C34 C32 C33 O8 -2.8(16) . . . . ?
C34 N11 N12 C35 173.9(8) . . . . ?
C35 C36 C39 N14 -177.5(9) . . . . ?
C35 C36 C39 N15 -3.4(17) . . . . ?
C35 C36 N13 C37 -177.2(9) . . . . ?
C35 C36 N13 Gd2 8.0(11) . . . . ?
C36 C35 N12 N11 -175.8(8) . . . . ?
C36 C35 O9 Gd2 8.9(12) . . . . ?
C36 C35 O9 Gd3 -172.2(6) . . . . ?
C36 C39 N14 C38 -4.8(16) . . . . ?
C37 C38 N14 C39 1.7(18) . . . . ?
C38 C37 N13 C36 -5.7(16) . . . . ?
C38 C37 N13 Gd2 168.5(8) . . . . ?
C39 C36 N13 C37 2.5(14) . . . . ?
C39 C36 N13 Gd2 -172.3(7) . . . . ?
C41 C42 C43 C44 3(2) . . . . ?
C41 C46 O11 Gd4 -178.0(8) . . . . ?
C42 C41 C46 C45 1.2(19) . . . . ?
C42 C41 C46 O11 179.9(11) . . . . ?
C42 C41 O10 C40 5.0(18) . . . . ?
C42 C43 C44 C45 -1(3) . . . . ?
C43 C44 C45 C46 -1(2) . . . . ?
C43 C44 C45 C47 175.9(14) . . . . ?
C44 C45 C46 C41 0.6(18) . . . . ?
C44 C45 C46 O11 -178.1(11) . . . . ?
C44 C45 C47 N16 -174.8(12) . . . . ?
C45 C46 O11 Gd4 0.7(19) . . . . ?
C45 C47 N16 Gd4 -12.9(18) . . . . ?
C45 C47 N16 N17 172.6(11) . . . . ?
C46 C41 C42 C43 -3(2) . . . . ?
C46 C41 O10 C40 -173.8(12) . . . . ?
C46 C45 C47 N16 2(2) . . . . ?
C47 C45 C46 C41 -175.6(11) . . . . ?
C47 C45 C46 O11 5.6(19) . . . . ?
C47 N16 N17 C48 -177.1(9) . . . . ?
C48 C49 C52 N19 -171.2(10) . . . . ?
C48 C49 C52 N20 8.6(16) . . . . ?
C48 C49 N18 C50 171.9(8) . . . . ?
C48 C49 N18 Gd3 -22.7(10) . . . 2_655 ?
C49 C48 N17 N16 175.2(9) . . . . ?
C49 C48 O12 Gd3 30.9(11) . . . 2_655 ?
C49 C48 O12 Gd4 177.8(6) . . . . ?
C49 C52 N19 C51 -1.6(15) . . . . ?
C50 C51 N19 C52 -0.1(16) . . . . ?
C51 C50 N18 C49 1.7(14) . . . . ?
C51 C50 N18 Gd3 -162.2(7) . . . 2_655 ?
C52 C49 N18 C50 -3.3(13) . . . . ?
C52 C49 N18 Gd3 162.0(7) . . . 2_655 ?
Gd1 C54 O16 Gd2 -141.4(7) 2_655 . . . ?
Gd1 C54 O17 Gd3 -93(3) 2_655 . . . ?
Gd1 C54 O18 Gd4 -120.8(7) 2_655 . . . ?
Gd1 N1 N2 C9 1.6(9) . . . . ?
Gd2 N6 N7 C22 -3.7(9) . . . . ?
Gd3 C53 O13 Gd1 106(3) . . . . ?
Gd3 C53 O14 Gd2 125.7(7) . . . . ?
Gd3 C53 O15 Gd4 140.5(8) . . . 2_655 ?
Gd3 N11 N12 C35 -11.6(10) . . . . ?
Gd4 N16 N17 C48 7.9(11) . . . . ?
N2 C9 C10 C13 7.7(14) . . . . ?
N2 C9 C10 N3 -175.0(8) . . . . ?
N2 C9 O1 Gd1 -1.8(11) . . . . ?
N2 C9 O1 Gd4 157.1(7) . . . 2_655 ?
N3 C10 C13 N4 -8.7(18) . . . . ?
N3 C10 C13 N5 171.6(12) . . . . ?
N3 C11 C12 N4 -4.4(17) . . . . ?
N5 C13 N4 C12 -174.4(12) . . . . ?
N7 C22 C23 C26 11.2(14) . . . . ?
N7 C22 C23 N8 -174.1(8) . . . . ?
N7 C22 O6 Gd1 151.1(7) . . . 2_655 ?
N7 C22 O6 Gd2 6.6(11) . . . . ?
N8 C23 C26 N9 0.6(16) . . . . ?
N8 C23 C26 N10 177.2(11) . . . . ?
N8 C24 C25 N9 -2.7(19) . . . . ?
N10 C26 N9 C25 -177.9(12) . . . . ?
N12 C35 C36 C39 -13.9(15) . . . . ?
N12 C35 C36 N13 165.7(9) . . . . ?
N12 C35 O9 Gd2 -167.1(7) . . . . ?
N12 C35 O9 Gd3 11.7(13) . . . . ?
N13 C36 C39 N14 2.8(15) . . . . ?
N13 C36 C39 N15 176.9(10) . . . . ?
N13 C37 C38 N14 3.8(19) . . . . ?
N15 C39 N14 C38 -179.1(11) . . . . ?
N17 C48 C49 C52 -6.0(16) . . . . ?
N17 C48 C49 N18 179.1(9) . . . . ?
N17 C48 O12 Gd3 -151.5(8) . . . 2_655 ?
N17 C48 O12 Gd4 -4.7(13) . . . . ?
N18 C49 C52 N19 3.4(15) . . . . ?
N18 C49 C52 N20 -176.8(9) . . . . ?
N18 C50 C51 N19 0.1(16) . . . . ?
N20 C52 N19 C51 178.6(9) . . . . ?
O1 C9 C10 C13 -171.2(9) . . . . ?
O1 C9 C10 N3 6.1(12) . . . . ?
O1 C9 N2 N1 0.1(12) . . . . ?
O3 C2 C3 C4 -178.2(11) . . . . ?
O3 C2 C7 C6 179.6(8) . . . . ?
O3 C2 C7 O2 -0.9(12) . . . . ?
O4 C15 C16 C17 -176.3(11) . . . . ?
O4 C15 C20 C19 179.6(8) . . . . ?
O4 C15 C20 O5 -0.4(13) . . . . ?
O6 C22 C23 C26 -167.5(9) . . . . ?
O6 C22 C23 N8 7.2(11) . . . . ?
O6 C22 N7 N6 -1.7(12) . . . . ?
O7 C28 C29 C30 178.5(12) . . . . ?
O7 C28 C33 C32 179.3(9) . . . . ?
O7 C28 C33 O8 2.5(14) . . . . ?
O9 C35 C36 C39 169.7(9) . . . . ?
O9 C35 C36 N13 -10.7(13) . . . . ?
O9 C35 N12 N11 0.1(14) . . . . ?
O10 C41 C42 C43 178.7(13) . . . . ?
O10 C41 C46 C45 179.9(10) . . . . ?
O10 C41 C46 O11 -1.4(17) . . . . ?
O12 C48 C49 C52 171.7(9) . . . . ?
O12 C48 C49 N18 -3.2(13) . . . . ?
O12 C48 N17 N16 -2.3(14) . . . . ?
O13 C53 O14 Gd2 -42.7(12) . . . . ?
O13 C53 O14 Gd3 -168.4(7) . . . . ?
O13 C53 O15 Gd3 167.8(7) . . . . ?
O13 C53 O15 Gd4 -51.7(12) . . . 2_655 ?
O14 C53 O13 Gd1 -151.6(6) . . . . ?
O14 C53 O15 Gd3 -11.5(7) . . . . ?
O14 C53 O15 Gd4 129.0(6) . . . 2_655 ?
O15 C53 O13 Gd1 29.1(13) . . . . ?
O15 C53 O14 Gd2 136.7(6) . . . . ?
O15 C53 O14 Gd3 11.0(7) . . . . ?
O16 C54 O17 Gd3 -23.4(12) . . . . ?
O16 C54 O18 Gd1 -11.9(7) . . . 2_655 ?
O16 C54 O18 Gd4 -132.8(7) . . . . ?
O17 C54 O16 Gd1 -166.5(7) . . . 2_655 ?
O17 C54 O16 Gd2 52.0(11) . . . . ?
O17 C54 O18 Gd1 167.6(7) . . . 2_655 ?
O17 C54 O18 Gd4 46.8(12) . . . . ?
O18 C54 O16 Gd1 13.0(8) . . . 2_655 ?
O18 C54 O16 Gd2 -128.4(7) . . . . ?
O18 C54 O17 Gd3 157.0(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.033 0.318 0.084 12.1 0.8 ?
2 -0.033 0.318 0.416 12.1 0.9 ?
3 0.033 0.682 0.584 12.1 0.8 ?
4 -0.033 0.682 0.916 12.1 0.9 ?
5 0.250 0.250 1.000 849.5 123.8 ?
6 0.250 0.750 0.500 849.5 123.8 ?
7 0.467 0.182 0.916 12.1 0.9 ?
8 0.467 0.818 0.416 12.1 0.9 ?
9 0.533 0.182 0.584 12.1 0.8 ?
10 0.533 0.818 0.084 12.1 0.8 ?
11 0.750 0.250 0.500 849.5 123.8 ?
12 0.750 0.750 1.000 849.5 123.8 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.237
_oxdiff_exptl_absorpt_empirical_full_min 0.465
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_n
_database_code_depnum_ccdc_archive 'CCDC 2521958'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2026-01-12 deposited with the CCDC.	2026-03-02 downloaded from the CCDC.
;
_audit_creation_date             2026-01-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         
'C38 H55 Dy2 N13 O12, 2(C F3 O3 S), 3(C4 H9 N O), H2 O'
_chemical_formula_sum            'C52 H84 Dy2 F6 N16 O22 S2'
_chemical_formula_weight         1788.47
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N O F S Dy '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   11.7867(2)
_cell_length_b                   12.4022(2)
_cell_length_c                   13.6136(2)
_cell_angle_alpha                65.1480(10)
_cell_angle_beta                 87.5400(10)
_cell_angle_gamma                83.2340(10)
_cell_volume                     1793.14(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    30498
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      74.6300
_cell_measurement_theta_min      3.9320
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    12.409
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49747
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.75a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             902
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            33926
_diffrn_reflns_point_group_measured_fraction_full 0.904
_diffrn_reflns_point_group_measured_fraction_max 0.904
_diffrn_reflns_theta_full        62.498
_diffrn_reflns_theta_max         62.498
_diffrn_reflns_theta_min         3.578
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     20.00  46.00   0.50    0.05    --   40.81  62.00-129.25   52
  2  ω     20.00  45.00   0.50    0.05    --   40.81  63.00 -86.52   50
  3  ω     25.00  51.00   0.50    0.05    --   40.81  62.00 -66.01   52
  4  ω     22.00  56.00   0.50    0.05    --   40.81  58.00 102.40   68
  5  ω     21.00  46.00   0.50    0.05    --   40.81  59.00 177.92   50
  6  ω     22.00  50.00   0.50    0.05    --   40.81  62.00  44.25   56
  7  ω     19.00  44.00   0.50    0.05    --   40.81  65.00  -1.25   50
  8  ω     36.00  62.00   0.50    0.05    --  108.87 -85.00 -42.00   52
  9  ω     64.00  90.00   0.50    0.05    --  108.87-125.00  60.00   52
 10  ω     36.00  66.00   0.50    0.05    --  108.87-125.00   0.00   60
 11  ω     35.00 100.00   0.50    0.05    --  108.87-125.00 -30.00  130
 12  ω     33.00  92.00   0.50    0.05    --  108.87 -95.00 -90.00  118
 13  ω     37.00 100.00   0.50    0.05    --  108.87-125.00-120.00  126
 14  ω     63.00  92.00   0.50    0.05    --  108.87 -95.00 -60.00   58
 15  ω     64.00  90.00   0.50    0.05    --  108.87 -95.00-150.00   52
 16  ω     62.00  90.00   0.50    0.05    --  108.87 -95.00   0.00   56
 17  ω     37.00  92.00   0.50    0.05    --  108.87 -95.00  30.00  110
 18  ω     31.00  58.00   0.50    0.05    --  108.87 -95.00  90.00   54
 19  ω     62.00  91.00   0.50    0.05    --  108.87 -95.00  90.00   58
 20  ω     65.00  91.00   0.50    0.05    --  108.87 -95.00 150.00   52
 21  ω     35.00  61.00   0.50    0.05    --  108.87 -95.00 150.00   52
 22  ω     33.00  89.00   0.50    0.05    --  108.87 -95.00 120.00  112
 23  ω     64.00  90.00   0.50    0.05    --  108.87 -95.00  60.00   52
 24  ω     33.00  61.00   0.50    0.05    --  108.87 -95.00  60.00   56
 25  ω     62.00  92.00   0.50    0.05    --  108.87 -95.00 -30.00   60
 26  ω     32.00  92.00   0.50    0.05    --  108.87 -95.00-120.00  120
 27  ω    -16.00  72.00   0.50    0.05    --   40.81 -85.00 -42.00  176
 28  ω     35.00  72.00   0.50    0.05    --  108.87 -77.00 -30.00   74
 29  ω     97.00 159.00   0.50    0.05    --  108.87  30.00 -90.00  124
 30  ω    133.00 161.00   0.50    0.05    --  108.87  30.00 -60.00   56
 31  ω     98.00 124.00   0.50    0.05    --  108.87  30.00 -60.00   52
 32  ω     75.00 125.00   0.50    0.05    --  108.87  15.00 -90.00  100
 33  ω     83.00 132.00   0.50    0.05    --  108.87  15.00-180.00   98
 34  ω    108.00 134.00   0.50    0.05    --  108.87  30.00  60.00   52
 35  ω     78.00 133.00   0.50    0.05    --  108.87  15.00  30.00  110
 36  ω     77.00 133.00   0.50    0.05    --  108.87  15.00  60.00  112
 37  ω     80.00 131.00   0.50    0.05    --  108.87  15.00  90.00  102
 38  ω     77.00 128.00   0.50    0.05    --  108.87  15.00 150.00  102
 39  ω     38.00  68.00   0.50    0.05    --  108.87 -77.00 150.00   60
 40  ω     99.00 133.00   0.50    0.05    --  108.87  15.00-150.00   68
 41  ω     89.00 118.00   0.50    0.05    --  108.87 125.00-150.00   58
 42  ω    133.00 171.00   0.50    0.05    --  108.87 125.00-150.00   76
 43  ω    108.00 168.00   0.50    0.05    --  108.87 125.00 -60.00  120
 44  ω    105.00 171.00   0.50    0.05    --  108.87  85.00  76.00  132
 45  ω    -32.00  28.00   0.50    0.05    --  -50.00  45.00-180.00  120
 46  ω     -6.00  31.00   0.50    0.05    --  -50.00  30.00-120.00   74
 47  ω     16.00  41.00   0.50    0.05    --  -40.81  19.00-150.00   50
 48  ω     -8.00  32.00   0.50    0.05    --  -50.00  30.00 -60.00   80
 49  ω     17.00  42.00   0.50    0.05    --  -40.81  19.00  30.00   50
 50  ω     16.00  41.00   0.50    0.05    --  -40.81  19.00-180.00   50
 51  ω     16.00  42.00   0.50    0.05    --  -40.81  19.00  60.00   52
 52  ω     16.00  42.00   0.50    0.05    --  -40.81  19.00  90.00   52
 53  ω     16.00  41.00   0.50    0.05    --  -40.81  19.00 120.00   50
 54  ω     -8.00  32.00   0.50    0.05    --  -50.00  30.00 150.00   80
 55  ω    -81.00  11.00   0.50    0.05    --  -50.00  85.00  76.00  184
 56  ω    -54.00 -29.00   0.50    0.05    --  -40.81  85.00  76.00   50
 57  ω     24.00  73.00   0.50    0.05    --   41.06  38.00 -90.00   98
 58  ω    -30.00  -5.00   0.50    0.05    --   10.00 105.00  33.49   50
 59  ω    -29.00  -4.00   0.50    0.05    --  -30.00 -74.00  66.11   50
 60  ω    -36.00 -11.00   0.50    0.05    --  -34.00 -70.00-178.70   50
 61  ω    -41.00 -16.00   0.50    0.05    --  -38.00 -68.00  49.46   50
 62  ω    -44.00  33.00   0.50    0.05    --  -41.06  57.00-120.00  154
 63  ω     78.00 119.00   0.50    0.05    --   41.06  38.00 -90.00   82
 64  ω    -45.00 -19.00   0.50    0.05    --  -42.00 -67.00  -3.10   52
 65  ω    -46.00 -21.00   0.50    0.05    --  -42.00 -67.00 -50.50   50
 66  ω    -46.00 -21.00   0.50    0.05    --  -42.00 -67.00 125.89   50
 67  ω    -51.00 -26.00   0.50    0.05    --  -46.00 -65.00 -14.69   50
 68  ω    -60.00 -30.00   0.50    0.05    --  -50.00 -60.00  89.27   60
 69  ω    -28.00  27.00   0.50    0.05    --  -50.00  45.00   0.00  110
 70  ω     -5.00  21.00   0.50    0.05    --  -50.00  30.00 -90.00   52
 71  ω    -99.00 -42.00   0.50    0.05    --  -50.00 125.00  30.00  114
 72  ω    -56.00 -31.00   0.50    0.05    --  -50.00 -62.00-136.32   50
 73  ω    -32.00   6.00   0.50    0.05    --  -50.00  45.00 -30.00   76
 74  ω    -56.00 -31.00   0.50    0.05    --  -50.00 -62.00-105.08   50
 75  ω    -56.00 -31.00   0.50    0.05    --  -50.00 -62.00-167.10   50
 76  ω    -59.00 -29.00   0.50    0.05    --  -50.00 -56.00 145.15   60
 77  ω    -55.00 -29.00   0.50    0.05    --  -50.00 -62.00 -79.79   52
 78  ω    -58.00 -30.00   0.50    0.05    --  -50.00 -60.00  46.10   56
 79  ω    -59.00 -30.00   0.50    0.05    --  -50.00 -60.00  27.18   58
 80  ω    -58.00 -29.00   0.50    0.05    --  -50.00 -55.00 107.45   58
 81  ω    -58.00 -32.00   0.50    0.05    --  -50.00 -58.00 -55.34   52
 82  ω    -54.00 -29.00   0.50    0.05    --  -50.00 -62.00 104.92   50
 83  ω    -61.00 -32.00   0.50    0.05    --  -50.00 -57.00 -16.60   58
 84  ω    138.00 167.00   0.50    0.05    --  108.87  61.00 -60.00   58
 85  ω    150.00 175.00   0.50    0.05    --  108.87  45.00-150.00   50
 86  ω     89.00 116.00   0.50    0.05    --  108.87  61.00 -60.00   54
 87  ω     89.00 115.00   0.50    0.05    --  108.87  61.00  60.00   52
 88  ω     89.00 115.00   0.50    0.05    --  108.87  61.00-150.00   52
 89  ω     89.00 115.00   0.50    0.05    --  108.87  45.00 120.00   52
 90  ω     88.00 117.00   0.50    0.05    --  108.87  45.00-150.00   58
 91  ω    148.00 173.00   0.50    0.05    --  108.87  45.00-120.00   50
 92  ω     88.00 117.00   0.50    0.05    --  108.87  45.00-120.00   58
 93  ω    143.00 173.00   0.50    0.05    --  108.87  45.00  30.00   60
 94  ω     89.00 114.00   0.50    0.05    --  108.87  61.00   0.00   50
 95  ω     90.00 120.00   0.50    0.05    --  108.87  45.00  90.00   60
 96  ω    144.00 170.00   0.50    0.05    --  108.87  45.00   0.00   52
 97  ω     88.00 114.00   0.50    0.05    --  108.87  45.00  30.00   52
 98  ω    141.00 172.00   0.50    0.05    --  108.87  45.00-180.00   62
 99  ω     88.00 117.00   0.50    0.05    --  108.87  45.00   0.00   58
100  ω     88.00 114.00   0.50    0.05    --  108.87  45.00 -30.00   52
101  ω    148.00 174.00   0.50    0.05    --  108.87  61.00-180.00   52
102  ω     89.00 115.00   0.50    0.05    --  108.87  61.00-180.00   52
103  ω    148.00 174.00   0.50    0.05    --  108.87  45.00 -90.00   52
104  ω    144.00 175.00   0.50    0.05    --  108.87  61.00 -90.00   62
105  ω     91.00 117.00   0.50    0.05    --  108.87  61.00 -90.00   52
106  ω     88.00 114.00   0.50    0.05    --  108.87  45.00 -90.00   52
107  ω    134.00 172.00   0.50    0.05    --  108.87  61.00   0.00   76
108  ω     89.00 115.00   0.50    0.05    --  108.87  61.00  30.00   52
109  ω    147.00 173.00   0.50    0.05    --  108.87  61.00  30.00   52
110  ω    141.00 170.00   0.50    0.05    --  108.87  45.00 150.00   58
111  ω     89.00 115.00   0.50    0.05    --  108.87  61.00 -30.00   52
112  ω     89.00 115.00   0.50    0.05    --  108.87  45.00-180.00   52
113  ω     88.00 113.00   0.50    0.05    --  108.87  45.00  60.00   50
114  ω    129.00 155.00   0.50    0.05    --  108.87  61.00-150.00   52
115  ω     89.00 114.00   0.50    0.05    --  108.87  61.00-120.00   50
116  ω    149.00 175.00   0.50    0.05    --  108.87  61.00-120.00   52
117  ω     88.00 114.00   0.50    0.05    --  108.87  45.00 -60.00   52
118  ω    130.00 175.00   0.50    0.05    --  108.87  61.00 120.00   90
119  ω     89.00 115.00   0.50    0.05    --  108.87  61.00  90.00   52
120  ω     90.00 116.00   0.50    0.05    --  108.87  61.00 120.00   52
121  ω    148.00 175.00   0.50    0.05    --  108.87  61.00 150.00   54
122  ω     89.00 121.00   0.50    0.05    --  108.87  45.00 150.00   64
123  ω     89.00 119.00   0.50    0.05    --  108.87  61.00 150.00   60
124  ω    134.00 165.00   0.50    0.05    --  108.87  61.00  60.00   62
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0659742000
_diffrn_orient_matrix_UB_12      0.0783279000
_diffrn_orient_matrix_UB_13      -0.1060875000
_diffrn_orient_matrix_UB_21      0.0109997000
_diffrn_orient_matrix_UB_22      -0.1066071000
_diffrn_orient_matrix_UB_23      -0.0312402000
_diffrn_orient_matrix_UB_31      -0.1133629000
_diffrn_orient_matrix_UB_32      -0.0383293000
_diffrn_orient_matrix_UB_33      0.0576488000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.813
_reflns_Friedel_fraction_full    0.811
_reflns_Friedel_fraction_max     0.811
_reflns_number_gt                10233
_reflns_number_total             10359
_reflns_odcompleteness_completeness 99.36
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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       'CrysAlisPro 1.171.43.75a (Rigaku OD, 2023)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.75a 64-bit (release 14-06-2023))'
_computing_data_reduction        'CrysAlisPro 1.171.43.75a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.755
_refine_diff_density_min         -0.827
_refine_diff_density_rms         0.108
_refine_ls_abs_structure_details 
;
 Flack x determined using 4457 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.005(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     920
_refine_ls_number_reflns         10359
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0397
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0750P)²+5.4696P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1040
_refine_ls_wR_factor_ref         0.1044
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C31-N12
 1.3 with sigma of 0.01
 N13-C35
 1.3 with sigma of 0.01
 N12-C34
 1.49 with sigma of 0.01
 C38-N13
 1.49 with sigma of 0.01
 C33-N12
 1.49 with sigma of 0.01
 N13-C37
 1.49 with sigma of 0.01
 C37-N13
 1.49 with sigma of 0.02
 N13-C38
 1.49 with sigma of 0.01
 Dy2-H2WA \\sim Dy2-H2WB
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
N3 \\sim C38: within 2A with sigma of 0.007 and sigma for terminal atoms of
0.001 within 2A
C31 \\sim C32: within 2A with sigma of 0.007 and sigma for terminal atoms of
0.001 within 2A
C35 \\sim C36: within 2A with sigma of 0.007 and sigma for terminal atoms of
0.001 within 2A
O9 \\sim C35: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.001 within 2A
N13 \\sim C37: within 2A with sigma of 0.007 and sigma for terminal atoms of
0.001 within 2A
N13 \\sim C38: within 2A with sigma of 0.007 and sigma for terminal atoms of
0.001 within 2A
O8 \\sim C31: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002 within 2A
N12 \\sim C31: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002 within 2A
Uanis(O4W) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(N12) \\sim Ueq, Uanis(N13) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C31)
\\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C38) \\sim Ueq,
Uanis(C33) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C32) = Uanis(C33)
4.a Riding coordinates:
 O4W(H4WA,H4WB)
4.b Free rotating group:
 O2W(H2WA,H2WB)
4.c Rotating group:
 O1W(H1WA,H1WB), O3W(H3WA,H3WB)
4.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C11(H11), C12(H12), C16(H16), C17(H17),
 C18(H18), C20(H20), C24(H24), C25(H25)
4.e X=CH2 refined with riding coordinates:
 N5(H5A,H5B), N10(H10A,H10B)
4.f Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C26(H26A,H26B,H26C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,
 H34B,H34C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C),
 C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C46(H46A,H46B,
 H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C50(H50A,H50B,H50C), C51(H51A,
 H51B,H51C), C52(H52A,H52B,H52C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.9050(7) 0.8149(7) 0.7686(7) 0.0152(17) Uani 1 1 d . . . . .
C2 C 0.9659(8) 0.9145(8) 0.7513(7) 0.0183(18) Uani 1 1 d . . . . .
C3 C 1.0129(8) 0.9258(8) 0.8360(7) 0.0202(19) Uani 1 1 d . . . . .
H3 H 1.052282 0.993162 0.822368 0.024 Uiso 1 1 calc R U . . .
C4 C 1.0043(8) 0.8409(8) 0.9414(7) 0.022(2) Uani 1 1 d . . . . .
H4 H 1.037962 0.849782 0.999373 0.027 Uiso 1 1 calc R U . . .
C5 C 0.9465(8) 0.7433(8) 0.9614(7) 0.0185(19) Uani 1 1 d . . . . .
H5 H 0.941267 0.684864 1.033657 0.022 Uiso 1 1 calc R U . . .
C6 C 0.8948(7) 0.7285(7) 0.8763(7) 0.0142(17) Uani 1 1 d . . . . .
C7 C 0.8327(7) 0.6242(7) 0.9081(7) 0.0148(18) Uani 1 1 d . . . . .
H7 H 0.830571 0.572518 0.982906 0.018 Uiso 1 1 calc R U . . .
C8 C 0.6780(7) 0.4626(7) 0.8260(6) 0.0123(17) Uani 1 1 d . . . . .
C9 C 0.6118(7) 0.3571(7) 0.8681(7) 0.0150(17) Uani 1 1 d . . . . .
C10 C 0.6090(7) 0.2736(7) 0.9787(7) 0.0162(18) Uani 1 1 d . . . . .
C11 C 0.4886(8) 0.1712(8) 0.9290(7) 0.0194(19) Uani 1 1 d . . . . .
H11 H 0.445326 0.105480 0.947327 0.023 Uiso 1 1 calc R U . . .
C12 C 0.4902(8) 0.2532(8) 0.8227(7) 0.0200(19) Uani 1 1 d . . . . .
H12 H 0.447170 0.243815 0.769960 0.024 Uiso 1 1 calc R U . . .
C13 C 1.0456(10) 0.9646(9) 0.5769(8) 0.025(2) Uani 1 1 d . . . . .
H13A H 1.044626 1.029955 0.504209 0.037 Uiso 1 1 calc R U . . .
H13B H 1.016764 0.895386 0.573296 0.037 Uiso 1 1 calc R U . . .
H13C H 1.124052 0.942405 0.605172 0.037 Uiso 1 1 calc R U . . .
C14 C 0.3512(7) 0.4185(8) 0.5050(7) 0.0164(18) Uani 1 1 d . . . . .
C15 C 0.2803(8) 0.3250(8) 0.5297(7) 0.0194(19) Uani 1 1 d . . . . .
C16 C 0.2006(8) 0.3313(8) 0.4548(8) 0.023(2) Uani 1 1 d . . . . .
H16 H 0.155067 0.267568 0.471412 0.028 Uiso 1 1 calc R U . . .
C17 C 0.1869(9) 0.4310(9) 0.3548(8) 0.026(2) Uani 1 1 d . . . . .
H17 H 0.133318 0.434333 0.303155 0.031 Uiso 1 1 calc R U . . .
C18 C 0.2512(8) 0.5238(8) 0.3321(7) 0.021(2) Uani 1 1 d . . . . .
H18 H 0.240913 0.591991 0.264820 0.026 Uiso 1 1 calc R U . . .
C19 C 0.3329(8) 0.5194(8) 0.4075(7) 0.0170(18) Uani 1 1 d . . . . .
C20 C 0.3911(8) 0.6270(8) 0.3767(7) 0.0169(18) Uani 1 1 d . . . . .
H20 H 0.370034 0.692379 0.309655 0.020 Uiso 1 1 calc R U . . .
C21 C 0.5920(8) 0.7616(7) 0.4397(6) 0.0137(17) Uani 1 1 d . . . . .
C22 C 0.6361(7) 0.8796(7) 0.4077(7) 0.0145(17) Uani 1 1 d . . . . .
C23 C 0.6125(7) 0.9805(7) 0.3072(6) 0.0150(17) Uani 1 1 d . . . . .
C24 C 0.7302(8) 1.0825(8) 0.3589(7) 0.0198(19) Uani 1 1 d . . . . .
H24 H 0.767089 1.152021 0.342774 0.024 Uiso 1 1 calc R U . . .
C25 C 0.7492(8) 0.9869(8) 0.4591(7) 0.0198(19) Uani 1 1 d . . . . .
H25 H 0.794257 0.993621 0.512067 0.024 Uiso 1 1 calc R U . . .
C26 C 0.2252(10) 0.1393(9) 0.6640(9) 0.032(2) Uani 1 1 d . . . . .
H26A H 0.233846 0.097058 0.616904 0.048 Uiso 1 1 calc R U . . .
H26B H 0.146112 0.175656 0.660237 0.048 Uiso 1 1 calc R U . . .
H26C H 0.243939 0.082537 0.738801 0.048 Uiso 1 1 calc R U . . .
C27 C 0.9219(8) 0.6757(9) 0.4232(8) 0.026(2) Uani 1 1 d . . . . .
C28 C 0.9316(11) 0.5425(9) 0.4537(9) 0.036(3) Uani 1 1 d . . . . .
H28A H 0.891602 0.528041 0.399443 0.055 Uiso 1 1 calc R U . . .
H28B H 0.897029 0.502006 0.524777 0.055 Uiso 1 1 calc R U . . .
H28C H 1.012306 0.511323 0.456532 0.055 Uiso 1 1 calc R U . . .
C29 C 0.9838(11) 0.7104(10) 0.2386(8) 0.032(3) Uani 1 1 d . . . . .
H29A H 1.063439 0.725035 0.219983 0.047 Uiso 1 1 calc R U . . .
H29B H 0.935043 0.756418 0.174725 0.047 Uiso 1 1 calc R U . . .
H29C H 0.976837 0.624982 0.263137 0.047 Uiso 1 1 calc R U . . .
C30 C 0.9371(10) 0.8774(9) 0.2963(9) 0.034(2) Uani 1 1 d . . . . .
H30A H 0.860219 0.913121 0.267433 0.051 Uiso 1 1 calc R U . . .
H30B H 0.993876 0.914874 0.241463 0.051 Uiso 1 1 calc R U . . .
H30C H 0.949811 0.890087 0.361100 0.051 Uiso 1 1 calc R U . . .
C31 C 1.0284(12) 0.4986(10) 0.7284(11) 0.0494(13) Uani 1 1 d D U . . .
C32 C 1.1203(12) 0.5982(12) 0.6976(11) 0.0520(14) Uani 1 1 d . U . . .
H32A H 1.151513 0.595470 0.764276 0.078 Uiso 1 1 calc R U . . .
H32B H 1.081459 0.678170 0.655308 0.078 Uiso 1 1 calc R U . . .
H32C H 1.182578 0.580187 0.654903 0.078 Uiso 1 1 calc R U . . .
C33 C 1.1959(9) 0.3626(12) 0.7947(11) 0.0520(14) Uani 1 1 d D U . . .
H33A H 1.229890 0.437256 0.775488 0.078 Uiso 1 1 calc R U . . .
H33B H 1.230711 0.321630 0.751191 0.078 Uiso 1 1 calc R U . . .
H33C H 1.209643 0.311016 0.871687 0.078 Uiso 1 1 calc R U . . .
C34 C 0.9813(11) 0.3107(12) 0.7991(13) 0.058(4) Uani 1 1 d D . . . .
H34A H 0.922596 0.332995 0.842494 0.087 Uiso 1 1 calc R U . . .
H34B H 1.014011 0.227880 0.840253 0.087 Uiso 1 1 calc R U . . .
H34C H 0.946778 0.318312 0.731935 0.087 Uiso 1 1 calc R U . . .
C35 C 0.6191(10) 0.4632(10) 0.3553(8) 0.0402(14) Uani 1 1 d D U . . .
C36 C 0.5684(11) 0.3504(11) 0.3655(10) 0.0424(16) Uani 1 1 d . U . . .
H36A H 0.487424 0.370541 0.344787 0.064 Uiso 1 1 calc R U . . .
H36B H 0.575977 0.290072 0.440484 0.064 Uiso 1 1 calc R U . . .
H36C H 0.609507 0.318498 0.317559 0.064 Uiso 1 1 calc R U . . .
C37 C 0.5704(12) 0.5309(13) 0.1626(10) 0.055(2) Uani 1 1 d D U . . .
H37A H 0.619877 0.566475 0.100210 0.083 Uiso 1 1 calc R U . . .
H37B H 0.493250 0.573467 0.146142 0.083 Uiso 1 1 calc R U . . .
H37C H 0.567358 0.446527 0.178613 0.083 Uiso 1 1 calc R U . . .
C38 C 0.6738(12) 0.6481(11) 0.2412(12) 0.057(2) Uani 1 1 d D U . . .
H38A H 0.697381 0.641676 0.311793 0.086 Uiso 1 1 calc R U . . .
H38B H 0.620441 0.720475 0.206375 0.086 Uiso 1 1 calc R U . . .
H38C H 0.741121 0.652505 0.195420 0.086 Uiso 1 1 calc R U . . .
Dy1 Dy 0.77370(3) 0.68928(3) 0.64178(3) 0.01236(14) Uani 1 1 d . . . . .
Dy2 Dy 0.57505(3) 0.48581(3) 0.59474(3) 0.01365(15) Uani 1 1 d D . . . .
N1 N 0.7799(6) 0.5970(6) 0.8410(5) 0.0130(14) Uani 1 1 d . . . . .
N2 N 0.7284(6) 0.4899(6) 0.8948(6) 0.0153(15) Uani 1 1 d . . . . .
N3 N 0.5513(6) 0.3454(6) 0.7930(6) 0.0147(15) Uani 1 1 d . . . . .
N4 N 0.5458(7) 0.1804(6) 1.0081(6) 0.0193(16) Uani 1 1 d . . . . .
N5 N 0.6658(7) 0.2824(7) 1.0576(6) 0.0208(17) Uani 1 1 d . . . . .
H5A H 0.661123 0.229107 1.124837 0.025 Uiso 1 1 calc R U . . .
H5B H 0.707887 0.341502 1.042129 0.025 Uiso 1 1 calc R U . . .
N6 N 0.4687(6) 0.6398(6) 0.4337(5) 0.0147(15) Uani 1 1 d . . . . .
N7 N 0.5066(6) 0.7552(6) 0.3860(5) 0.0151(15) Uani 1 1 d . . . . .
N8 N 0.7041(6) 0.8852(6) 0.4813(5) 0.0140(15) Uani 1 1 d . . . . .
N9 N 0.6620(7) 1.0802(7) 0.2846(6) 0.0209(16) Uani 1 1 d . . . . .
N10 N 0.5415(7) 0.9808(6) 0.2328(6) 0.0212(16) Uani 1 1 d . . . . .
H10A H 0.528825 1.044968 0.171596 0.025 Uiso 1 1 calc R U . . .
H10B H 0.507585 0.916878 0.245047 0.025 Uiso 1 1 calc R U . . .
N11 N 0.9480(8) 0.7470(8) 0.3248(7) 0.0286(19) Uani 1 1 d . . . . .
N12 N 1.0711(8) 0.3898(9) 0.7731(9) 0.0514(14) Uani 1 1 d D U . . .
N13 N 0.6161(10) 0.5402(9) 0.2566(8) 0.0571(19) Uani 1 1 d D U . . .
O1 O 0.9738(6) 1.0031(5) 0.6477(5) 0.0206(13) Uani 1 1 d . . . . .
O1W O 0.5971(6) 0.7703(6) 0.6992(5) 0.0245(14) Uani 1 1 d . . . . .
H1WA H 0.542657 0.784092 0.652696 0.037 Uiso 1 1 d R U . . .
H1WB H 0.573662 0.716283 0.759456 0.037 Uiso 1 1 d R U . . .
O2 O 0.8597(6) 0.8089(5) 0.6839(5) 0.0177(13) Uani 1 1 d . . . . .
O2W O 0.7207(6) 0.3280(6) 0.6387(5) 0.0276(15) Uani 1 1 d G . . . .
H2WA H 0.770159 0.312351 0.595838 0.041 Uiso 1 1 d DG U . . .
H2WB H 0.736998 0.270683 0.702368 0.041 Uiso 1 1 d DG U . . .
O3 O 0.6778(6) 0.5216(5) 0.7219(5) 0.0136(13) Uani 1 1 d . . . . .
O4 O 0.3008(6) 0.2308(6) 0.6292(6) 0.0229(16) Uani 1 1 d . . . . .
O5 O 0.4315(6) 0.4024(6) 0.5754(5) 0.0204(13) Uani 1 1 d . . . . .
O6 O 0.6425(5) 0.6725(5) 0.5236(5) 0.0142(14) Uani 1 1 d . . . . .
O7 O 0.8903(6) 0.7175(6) 0.4909(5) 0.0250(14) Uani 1 1 d . . . . .
O8 O 0.9264(7) 0.5383(8) 0.7010(7) 0.0428(13) Uani 1 1 d . U . . .
O9 O 0.6567(7) 0.4793(7) 0.4326(6) 0.0346(13) Uani 1 1 d . U . . .
O3W O 0.4281(5) 0.5907(6) 0.6636(5) 0.0225(14) Uani 1 1 d . . . . .
H3WA H 0.451884 0.590301 0.723385 0.034 Uiso 1 1 d R U . . .
H3WB H 0.418741 0.665978 0.619045 0.034 Uiso 1 1 d R U . . .
C39 C 0.2058(12) 1.0134(12) 0.0848(10) 0.050(3) Uani 1 1 d . . . . .
F1 F 0.2486(8) 1.1183(8) 0.0495(9) 0.075(3) Uani 1 1 d . . . . .
F2 F 0.1039(7) 1.0347(8) 0.0352(7) 0.068(2) Uani 1 1 d . . . . .
F3 F 0.1849(8) 0.9765(11) 0.1892(7) 0.084(3) Uani 1 1 d . . . . .
O10 O 0.4034(7) 0.8936(9) 0.1165(7) 0.045(2) Uani 1 1 d . . . . .
O11 O 0.3118(9) 0.9595(8) -0.0573(7) 0.050(2) Uani 1 1 d . . . . .
O12 O 0.2418(7) 0.7979(8) 0.0993(7) 0.051(2) Uani 1 1 d . . . . .
S1 S 0.3018(3) 0.9027(3) 0.0583(2) 0.0379(7) Uani 1 1 d . . . . .
C40 C 1.0001(11) 0.2834(11) 0.1438(11) 0.042(3) Uani 1 1 d . . . . .
F4 F 0.9743(8) 0.1748(7) 0.1733(8) 0.072(3) Uani 1 1 d . . . . .
F5 F 1.1143(7) 0.2762(8) 0.1605(7) 0.063(2) Uani 1 1 d . . . . .
F6 F 0.9817(8) 0.3460(8) 0.0392(6) 0.065(2) Uani 1 1 d . . . . .
O13 O 0.9590(8) 0.2780(7) 0.3300(6) 0.047(2) Uani 1 1 d . . . . .
O14 O 0.8048(6) 0.3547(6) 0.1980(6) 0.0327(16) Uani 1 1 d . . . . .
O15 O 0.9591(7) 0.4729(6) 0.1810(6) 0.0346(17) Uani 1 1 d . . . . .
S2 S 0.9208(2) 0.3566(2) 0.22270(18) 0.0249(5) Uani 1 1 d . . . . .
C41 C 0.7387(16) 0.0451(16) 0.8926(14) 0.077(5) Uani 1 1 d . . . . .
C42 C 0.7589(17) -0.0137(18) 1.0118(15) 0.081(5) Uani 1 1 d . U . . .
H42A H 0.685735 -0.029672 1.049215 0.122 Uiso 1 1 calc R U . . .
H42B H 0.796361 0.039090 1.034063 0.122 Uiso 1 1 calc R U . . .
H42C H 0.808041 -0.089175 1.030679 0.122 Uiso 1 1 calc R U . . .
C43 C 0.6236(18) -0.1257(16) 0.9237(17) 0.093(7) Uani 1 1 d . . . . .
H43A H 0.647321 -0.157599 0.999761 0.139 Uiso 1 1 calc R U . . .
H43B H 0.645735 -0.185820 0.895448 0.139 Uiso 1 1 calc R U . . .
H43C H 0.540449 -0.105630 0.918249 0.139 Uiso 1 1 calc R U . . .
C44 C 0.6570(13) 0.0341(12) 0.7376(12) 0.053(3) Uani 1 1 d . . . . .
H44A H 0.579928 0.076778 0.721338 0.080 Uiso 1 1 calc R U . . .
H44B H 0.663234 -0.031737 0.715042 0.080 Uiso 1 1 calc R U . . .
H44C H 0.713134 0.089281 0.698434 0.080 Uiso 1 1 calc R U . . .
N14 N 0.6801(13) -0.0162(13) 0.8596(17) 0.088(5) Uani 1 1 d . . . . .
O17 O 0.7727(8) 0.1428(7) 0.8267(7) 0.050(2) Uani 1 1 d . . . . .
C45 C 0.3619(10) 0.6284(11) 0.8951(9) 0.037(3) Uani 1 1 d . . . . .
C46 C 0.2985(13) 0.7528(13) 0.8454(11) 0.058(4) Uani 1 1 d . . . . .
H46A H 0.218291 0.747485 0.833569 0.086 Uiso 1 1 calc R U . . .
H46B H 0.333313 0.799733 0.775998 0.086 Uiso 1 1 calc R U . . .
H46C H 0.302843 0.791692 0.894409 0.086 Uiso 1 1 calc R U . . .
C47 C 0.2044(12) 0.5661(13) 1.0289(11) 0.053(3) Uani 1 1 d . . . . .
H47A H 0.195423 0.648048 1.023299 0.080 Uiso 1 1 calc R U . . .
H47B H 0.203588 0.509652 1.105282 0.080 Uiso 1 1 calc R U . . .
H47C H 0.141508 0.555243 0.990331 0.080 Uiso 1 1 calc R U . . .
C48 C 0.3681(15) 0.4211(13) 1.0300(14) 0.060(4) Uani 1 1 d . . . . .
H48A H 0.352663 0.379343 0.985639 0.091 Uiso 1 1 calc R U . . .
H48B H 0.337057 0.380248 1.102656 0.091 Uiso 1 1 calc R U . . .
H48C H 0.450808 0.421034 1.035165 0.091 Uiso 1 1 calc R U . . .
N15 N 0.3144(8) 0.5440(9) 0.9803(8) 0.040(2) Uani 1 1 d . . . . .
O16 O 0.4542(7) 0.6020(8) 0.8574(6) 0.046(2) Uani 1 1 d . . . . .
C49 C 0.3472(11) 0.9126(11) 0.4906(10) 0.046(3) Uani 1 1 d . . . . .
C50 C 0.2618(10) 0.8765(11) 0.4324(10) 0.040(3) Uani 1 1 d . . . . .
H50A H 0.196397 0.938260 0.407699 0.059 Uiso 1 1 calc R U . . .
H50B H 0.235344 0.800352 0.482137 0.059 Uiso 1 1 calc R U . . .
H50C H 0.298537 0.867504 0.369926 0.059 Uiso 1 1 calc R U . . .
C51 C 0.3167(14) 1.1112(12) 0.3436(10) 0.061(4) Uani 1 1 d . . . . .
H51A H 0.247255 1.155728 0.355804 0.092 Uiso 1 1 calc R U . . .
H51B H 0.297818 1.069520 0.300252 0.092 Uiso 1 1 calc R U . . .
H51C H 0.372631 1.166871 0.305015 0.092 Uiso 1 1 calc R U . . .
C52 C 0.4444(11) 1.0633(10) 0.5038(10) 0.040(3) Uani 1 1 d . . . . .
H52A H 0.439647 1.015921 0.582037 0.059 Uiso 1 1 calc R U . . .
H52B H 0.423955 1.148106 0.487054 0.059 Uiso 1 1 calc R U . . .
H52C H 0.522602 1.051486 0.479657 0.059 Uiso 1 1 calc R U . . .
N16 N 0.3645(11) 1.0245(10) 0.4471(9) 0.057(3) Uani 1 1 d . . . . .
O23 O 0.3980(6) 0.8389(6) 0.5755(5) 0.0320(16) Uani 1 1 d . . . . .
O4W O 0.8658(13) 0.2342(10) 0.5322(9) 0.114(5) Uani 1 1 d . U . . .
H4WA H 0.894635 0.247797 0.468721 0.171 Uiso 1 1 d R U . . .
H4WB H 0.897975 0.163627 0.574381 0.171 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.430(12) . ?
C1 C6 1.416(12) . ?
C1 O2 1.325(10) . ?
C2 C3 1.366(13) . ?
C2 O1 1.384(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(13) . ?
C4 H4 0.9500 . ?
C4 C5 1.380(13) . ?
C5 H5 0.9500 . ?
C5 C6 1.420(11) . ?
C6 C7 1.457(12) . ?
C7 H7 0.9500 . ?
C7 N1 1.301(11) . ?
C8 C9 1.491(12) . ?
C8 N2 1.306(11) . ?
C8 O3 1.293(10) . ?
C9 C10 1.426(12) . ?
C9 N3 1.337(11) . ?
C10 N4 1.356(12) . ?
C10 N5 1.338(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.376(13) . ?
C11 N4 1.346(12) . ?
C12 H12 0.9500 . ?
C12 N3 1.331(12) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 O1 1.448(12) . ?
C14 C15 1.426(13) . ?
C14 C19 1.393(13) . ?
C14 O5 1.314(10) . ?
C15 C16 1.388(13) . ?
C15 O4 1.375(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.402(14) . ?
C17 H17 0.9500 . ?
C17 C18 1.372(14) . ?
C18 H18 0.9500 . ?
C18 C19 1.418(12) . ?
C19 C20 1.466(13) . ?
C20 H20 0.9500 . ?
C20 N6 1.289(11) . ?
C21 C22 1.491(12) . ?
C21 N7 1.299(11) . ?
C21 O6 1.313(10) . ?
C22 C23 1.424(12) . ?
C22 N8 1.339(11) . ?
C23 N9 1.341(12) . ?
C23 N10 1.340(11) . ?
C24 H24 0.9500 . ?
C24 C25 1.386(13) . ?
C24 N9 1.330(12) . ?
C25 H25 0.9500 . ?
C25 N8 1.337(12) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C26 O4 1.434(12) . ?
C27 C28 1.516(14) . ?
C27 N11 1.306(13) . ?
C27 O7 1.259(12) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C29 N11 1.457(13) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30 N11 1.486(13) . ?
C31 C32 1.648(19) . ?
C31 N12 1.273(11) . ?
C31 O8 1.253(15) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C33 N12 1.483(11) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C34 N12 1.459(11) . ?
C35 C36 1.537(18) . ?
C35 N13 1.280(11) . ?
C35 O9 1.257(13) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C37 N13 1.462(10) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C38 N13 1.505(9) . ?
Dy1 Dy2 3.8911(5) . ?
Dy1 N1 2.461(7) . ?
Dy1 N8 2.563(7) . ?
Dy1 O1W 2.446(6) . ?
Dy1 O2 2.163(6) . ?
Dy1 O3 2.310(6) . ?
Dy1 O6 2.365(6) . ?
Dy1 O7 2.344(6) . ?
Dy1 O8 2.336(8) . ?
Dy2 N3 2.548(7) . ?
Dy2 N6 2.485(7) . ?
Dy2 O2W 2.335(6) . ?
Dy2 O3 2.369(6) . ?
Dy2 O5 2.163(6) . ?
Dy2 O6 2.327(6) . ?
Dy2 O9 2.399(7) . ?
Dy2 O3W 2.435(6) . ?
N1 N2 1.415(10) . ?
N5 H5A 0.8800 . ?
N5 H5B 0.8800 . ?
N6 N7 1.419(10) . ?
N10 H10A 0.8800 . ?
N10 H10B 0.8800 . ?
O1W H1WA 0.8716 . ?
O1W H1WB 0.8718 . ?
O2W H2WA 0.8694 . ?
O2W H2WB 0.8704 . ?
O3W H3WA 0.8699 . ?
O3W H3WB 0.8701 . ?
C39 F1 1.337(15) . ?
C39 F2 1.346(15) . ?
C39 F3 1.320(16) . ?
C39 S1 1.820(16) . ?
O10 S1 1.431(8) . ?
O11 S1 1.435(9) . ?
O12 S1 1.440(9) . ?
C40 F4 1.304(16) . ?
C40 F5 1.360(15) . ?
C40 F6 1.318(16) . ?
C40 S2 1.839(13) . ?
O13 S2 1.430(8) . ?
O14 S2 1.427(8) . ?
O15 S2 1.432(7) . ?
C41 C42 1.49(2) . ?
C41 N14 1.30(3) . ?
C41 O17 1.27(2) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C43 N14 1.49(2) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C44 N14 1.53(2) . ?
C45 C46 1.514(17) . ?
C45 N15 1.348(16) . ?
C45 O16 1.250(14) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C47 N15 1.479(16) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C48 N15 1.458(16) . ?
C49 C50 1.522(19) . ?
C49 N16 1.298(18) . ?
C49 O23 1.254(14) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C51 N16 1.453(15) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C52 N16 1.481(18) . ?
O4W H4WA 0.8702 . ?
O4W H4WB 0.8701 . ?

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
C6 C1 C2 118.0(7) . . ?
O2 C1 C2 118.6(8) . . ?
O2 C1 C6 123.4(8) . . ?
C3 C2 C1 121.0(8) . . ?
C3 C2 O1 119.3(8) . . ?
O1 C2 C1 119.7(7) . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.3(8) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.4(8) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.3(8) . . ?
C6 C5 H5 119.3 . . ?
C1 C6 C5 118.9(8) . . ?
C1 C6 C7 124.9(7) . . ?
C5 C6 C7 116.2(8) . . ?
C6 C7 H7 117.7 . . ?
N1 C7 C6 124.5(8) . . ?
N1 C7 H7 117.7 . . ?
N2 C8 C9 119.0(7) . . ?
O3 C8 C9 115.5(7) . . ?
O3 C8 N2 125.5(8) . . ?
C10 C9 C8 124.9(7) . . ?
N3 C9 C8 114.6(7) . . ?
N3 C9 C10 120.6(8) . . ?
N4 C10 C9 120.0(8) . . ?
N5 C10 C9 123.1(8) . . ?
N5 C10 N4 116.9(8) . . ?
C12 C11 H11 118.7 . . ?
N4 C11 H11 118.7 . . ?
N4 C11 C12 122.6(8) . . ?
C11 C12 H12 119.6 . . ?
N3 C12 C11 120.8(8) . . ?
N3 C12 H12 119.6 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O1 C13 H13A 109.5 . . ?
O1 C13 H13B 109.5 . . ?
O1 C13 H13C 109.5 . . ?
C19 C14 C15 118.3(8) . . ?
O5 C14 C15 117.4(8) . . ?
O5 C14 C19 124.2(8) . . ?
C16 C15 C14 120.5(8) . . ?
O4 C15 C14 114.7(8) . . ?
O4 C15 C16 124.7(8) . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(9) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.6(8) . . ?
C18 C17 H17 120.2 . . ?
C17 C18 H18 119.5 . . ?
C17 C18 C19 120.9(8) . . ?
C19 C18 H18 119.5 . . ?
C14 C19 C18 120.1(8) . . ?
C14 C19 C20 124.1(8) . . ?
C18 C19 C20 115.8(8) . . ?
C19 C20 H20 117.5 . . ?
N6 C20 C19 125.0(8) . . ?
N6 C20 H20 117.5 . . ?
N7 C21 C22 118.8(7) . . ?
N7 C21 O6 125.4(8) . . ?
O6 C21 C22 115.8(7) . . ?
C23 C22 C21 124.9(7) . . ?
N8 C22 C21 114.7(7) . . ?
N8 C22 C23 120.4(8) . . ?
N9 C23 C22 119.8(8) . . ?
N10 C23 C22 122.5(8) . . ?
N10 C23 N9 117.7(7) . . ?
C25 C24 H24 118.9 . . ?
N9 C24 H24 118.9 . . ?
N9 C24 C25 122.3(8) . . ?
C24 C25 H25 120.0 . . ?
N8 C25 C24 120.0(8) . . ?
N8 C25 H25 120.0 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O4 C26 H26A 109.5 . . ?
O4 C26 H26B 109.5 . . ?
O4 C26 H26C 109.5 . . ?
N11 C27 C28 118.6(9) . . ?
O7 C27 C28 121.2(9) . . ?
O7 C27 N11 120.2(9) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N11 C29 H29A 109.5 . . ?
N11 C29 H29B 109.5 . . ?
N11 C29 H29C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N11 C30 H30A 109.5 . . ?
N11 C30 H30B 109.5 . . ?
N11 C30 H30C 109.5 . . ?
N12 C31 C32 115.5(11) . . ?
O8 C31 C32 116.6(10) . . ?
O8 C31 N12 127.9(12) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N12 C33 H33A 109.5 . . ?
N12 C33 H33B 109.5 . . ?
N12 C33 H33C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N12 C34 H34A 109.5 . . ?
N12 C34 H34B 109.5 . . ?
N12 C34 H34C 109.5 . . ?
N13 C35 C36 110.3(10) . . ?
O9 C35 C36 125.3(10) . . ?
O9 C35 N13 124.4(11) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N13 C37 H37A 109.5 . . ?
N13 C37 H37B 109.5 . . ?
N13 C37 H37C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N13 C38 H38A 109.5 . . ?
N13 C38 H38B 109.5 . . ?
N13 C38 H38C 109.5 . . ?
N1 Dy1 Dy2 99.43(16) . . ?
N1 Dy1 N8 141.2(2) . . ?
N8 Dy1 Dy2 97.68(16) . . ?
O1W Dy1 Dy2 83.62(16) . . ?
O1W Dy1 N1 74.2(2) . . ?
O1W Dy1 N8 73.4(2) . . ?
O2 Dy1 Dy2 170.04(18) . . ?
O2 Dy1 N1 75.4(2) . . ?
O2 Dy1 N8 82.0(2) . . ?
O2 Dy1 O1W 86.8(2) . . ?
O2 Dy1 O3 140.5(2) . . ?
O2 Dy1 O6 146.3(2) . . ?
O2 Dy1 O7 92.7(2) . . ?
O2 Dy1 O8 93.0(3) . . ?
O3 Dy1 Dy2 34.22(14) . . ?
O3 Dy1 N1 65.4(2) . . ?
O3 Dy1 N8 126.7(2) . . ?
O3 Dy1 O1W 78.4(2) . . ?
O3 Dy1 O6 66.83(19) . . ?
O3 Dy1 O7 121.0(2) . . ?
O3 Dy1 O8 79.0(3) . . ?
O6 Dy1 Dy2 33.66(15) . . ?
O6 Dy1 N1 129.2(2) . . ?
O6 Dy1 N8 64.6(2) . . ?
O6 Dy1 O1W 80.4(2) . . ?
O7 Dy1 Dy2 96.54(17) . . ?
O7 Dy1 N1 141.5(2) . . ?
O7 Dy1 N8 69.6(2) . . ?
O7 Dy1 O1W 142.7(2) . . ?
O7 Dy1 O6 79.7(2) . . ?
O8 Dy1 Dy2 93.2(2) . . ?
O8 Dy1 N1 70.8(3) . . ?
O8 Dy1 N8 142.4(3) . . ?
O8 Dy1 O1W 143.8(3) . . ?
O8 Dy1 O6 115.5(2) . . ?
O8 Dy1 O7 73.5(3) . . ?
N3 Dy2 Dy1 97.11(16) . . ?
N6 Dy2 Dy1 98.52(16) . . ?
N6 Dy2 N3 142.8(2) . . ?
O2W Dy2 Dy1 92.22(18) . . ?
O2W Dy2 N3 72.5(2) . . ?
O2W Dy2 N6 139.9(2) . . ?
O2W Dy2 O3 80.6(2) . . ?
O2W Dy2 O9 70.1(2) . . ?
O2W Dy2 O3W 146.1(2) . . ?
O3 Dy2 Dy1 33.25(15) . . ?
O3 Dy2 N3 63.9(2) . . ?
O3 Dy2 N6 126.3(2) . . ?
O3 Dy2 O9 123.9(2) . . ?
O3 Dy2 O3W 77.6(2) . . ?
O5 Dy2 Dy1 165.76(19) . . ?
O5 Dy2 N3 81.9(2) . . ?
O5 Dy2 N6 74.8(2) . . ?
O5 Dy2 O2W 101.0(3) . . ?
O5 Dy2 O3 143.9(2) . . ?
O5 Dy2 O6 139.3(2) . . ?
O5 Dy2 O9 89.4(3) . . ?
O5 Dy2 O3W 82.5(2) . . ?
O6 Dy2 Dy1 34.29(14) . . ?
O6 Dy2 N3 128.2(2) . . ?
O6 Dy2 N6 64.9(2) . . ?
O6 Dy2 O2W 113.1(2) . . ?
O6 Dy2 O3 66.50(19) . . ?
O6 Dy2 O9 82.4(2) . . ?
O6 Dy2 O3W 81.2(2) . . ?
O9 Dy2 Dy1 100.23(19) . . ?
O9 Dy2 N3 139.1(2) . . ?
O9 Dy2 N6 70.0(2) . . ?
O9 Dy2 O3W 143.8(2) . . ?
O3W Dy2 Dy1 83.56(15) . . ?
O3W Dy2 N3 74.7(2) . . ?
O3W Dy2 N6 73.8(2) . . ?
C7 N1 Dy1 130.4(6) . . ?
C7 N1 N2 111.9(7) . . ?
N2 N1 Dy1 117.3(5) . . ?
C8 N2 N1 111.1(7) . . ?
C9 N3 Dy2 118.8(6) . . ?
C12 N3 C9 118.9(7) . . ?
C12 N3 Dy2 121.9(5) . . ?
C11 N4 C10 117.1(7) . . ?
C10 N5 H5A 120.0 . . ?
C10 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C20 N6 Dy2 128.9(6) . . ?
C20 N6 N7 112.7(7) . . ?
N7 N6 Dy2 117.7(5) . . ?
C21 N7 N6 111.2(7) . . ?
C22 N8 Dy1 117.9(5) . . ?
C25 N8 C22 119.0(7) . . ?
C25 N8 Dy1 121.9(5) . . ?
C24 N9 C23 118.4(7) . . ?
C23 N10 H10A 120.0 . . ?
C23 N10 H10B 120.0 . . ?
H10A N10 H10B 120.0 . . ?
C27 N11 C29 125.6(9) . . ?
C27 N11 C30 117.7(8) . . ?
C29 N11 C30 116.6(8) . . ?
C31 N12 C33 118.9(11) . . ?
C31 N12 C34 110.2(11) . . ?
C34 N12 C33 130.8(11) . . ?
C35 N13 C37 128.1(11) . . ?
C35 N13 C38 112.2(10) . . ?
C37 N13 C38 119.7(11) . . ?
C2 O1 C13 113.5(7) . . ?
Dy1 O1W H1WA 109.6 . . ?
Dy1 O1W H1WB 109.6 . . ?
H1WA O1W H1WB 104.5 . . ?
C1 O2 Dy1 140.7(5) . . ?
Dy2 O2W H2WA 128.4 . . ?
Dy2 O2W H2WB 127.1 . . ?
H2WA O2W H2WB 104.5 . . ?
C8 O3 Dy1 120.5(5) . . ?
C8 O3 Dy2 126.8(5) . . ?
Dy1 O3 Dy2 112.5(2) . . ?
C15 O4 C26 117.8(7) . . ?
C14 O5 Dy2 140.6(6) . . ?
C21 O6 Dy1 125.7(5) . . ?
C21 O6 Dy2 120.7(5) . . ?
Dy2 O6 Dy1 112.1(2) . . ?
C27 O7 Dy1 143.8(7) . . ?
C31 O8 Dy1 153.8(8) . . ?
C35 O9 Dy2 134.5(7) . . ?
Dy2 O3W H3WA 109.5 . . ?
Dy2 O3W H3WB 109.5 . . ?
H3WA O3W H3WB 104.5 . . ?
F1 C39 F2 106.7(11) . . ?
F1 C39 S1 111.7(10) . . ?
F2 C39 S1 111.9(9) . . ?
F3 C39 F1 108.6(12) . . ?
F3 C39 F2 106.6(11) . . ?
F3 C39 S1 111.1(10) . . ?
O10 S1 C39 103.2(6) . . ?
O10 S1 O11 114.6(5) . . ?
O10 S1 O12 115.5(5) . . ?
O11 S1 C39 101.7(6) . . ?
O11 S1 O12 115.2(5) . . ?
O12 S1 C39 104.0(6) . . ?
F4 C40 F5 107.5(10) . . ?
F4 C40 F6 110.2(11) . . ?
F4 C40 S2 111.4(10) . . ?
F5 C40 S2 109.6(9) . . ?
F6 C40 F5 106.7(11) . . ?
F6 C40 S2 111.2(8) . . ?
O13 S2 C40 100.9(6) . . ?
O13 S2 O15 115.2(5) . . ?
O14 S2 C40 102.4(5) . . ?
O14 S2 O13 116.1(5) . . ?
O14 S2 O15 115.0(4) . . ?
O15 S2 C40 104.2(6) . . ?
N14 C41 C42 112.3(19) . . ?
O17 C41 C42 127(2) . . ?
O17 C41 N14 121.2(18) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N14 C43 H43A 109.5 . . ?
N14 C43 H43B 109.5 . . ?
N14 C43 H43C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N14 C44 H44A 109.5 . . ?
N14 C44 H44B 109.5 . . ?
N14 C44 H44C 109.5 . . ?
C41 N14 C43 130(2) . . ?
C41 N14 C44 116.8(16) . . ?
C43 N14 C44 113.4(15) . . ?
N15 C45 C46 118.1(11) . . ?
O16 C45 C46 121.8(12) . . ?
O16 C45 N15 120.0(10) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
N15 C47 H47A 109.5 . . ?
N15 C47 H47B 109.5 . . ?
N15 C47 H47C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N15 C48 H48A 109.5 . . ?
N15 C48 H48B 109.5 . . ?
N15 C48 H48C 109.5 . . ?
C45 N15 C47 123.8(10) . . ?
C45 N15 C48 121.4(11) . . ?
C48 N15 C47 114.8(12) . . ?
N16 C49 C50 116.0(11) . . ?
O23 C49 C50 122.1(12) . . ?
O23 C49 N16 121.8(14) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
N16 C51 H51A 109.5 . . ?
N16 C51 H51B 109.5 . . ?
N16 C51 H51C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N16 C52 H52A 109.5 . . ?
N16 C52 H52B 109.5 . . ?
N16 C52 H52C 109.5 . . ?
C49 N16 C51 124.1(14) . . ?
C49 N16 C52 117.3(11) . . ?
C51 N16 C52 118.5(12) . . ?
H4WA O4W H4WB 104.5 . . ?

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
C1 C2 C3 C4 0.6(14) . . . . ?
C1 C2 O1 C13 -69.7(10) . . . . ?
C1 C6 C7 N1 0.8(13) . . . . ?
C2 C1 C6 C5 -1.0(12) . . . . ?
C2 C1 C6 C7 177.9(8) . . . . ?
C2 C1 O2 Dy1 173.1(6) . . . . ?
C2 C3 C4 C5 -0.4(14) . . . . ?
C3 C2 O1 C13 112.7(9) . . . . ?
C3 C4 C5 C6 -0.5(14) . . . . ?
C4 C5 C6 C1 1.2(13) . . . . ?
C4 C5 C6 C7 -177.8(8) . . . . ?
C5 C6 C7 N1 179.7(8) . . . . ?
C6 C1 C2 C3 0.1(13) . . . . ?
C6 C1 C2 O1 -177.4(7) . . . . ?
C6 C1 O2 Dy1 -8.0(14) . . . . ?
C6 C7 N1 Dy1 6.1(12) . . . . ?
C6 C7 N1 N2 179.2(7) . . . . ?
C7 N1 N2 C8 -178.6(7) . . . . ?
C8 C9 C10 N4 -179.9(8) . . . . ?
C8 C9 C10 N5 0.7(14) . . . . ?
C8 C9 N3 C12 179.4(8) . . . . ?
C8 C9 N3 Dy2 6.5(9) . . . . ?
C9 C8 N2 N1 -175.7(7) . . . . ?
C9 C8 O3 Dy1 179.2(5) . . . . ?
C9 C8 O3 Dy2 4.0(10) . . . . ?
C9 C10 N4 C11 0.6(12) . . . . ?
C10 C9 N3 C12 -1.3(12) . . . . ?
C10 C9 N3 Dy2 -174.2(6) . . . . ?
C11 C12 N3 C9 0.3(13) . . . . ?
C11 C12 N3 Dy2 172.9(6) . . . . ?
C12 C11 N4 C10 -1.6(13) . . . . ?
C14 C15 C16 C17 -1.5(14) . . . . ?
C14 C15 O4 C26 173.9(8) . . . . ?
C14 C19 C20 N6 2.7(14) . . . . ?
C15 C14 C19 C18 -4.6(13) . . . . ?
C15 C14 C19 C20 173.5(8) . . . . ?
C15 C14 O5 Dy2 173.8(7) . . . . ?
C15 C16 C17 C18 -1.3(15) . . . . ?
C16 C15 O4 C26 -8.2(14) . . . . ?
C16 C17 C18 C19 1.1(15) . . . . ?
C17 C18 C19 C14 1.9(14) . . . . ?
C17 C18 C19 C20 -176.3(9) . . . . ?
C18 C19 C20 N6 -179.2(9) . . . . ?
C19 C14 C15 C16 4.4(13) . . . . ?
C19 C14 C15 O4 -177.5(8) . . . . ?
C19 C14 O5 Dy2 -4.8(15) . . . . ?
C19 C20 N6 Dy2 12.0(13) . . . . ?
C19 C20 N6 N7 -177.6(8) . . . . ?
C20 N6 N7 C21 -173.9(8) . . . . ?
C21 C22 C23 N9 -176.2(8) . . . . ?
C21 C22 C23 N10 4.0(14) . . . . ?
C21 C22 N8 C25 179.0(8) . . . . ?
C21 C22 N8 Dy1 10.9(9) . . . . ?
C22 C21 N7 N6 -174.2(7) . . . . ?
C22 C21 O6 Dy1 10.2(10) . . . . ?
C22 C21 O6 Dy2 174.6(5) . . . . ?
C22 C23 N9 C24 -1.7(13) . . . . ?
C23 C22 N8 C25 0.2(12) . . . . ?
C23 C22 N8 Dy1 -168.0(6) . . . . ?
C24 C25 N8 C22 -3.4(13) . . . . ?
C24 C25 N8 Dy1 164.3(7) . . . . ?
C25 C24 N9 C23 -1.6(14) . . . . ?
C28 C27 N11 C29 1.6(16) . . . . ?
C28 C27 N11 C30 179.5(10) . . . . ?
C28 C27 O7 Dy1 -32.1(16) . . . . ?
C32 C31 N12 C33 0.9(18) . . . . ?
C32 C31 N12 C34 178.4(11) . . . . ?
C32 C31 O8 Dy1 -14(3) . . . . ?
C36 C35 N13 C37 1.4(19) . . . . ?
C36 C35 N13 C38 -175.2(10) . . . . ?
C36 C35 O9 Dy2 -60.5(15) . . . . ?
Dy1 N1 N2 C8 -4.5(8) . . . . ?
Dy2 N6 N7 C21 -2.4(9) . . . . ?
N2 C8 C9 C10 -7.6(13) . . . . ?
N2 C8 C9 N3 171.7(7) . . . . ?
N2 C8 O3 Dy1 0.8(11) . . . . ?
N2 C8 O3 Dy2 -174.4(6) . . . . ?
N3 C9 C10 N4 0.9(12) . . . . ?
N3 C9 C10 N5 -178.5(8) . . . . ?
N4 C11 C12 N3 1.3(14) . . . . ?
N5 C10 N4 C11 -180.0(8) . . . . ?
N7 C21 C22 C23 -16.5(13) . . . . ?
N7 C21 C22 N8 164.7(8) . . . . ?
N7 C21 O6 Dy1 -167.8(6) . . . . ?
N7 C21 O6 Dy2 -3.5(12) . . . . ?
N8 C22 C23 N9 2.5(13) . . . . ?
N8 C22 C23 N10 -177.3(8) . . . . ?
N9 C24 C25 N8 4.2(14) . . . . ?
N10 C23 N9 C24 178.1(8) . . . . ?
N11 C27 O7 Dy1 148.4(8) . . . . ?
N12 C31 O8 Dy1 169.0(12) . . . . ?
N13 C35 O9 Dy2 118.4(12) . . . . ?
O1 C2 C3 C4 178.2(8) . . . . ?
O2 C1 C2 C3 179.1(8) . . . . ?
O2 C1 C2 O1 1.5(12) . . . . ?
O2 C1 C6 C5 -179.9(8) . . . . ?
O2 C1 C6 C7 -1.0(13) . . . . ?
O3 C8 C9 C10 174.0(8) . . . . ?
O3 C8 C9 N3 -6.7(11) . . . . ?
O3 C8 N2 N1 2.6(12) . . . . ?
O4 C15 C16 C17 -179.4(9) . . . . ?
O5 C14 C15 C16 -174.2(8) . . . . ?
O5 C14 C15 O4 3.8(12) . . . . ?
O5 C14 C19 C18 174.0(8) . . . . ?
O5 C14 C19 C20 -7.9(14) . . . . ?
O6 C21 C22 C23 165.3(8) . . . . ?
O6 C21 C22 N8 -13.5(11) . . . . ?
O6 C21 N7 N6 3.8(12) . . . . ?
O7 C27 N11 C29 -178.9(10) . . . . ?
O7 C27 N11 C30 -1.0(14) . . . . ?
O8 C31 N12 C33 177.6(13) . . . . ?
O8 C31 N12 C34 -5(2) . . . . ?
O9 C35 N13 C37 -177.6(12) . . . . ?
O9 C35 N13 C38 5.8(18) . . . . ?
F1 C39 S1 O10 60.0(10) . . . . ?
F1 C39 S1 O11 -59.0(10) . . . . ?
F1 C39 S1 O12 -179.0(9) . . . . ?
F2 C39 S1 O10 179.7(9) . . . . ?
F2 C39 S1 O11 60.6(10) . . . . ?
F2 C39 S1 O12 -59.4(10) . . . . ?
F3 C39 S1 O10 -61.4(10) . . . . ?
F3 C39 S1 O11 179.6(9) . . . . ?
F3 C39 S1 O12 59.6(10) . . . . ?
F4 C40 S2 O13 60.0(10) . . . . ?
F4 C40 S2 O14 -60.1(10) . . . . ?
F4 C40 S2 O15 179.8(9) . . . . ?
F5 C40 S2 O13 -58.9(10) . . . . ?
F5 C40 S2 O14 -179.0(8) . . . . ?
F5 C40 S2 O15 60.9(10) . . . . ?
F6 C40 S2 O13 -176.7(9) . . . . ?
F6 C40 S2 O14 63.2(10) . . . . ?
F6 C40 S2 O15 -56.9(10) . . . . ?
C42 C41 N14 C43 7(2) . . . . ?
C42 C41 N14 C44 -178.3(12) . . . . ?
O17 C41 N14 C43 -173.8(14) . . . . ?
O17 C41 N14 C44 1(2) . . . . ?
C46 C45 N15 C47 -0.7(17) . . . . ?
C46 C45 N15 C48 177.8(12) . . . . ?
O16 C45 N15 C47 -178.8(11) . . . . ?
O16 C45 N15 C48 -0.3(17) . . . . ?
C50 C49 N16 C51 -6.1(18) . . . . ?
C50 C49 N16 C52 178.1(10) . . . . ?
O23 C49 N16 C51 173.8(11) . . . . ?
O23 C49 N16 C52 -2.0(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.105
_oxdiff_exptl_absorpt_empirical_full_min 0.626
_exptl_crystal_preparation       'Magnetic properties'
