# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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 2222613'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-03-06 deposited with the CCDC.	2023-05-15 downloaded from the CCDC.
;
_audit_creation_date             2023-02-16
_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         
'C102 H120 Cu6 Dy3 N6 O24, Cl O4, 8.5(C H4 O), 4.75(H2 O), 2(N O3)'
_chemical_formula_sum            'C110.50 H163.50 Cl Cu6 Dy3 N8 O47.25'
_chemical_formula_weight         3264.17
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOC
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   17.5288(2)
_cell_length_b                   22.4741(2)
_cell_length_c                   35.9503(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14162.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    66120
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      30.2760
_cell_measurement_theta_min      1.5610
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.543
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84396
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6598
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            113375
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.029
_diffrn_reflns_theta_min         1.473
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_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   -101.00  77.00   0.50    8.00    --  -11.60  45.00 120.00  356
  2  ω    -83.00  50.00   0.50    8.00    --  -11.60  45.00  60.00  266
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0027442000
_diffrn_orient_matrix_UB_12      -0.0269937000
_diffrn_orient_matrix_UB_13      -0.0101354000
_diffrn_orient_matrix_UB_21      -0.0027749000
_diffrn_orient_matrix_UB_22      -0.0161021000
_diffrn_orient_matrix_UB_23      0.0169220000
_diffrn_orient_matrix_UB_31      -0.0402719000
_diffrn_orient_matrix_UB_32      0.0028395000
_diffrn_orient_matrix_UB_33      -0.0005068000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.858
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                26474
_reflns_number_total             27906
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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         1.402
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.118
_refine_ls_abs_structure_details 
;
 Flack x determined using 11665 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.019(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1642
_refine_ls_number_reflns         27906
_refine_ls_number_restraints     85
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0324
_refine_ls_restrained_S_all      1.075
_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)+(0.0560P)²+17.0024P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0905
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H11 of O11, H12 of O12, H13 of O13, H15 of O15, H14 of O14,
   H16 of O16, {H13C,H13D} of O13W, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, {H4WA,H4WB} of O4W, {H5WA,H5WB} of O5W, {H1WA,H1WB} of
  O1W, {H6WA,H6WB} of O6W, {H3WA,H3WB} of O3W, {H2WA,H2WB} of O2W, {H15C,H15D}
  of O15W, {H7WA,H7WB} of O7W, H38 of O38, H27 of O27, H32 of O32, H31 of O31,
  H34A of O34, H35 of O35, {H8WA,H8WB} of O8W, {H10W,H10X} of O10W, {H11N,H11O}
  of O11W, H39A of O39, H33 of O33, H28A of O28, {H16C,H16D} of O16W, {H9WA,
  H9WB} of O9W, H37 of O37
2. Restrained distances
 C118-O39 = C112-O38 = C110-O28 = C109-O35 = C107-O32 = C104-O31 = C105-O34
 1.42 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C109) \\sim Ueq, Uanis(O16W) \\sim Ueq, Uanis(O10W) \\sim Ueq, Uanis(O39)
\\sim Ueq, Uanis(O7W) \\sim Ueq, Uanis(O11W) \\sim Ueq, Uanis(C112) \\sim Ueq,
Uanis(O37) \\sim Ueq, Uanis(O38) \\sim Ueq, Uanis(C111) \\sim Ueq: with sigma
of 0.002 and sigma for terminal atoms of 0.004
Uanis(O9W) \\sim Ueq, Uanis(O15W) \\sim Ueq, Uanis(O13W) \\sim Ueq: with sigma
of 0.001 and sigma for terminal atoms of 0.002
Uanis(N7) = Uanis(N8)
4. Others
 Fixed Sof: O38(0.5) H38(0.5) C112(0.5) H11B(0.5) H11C(0.5) H11D(0.5) O7W(0.5)
 H7WA(0.5) H7WB(0.5) O15W(0.5) H15C(0.5) H15D(0.5) O9W(0.5) H9WA(0.5) H9WB(0.5)
 O13W(0.25) H13C(0.25) H13D(0.25) O10W(0.5) H10W(0.5) H10X(0.5) O37(0.5)
 H37(0.5) C111(0.5) H11H(0.5) H11I(0.5) H11J(0.5) O16W(0.5) H16C(0.5) H16D(0.5)
 O39(0.5) H39A(0.5) C118(0.5) H11K(0.5) H11L(0.5) H11M(0.5)
5.a Riding coordinates:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB), O5W(H5WA,
 H5WB), O6W(H6WA,H6WB), O11(H11), O12(H12), O13(H13), O14(H14), O15(H15),
 O16(H16), O38(H38), O32(H32), O27(H27), O7W(H7WA,H7WB), O35(H35), O8W(H8WA,
 H8WB), O15W(H15C,H15D), O31(H31), O34(H34A), O9W(H9WA,H9WB), O13W(H13C,H13D),
 O28(H28A), O10W(H10W,H10X), O33(H33), C106(H10T,H10U,H10V), O11W(H11N,H11O),
 O37(H37), O16W(H16C,H16D), O39(H39A)
5.b Ternary CH refined with riding coordinates:
 C12(H12A), C17(H17), C34(H34), C46(H46), C51(H51), C63(H63), C68(H68),
 C80(H80), C85(H85), C97(H97), C102(H102), C108(H108)
5.c Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C30(H30A,
 H30B), C31(H31A,H31B), C32(H32A,H32B), C33(H33A,H33B), C47(H47A,H47B),
 C48(H48A,H48B), C49(H49A,H49B), C50(H50A,H50B), C64(H64A,H64B), C65(H65A,H65B),
  C66(H66A,H66B), C67(H67A,H67B), C81(H81A,H81B), C82(H82A,H82B), C83(H83A,
 H83B), C84(H84A,H84B), C98(H98A,H98B), C99(H99A,H99B), C100(H10A,H10B),
 C101(H10C,H10D)
5.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C7(H7), C8(H8), C11(H11A), C19(H19), C20(H20),
  C22(H22), C23(H23), C24(H24), C25(H25), C28(H28), C29(H29), C36(H36),
 C39(H39), C40(H40), C41(H41), C42(H42), C45(H45), C53(H53), C54(H54), C56(H56),
  C57(H57), C58(H58), C59(H59), C62(H62), C70(H70), C71(H71), C73(H73),
 C74(H74), C75(H75), C76(H76), C79(H79), C87(H87), C88(H88), C90(H90), C91(H91),
  C92(H92), C93(H93), C96(H96)
5.e Idealised Me refined as rotating group:
 C112(H11B,H11C,H11D), C107(H10E,H10F,H10G), C103(H10H,H10I,H10J), C109(H10K,
 H10L,H10M), C104(H10N,H10O,H10P), C105(H10Q,H10R,H10S), C110(H11E,H11F,H11G),
 C111(H11H,H11I,H11J), C118(H11K,H11L,H11M)
;
_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
Dy1 Dy 1.34563(2) 1.92921(2) 0.34475(2) 0.02261(7) Uani 1 1 d . . . . .
Dy2 Dy 1.13067(2) 1.90431(2) 0.36046(2) 0.02325(7) Uani 1 1 d . . . . .
Dy3 Dy 1.23756(2) 2.02283(2) 0.41735(2) 0.02247(7) Uani 1 1 d . . . . .
Cu1 Cu 1.39270(5) 2.07317(4) 0.36088(2) 0.02553(17) Uani 1 1 d . . . . .
Cu2 Cu 1.42324(5) 1.98984(3) 0.42988(2) 0.02440(17) Uani 1 1 d . . . . .
Cu3 Cu 1.20506(5) 1.88349(4) 0.27548(2) 0.02802(19) Uani 1 1 d . . . . .
Cu4 Cu 1.26808(5) 1.79164(4) 0.33460(2) 0.02706(18) Uani 1 1 d . . . . .
Cu5 Cu 1.05261(5) 2.04312(4) 0.39435(2) 0.02744(19) Uani 1 1 d . . . . .
Cu6 Cu 1.07973(5) 1.93650(4) 0.44841(2) 0.02478(17) Uani 1 1 d . . . . .
O1 O 1.3389(3) 2.1461(2) 0.35671(15) 0.0321(11) Uani 1 1 d . . . . .
O1W O 1.3742(3) 1.9701(2) 0.28625(13) 0.0319(11) Uani 1 1 d . . . . .
H1WA H 1.355741 1.947907 0.269037 0.048 Uiso 1 1 d R U . . .
H1WB H 1.350721 2.003307 0.283527 0.048 Uiso 1 1 d R U . . .
O2 O 1.4457(3) 1.9974(2) 0.35848(14) 0.0263(10) Uani 1 1 d . . . . .
O2W O 1.4388(3) 1.8648(2) 0.36939(14) 0.0298(11) Uani 1 1 d . . . . .
H2WA H 1.418390 1.831299 0.374443 0.045 Uiso 1 1 d R U . . .
H2WB H 1.453940 1.878039 0.390373 0.045 Uiso 1 1 d R U . . .
O3 O 1.4842(3) 1.9204(2) 0.43062(14) 0.0295(11) Uani 1 1 d . . . . .
O3W O 1.0431(3) 1.9442(2) 0.31726(14) 0.0343(12) Uani 1 1 d . . . . .
H3WA H 1.062991 1.944377 0.295733 0.051 Uiso 1 1 d R U . . .
H3WB H 1.035281 1.980557 0.322153 0.051 Uiso 1 1 d R U . . .
O4 O 1.3589(3) 2.0609(2) 0.43056(13) 0.0255(10) Uani 1 1 d . . . . .
O4W O 1.0991(3) 1.8133(2) 0.38899(15) 0.0336(12) Uani 1 1 d . . . . .
H4WA H 1.106814 1.815919 0.412465 0.050 Uiso 1 1 d R U . . .
H4WB H 1.130244 1.786399 0.381755 0.050 Uiso 1 1 d R U . . .
O5 O 1.2064(3) 1.7392(2) 0.36326(15) 0.0337(11) Uani 1 1 d . . . . .
O5W O 1.2200(3) 2.1228(2) 0.40043(16) 0.0366(13) Uani 1 1 d . . . . .
H5WA H 1.259654 2.135359 0.388952 0.055 Uiso 1 1 d R U . . .
H5WB H 1.184134 2.125279 0.384222 0.055 Uiso 1 1 d R U . . .
O6 O 1.3352(3) 1.8440(2) 0.30663(14) 0.0291(11) Uani 1 1 d . . . . .
O6W O 1.2529(3) 1.9982(2) 0.48107(14) 0.0316(11) Uani 1 1 d . . . . .
H6WA H 1.298252 1.984825 0.484848 0.047 Uiso 1 1 d R U . . .
H6WB H 1.223822 1.968865 0.486698 0.047 Uiso 1 1 d R U . . .
O7 O 1.2657(3) 1.9278(3) 0.24175(13) 0.0382(12) Uani 1 1 d . . . . .
O8 O 1.1412(3) 1.8392(2) 0.30965(13) 0.0294(11) Uani 1 1 d . . . . .
O9 O 1.1309(3) 1.9280(2) 0.49475(13) 0.0296(10) Uani 1 1 d . . . . .
O10 O 1.0287(3) 1.9318(2) 0.40031(13) 0.0278(10) Uani 1 1 d . . . . .
O11 O 1.2994(3) 2.0275(2) 0.35853(13) 0.0231(9) Uani 1 1 d . . . . .
H11 H 1.265370 2.043169 0.342037 0.028 Uiso 1 1 d R U . . .
O12 O 1.3352(3) 1.94837(19) 0.40928(12) 0.0221(9) Uani 1 1 d . . . . .
H12 H 1.327734 1.912322 0.420229 0.027 Uiso 1 1 d R U . . .
O13 O 1.2234(3) 1.9383(2) 0.31676(13) 0.0247(10) Uani 1 1 d . . . . .
H13 H 1.220725 1.976816 0.309217 0.030 Uiso 1 1 d R U . . .
O14 O 1.2530(3) 1.8593(2) 0.36792(12) 0.0236(10) Uani 1 1 d . . . . .
H14 H 1.257350 1.848371 0.392213 0.028 Uiso 1 1 d R U . . .
O15 O 1.1416(3) 2.0088(2) 0.36998(13) 0.0266(10) Uani 1 1 d . . . . .
H15 H 1.150001 2.025318 0.347176 0.032 Uiso 1 1 d R U . . .
O16 O 1.1753(2) 1.9296(2) 0.42142(12) 0.0222(9) Uani 1 1 d . . . . .
H16 H 1.208634 1.903535 0.432068 0.027 Uiso 1 1 d R U . . .
O29 O 0.9948(3) 2.0450(2) 0.34964(15) 0.0361(12) Uani 1 1 d . . . . .
O30 O 1.1141(3) 2.0455(2) 0.43980(13) 0.0283(10) Uani 1 1 d . . . . .
N1 N 1.4905(3) 2.1100(2) 0.36029(16) 0.0261(12) Uani 1 1 d . . . . .
N2 N 1.4968(3) 2.0350(2) 0.45728(16) 0.0256(12) Uani 1 1 d . . . . .
N3 N 1.1643(4) 1.8338(3) 0.23734(17) 0.0342(14) Uani 1 1 d . . . . .
N4 N 1.3032(4) 1.7289(3) 0.30239(17) 0.0300(13) Uani 1 1 d . . . . .
N5 N 0.9792(3) 2.0894(3) 0.42090(17) 0.0289(13) Uani 1 1 d . . . . .
N6 N 0.9800(3) 1.9383(3) 0.46995(16) 0.0261(12) Uani 1 1 d . . . . .
C1 C 1.3686(5) 2.1997(3) 0.3567(2) 0.0327(16) Uani 1 1 d . . . . .
C2 C 1.3158(5) 2.2475(4) 0.3545(3) 0.051(2) Uani 1 1 d . . . . .
H2 H 1.262875 2.238846 0.352519 0.061 Uiso 1 1 calc R U . . .
C3 C 1.3386(5) 2.3048(4) 0.3553(3) 0.054(3) Uani 1 1 d . . . . .
H3 H 1.301556 2.335515 0.353536 0.065 Uiso 1 1 calc R U . . .
C4 C 1.4167(5) 2.3200(4) 0.3585(3) 0.0425(19) Uani 1 1 d . . . . .
C5 C 1.4396(6) 2.3801(4) 0.3603(3) 0.054(2) Uani 1 1 d . . . . .
H5 H 1.402002 2.410425 0.358793 0.064 Uiso 1 1 calc R U . . .
C6 C 1.5141(6) 2.3955(4) 0.3641(3) 0.057(3) Uani 1 1 d . . . . .
H6 H 1.529209 2.436056 0.364322 0.069 Uiso 1 1 calc R U . . .
C7 C 1.5672(6) 2.3504(4) 0.3678(3) 0.050(2) Uani 1 1 d . . . . .
H7 H 1.619464 2.360504 0.370933 0.060 Uiso 1 1 calc R U . . .
C8 C 1.5467(5) 2.2920(4) 0.3670(2) 0.0396(18) Uani 1 1 d . . . . .
H8 H 1.584839 2.262388 0.370013 0.047 Uiso 1 1 calc R U . . .
C9 C 1.4705(5) 2.2745(3) 0.3617(2) 0.0315(16) Uani 1 1 d . . . . .
C10 C 1.4461(4) 2.2124(3) 0.3599(2) 0.0267(14) Uani 1 1 d . . . . .
C11 C 1.5035(4) 2.1661(3) 0.35981(19) 0.0272(14) Uani 1 1 d . . . . .
H11A H 1.555330 2.178354 0.359362 0.033 Uiso 1 1 calc R U . . .
C12 C 1.5519(4) 2.0654(3) 0.3609(2) 0.0286(14) Uani 1 1 d . . . . .
H12A H 1.561283 2.055339 0.387644 0.034 Uiso 1 1 calc R U . . .
C13 C 1.6282(4) 2.0818(3) 0.3444(3) 0.0386(17) Uani 1 1 d . . . . .
H13A H 1.649888 2.116268 0.357853 0.046 Uiso 1 1 calc R U . . .
H13B H 1.621563 2.093213 0.317949 0.046 Uiso 1 1 calc R U . . .
C14 C 1.6822(5) 2.0291(4) 0.3471(3) 0.051(2) Uani 1 1 d . . . . .
H14A H 1.731318 2.039589 0.335178 0.061 Uiso 1 1 calc R U . . .
H14B H 1.692443 2.020513 0.373664 0.061 Uiso 1 1 calc R U . . .
C15 C 1.6505(5) 1.9749(4) 0.3290(3) 0.046(2) Uani 1 1 d . . . . .
H15A H 1.687077 1.941663 0.331854 0.056 Uiso 1 1 calc R U . . .
H15B H 1.643742 1.982527 0.302088 0.056 Uiso 1 1 calc R U . . .
C16 C 1.5740(4) 1.9574(3) 0.3460(3) 0.0381(18) Uani 1 1 d . . . . .
H16A H 1.553109 1.922257 0.332901 0.046 Uiso 1 1 calc R U . . .
H16B H 1.581003 1.946774 0.372565 0.046 Uiso 1 1 calc R U . . .
C17 C 1.5191(4) 2.0094(3) 0.3426(2) 0.0279(15) Uani 1 1 d . . . . .
H17 H 1.511817 2.018021 0.315584 0.033 Uiso 1 1 calc R U . . .
C18 C 1.5432(4) 1.9099(3) 0.4522(2) 0.0297(15) Uani 1 1 d . . . . .
C19 C 1.5728(5) 1.8506(3) 0.4520(3) 0.0387(18) Uani 1 1 d . . . . .
H19 H 1.549172 1.821587 0.436628 0.046 Uiso 1 1 calc R U . . .
C20 C 1.6325(5) 1.8350(4) 0.4726(3) 0.044(2) Uani 1 1 d . . . . .
H20 H 1.652671 1.795896 0.470229 0.053 Uiso 1 1 calc R U . . .
C21 C 1.6671(4) 1.8756(4) 0.4982(2) 0.0362(17) Uani 1 1 d . . . . .
C22 C 1.7260(5) 1.8581(4) 0.5217(3) 0.048(2) Uani 1 1 d . . . . .
H22 H 1.743499 1.818142 0.520575 0.057 Uiso 1 1 calc R U . . .
C23 C 1.7592(5) 1.8961(5) 0.5460(3) 0.049(2) Uani 1 1 d . . . . .
H23 H 1.799835 1.883314 0.561544 0.059 Uiso 1 1 calc R U . . .
C24 C 1.7323(5) 1.9542(5) 0.5477(3) 0.050(2) Uani 1 1 d . . . . .
H24 H 1.754837 1.981450 0.564674 0.060 Uiso 1 1 calc R U . . .
C25 C 1.6749(5) 1.9722(4) 0.5257(2) 0.043(2) Uani 1 1 d . . . . .
H25 H 1.657547 2.012111 0.527740 0.052 Uiso 1 1 calc R U . . .
C26 C 1.6393(4) 1.9344(4) 0.4996(2) 0.0336(16) Uani 1 1 d . . . . .
C27 C 1.5771(4) 1.9519(3) 0.4754(2) 0.0308(15) Uani 1 1 d . . . . .
C28 C 1.5524(4) 2.0135(3) 0.4757(2) 0.0299(15) Uani 1 1 d . . . . .
H28 H 1.580338 2.040318 0.490934 0.036 Uiso 1 1 calc R U . . .
C29 C 1.2560(5) 1.9423(4) 0.0871(2) 0.047(2) Uani 1 1 d . . . . .
H29 H 1.290440 1.968778 0.075190 0.057 Uiso 1 1 calc R U . . .
C30 C 1.5096(6) 2.1351(4) 0.4890(3) 0.044(2) Uani 1 1 d . . . . .
H30A H 1.565980 2.134333 0.487140 0.053 Uiso 1 1 calc R U . . .
H30B H 1.494879 2.118654 0.513502 0.053 Uiso 1 1 calc R U . . .
C31 C 1.4810(6) 2.1988(4) 0.4855(3) 0.052(2) Uani 1 1 d . . . . .
H31A H 1.501337 2.222795 0.506343 0.062 Uiso 1 1 calc R U . . .
H31B H 1.500430 2.216244 0.461999 0.062 Uiso 1 1 calc R U . . .
C32 C 1.3948(6) 2.2020(4) 0.4857(3) 0.046(2) Uani 1 1 d . . . . .
H32A H 1.378494 2.243643 0.481629 0.055 Uiso 1 1 calc R U . . .
H32B H 1.375569 2.189151 0.510316 0.055 Uiso 1 1 calc R U . . .
C33 C 1.3606(5) 2.1625(3) 0.4556(2) 0.0354(17) Uani 1 1 d . . . . .
H33A H 1.304273 2.163201 0.457560 0.042 Uiso 1 1 calc R U . . .
H33B H 1.374811 2.178230 0.430810 0.042 Uiso 1 1 calc R U . . .
C34 C 1.3888(4) 2.0992(3) 0.45933(19) 0.0262(14) Uani 1 1 d . . . . .
H34 H 1.371746 2.083386 0.483979 0.031 Uiso 1 1 calc R U . . .
C35 C 1.2608(5) 1.9272(4) 0.2051(2) 0.0373(17) Uani 1 1 d . . . . .
C36 C 1.3090(5) 1.9670(4) 0.1856(2) 0.047(2) Uani 1 1 d . . . . .
H36 H 1.343143 1.991302 0.199408 0.056 Uiso 1 1 calc R U . . .
C38 C 1.2567(5) 1.9369(4) 0.1269(2) 0.0417(19) Uani 1 1 d . . . . .
C39 C 1.3085(5) 1.9719(4) 0.1482(2) 0.045(2) Uani 1 1 d . . . . .
H39 H 1.342452 1.998496 0.136105 0.054 Uiso 1 1 calc R U . . .
C40 C 1.2077(6) 1.9106(5) 0.0670(2) 0.062(3) Uani 1 1 d . . . . .
H40 H 1.208596 1.913699 0.040635 0.074 Uiso 1 1 calc R U . . .
C41 C 1.1549(6) 1.8723(5) 0.0844(2) 0.058(3) Uani 1 1 d . . . . .
H41 H 1.118742 1.851161 0.069785 0.069 Uiso 1 1 calc R U . . .
C42 C 1.1556(6) 1.8656(4) 0.1220(2) 0.047(2) Uani 1 1 d . . . . .
H42 H 1.120190 1.839245 0.133338 0.056 Uiso 1 1 calc R U . . .
C43 C 1.2079(5) 1.8969(4) 0.14452(19) 0.0353(17) Uani 1 1 d . . . . .
C44 C 1.2117(5) 1.8901(4) 0.1847(2) 0.0351(17) Uani 1 1 d . . . . .
C45 C 1.1681(5) 1.8438(4) 0.2022(2) 0.0364(18) Uani 1 1 d . . . . .
H45 H 1.139456 1.818274 0.186421 0.044 Uiso 1 1 calc R U . . .
C46 C 1.1186(5) 1.7851(3) 0.2530(2) 0.0346(16) Uani 1 1 d . . . . .
H46 H 1.154567 1.752889 0.260757 0.041 Uiso 1 1 calc R U . . .
C47 C 1.0578(6) 1.7569(4) 0.2283(2) 0.047(2) Uani 1 1 d . . . . .
H47A H 1.022231 1.787966 0.219418 0.057 Uiso 1 1 calc R U . . .
H47B H 1.082390 1.738478 0.206362 0.057 Uiso 1 1 calc R U . . .
C48 C 1.0146(6) 1.7107(5) 0.2493(3) 0.055(3) Uani 1 1 d . . . . .
H48A H 0.972750 1.695459 0.233473 0.066 Uiso 1 1 calc R U . . .
H48B H 1.049063 1.677005 0.254973 0.066 Uiso 1 1 calc R U . . .
C49 C 0.9817(6) 1.7335(5) 0.2848(3) 0.053(2) Uani 1 1 d . . . . .
H49A H 0.957430 1.700260 0.298399 0.063 Uiso 1 1 calc R U . . .
H49B H 0.941621 1.763220 0.279045 0.063 Uiso 1 1 calc R U . . .
C50 C 1.0419(5) 1.7620(4) 0.3093(2) 0.0393(18) Uani 1 1 d . . . . .
H50A H 1.017433 1.779005 0.331766 0.047 Uiso 1 1 calc R U . . .
H50B H 1.079033 1.731518 0.317413 0.047 Uiso 1 1 calc R U . . .
C51 C 1.0826(4) 1.8105(3) 0.2883(2) 0.0303(15) Uani 1 1 d . . . . .
H51 H 1.044256 1.841204 0.280832 0.036 Uiso 1 1 calc R U . . .
C52 C 1.1979(5) 1.6810(3) 0.3586(2) 0.0328(16) Uani 1 1 d . . . . .
C53 C 1.1445(6) 1.6535(4) 0.3835(3) 0.045(2) Uani 1 1 d . . . . .
H53 H 1.116768 1.677219 0.400717 0.054 Uiso 1 1 calc R U . . .
C54 C 1.1335(6) 1.5951(4) 0.3827(3) 0.048(2) Uani 1 1 d . . . . .
H54 H 1.098535 1.577654 0.399656 0.057 Uiso 1 1 calc R U . . .
C55 C 1.1724(5) 1.5579(4) 0.3571(3) 0.046(2) Uani 1 1 d . . . . .
C56 C 1.1611(7) 1.4951(4) 0.3573(3) 0.063(3) Uani 1 1 d . . . . .
H56 H 1.126341 1.478198 0.374587 0.076 Uiso 1 1 calc R U . . .
C57 C 1.1991(7) 1.4589(4) 0.3333(4) 0.066(3) Uani 1 1 d . . . . .
H57 H 1.192154 1.417020 0.334238 0.079 Uiso 1 1 calc R U . . .
C58 C 1.2477(6) 1.4840(4) 0.3076(3) 0.056(3) Uani 1 1 d . . . . .
H58 H 1.273367 1.458979 0.290342 0.067 Uiso 1 1 calc R U . . .
C59 C 1.2601(5) 1.5443(4) 0.3062(3) 0.047(2) Uani 1 1 d . . . . .
H59 H 1.293686 1.560085 0.288017 0.056 Uiso 1 1 calc R U . . .
C60 C 1.2238(5) 1.5831(3) 0.3314(2) 0.0376(18) Uani 1 1 d . . . . .
C61 C 1.2364(4) 1.6475(3) 0.3322(2) 0.0320(16) Uani 1 1 d . . . . .
C62 C 1.2877(5) 1.6733(3) 0.3061(2) 0.0329(16) Uani 1 1 d . . . . .
H62 H 1.313118 1.646635 0.289748 0.039 Uiso 1 1 calc R U . . .
C63 C 1.3548(4) 1.7528(3) 0.2738(2) 0.0301(15) Uani 1 1 d . . . . .
H63 H 1.322858 1.766294 0.252317 0.036 Uiso 1 1 calc R U . . .
C64 C 1.4140(5) 1.7091(4) 0.2589(2) 0.0413(19) Uani 1 1 d . . . . .
H64A H 1.387977 1.674994 0.246902 0.050 Uiso 1 1 calc R U . . .
H64B H 1.445237 1.693593 0.279717 0.050 Uiso 1 1 calc R U . . .
C65 C 1.4655(6) 1.7408(4) 0.2305(2) 0.046(2) Uani 1 1 d . . . . .
H65A H 1.507021 1.713519 0.222955 0.056 Uiso 1 1 calc R U . . .
H65B H 1.435154 1.750396 0.208072 0.056 Uiso 1 1 calc R U . . .
C66 C 1.5000(6) 1.7975(5) 0.2457(3) 0.051(2) Uani 1 1 d . . . . .
H66A H 1.527891 1.818122 0.225560 0.062 Uiso 1 1 calc R U . . .
H66B H 1.537313 1.787242 0.265405 0.062 Uiso 1 1 calc R U . . .
C67 C 1.4406(6) 1.8392(4) 0.2617(3) 0.045(2) Uani 1 1 d . . . . .
H67A H 1.407414 1.854102 0.241463 0.054 Uiso 1 1 calc R U . . .
H67B H 1.466111 1.873737 0.273376 0.054 Uiso 1 1 calc R U . . .
C68 C 1.3923(5) 1.8072(3) 0.2905(2) 0.0337(17) Uani 1 1 d . . . . .
H68 H 1.426962 1.793474 0.310881 0.040 Uiso 1 1 calc R U . . .
C69 C 0.9356(4) 2.0784(3) 0.3427(2) 0.0323(16) Uani 1 1 d . . . . .
C70 C 0.9059(5) 2.0748(5) 0.3051(2) 0.047(2) Uani 1 1 d . . . . .
H70 H 0.928339 2.047916 0.287907 0.057 Uiso 1 1 calc R U . . .
C71 C 0.8475(5) 2.1088(5) 0.2943(2) 0.047(2) Uani 1 1 d . . . . .
H71 H 0.828106 2.104489 0.269797 0.057 Uiso 1 1 calc R U . . .
C72 C 0.8133(5) 2.1514(4) 0.3184(3) 0.041(2) Uani 1 1 d . . . . .
C73 C 0.7566(5) 2.1905(5) 0.3054(3) 0.054(3) Uani 1 1 d . . . . .
H73 H 0.740170 2.187653 0.280266 0.065 Uiso 1 1 calc R U . . .
C74 C 0.7251(5) 2.2321(4) 0.3278(3) 0.053(2) Uani 1 1 d . . . . .
H74 H 0.686598 2.257984 0.318591 0.063 Uiso 1 1 calc R U . . .
C75 C 0.7497(5) 2.2363(4) 0.3644(3) 0.054(2) Uani 1 1 d . . . . .
H75 H 0.727467 2.265091 0.380394 0.065 Uiso 1 1 calc R U . . .
C76 C 0.8061(5) 2.1992(4) 0.3778(3) 0.050(2) Uani 1 1 d . . . . .
H76 H 0.822696 2.203375 0.402811 0.059 Uiso 1 1 calc R U . . .
C77 C 0.8399(5) 2.1550(3) 0.3550(2) 0.0383(18) Uani 1 1 d . . . . .
C78 C 0.9004(4) 2.1177(4) 0.3679(2) 0.0335(17) Uani 1 1 d . . . . .
C79 C 0.9237(4) 2.1187(3) 0.4064(2) 0.0316(16) Uani 1 1 d . . . . .
H79 H 0.895150 2.143597 0.422610 0.038 Uiso 1 1 calc R U . . .
C80 C 0.9985(4) 2.0921(3) 0.4604(2) 0.0302(15) Uani 1 1 d . . . . .
H80 H 0.980806 2.053962 0.471803 0.036 Uiso 1 1 calc R U . . .
C81 C 0.9647(5) 2.1418(4) 0.4833(2) 0.0394(18) Uani 1 1 d . . . . .
H81A H 0.980317 2.180643 0.472801 0.047 Uiso 1 1 calc R U . . .
H81B H 0.908335 2.139441 0.482467 0.047 Uiso 1 1 calc R U . . .
C82 C 0.9913(6) 2.1373(4) 0.5230(3) 0.048(2) Uani 1 1 d . . . . .
H82A H 0.970527 2.100473 0.534177 0.057 Uiso 1 1 calc R U . . .
H82B H 0.971020 2.171505 0.537239 0.057 Uiso 1 1 calc R U . . .
C83 C 1.0782(5) 2.1366(4) 0.5263(3) 0.048(2) Uani 1 1 d . . . . .
H83A H 1.092825 2.130299 0.552564 0.057 Uiso 1 1 calc R U . . .
H83B H 1.098891 2.175490 0.518213 0.057 Uiso 1 1 calc R U . . .
C84 C 1.1124(5) 2.0871(4) 0.5022(2) 0.0403(19) Uani 1 1 d . . . . .
H84A H 1.168791 2.089549 0.503161 0.048 Uiso 1 1 calc R U . . .
H84B H 1.097085 2.047912 0.512396 0.048 Uiso 1 1 calc R U . . .
C85 C 1.0861(4) 2.0919(3) 0.4622(2) 0.0312(15) Uani 1 1 d . . . . .
H85 H 1.105068 2.130509 0.451861 0.037 Uiso 1 1 calc R U . . .
C86 C 1.0984(4) 1.9239(3) 0.5273(2) 0.0300(15) Uani 1 1 d . . . . .
C87 C 1.1454(5) 1.9057(4) 0.5573(2) 0.0372(17) Uani 1 1 d . . . . .
H87 H 1.197137 1.895986 0.552406 0.045 Uiso 1 1 calc R U . . .
C88 C 1.1193(5) 1.9017(4) 0.5925(2) 0.0377(17) Uani 1 1 d . . . . .
H88 H 1.151929 1.887182 0.611547 0.045 Uiso 1 1 calc R U . . .
C89 C 1.0434(5) 1.9189(3) 0.6012(2) 0.0336(17) Uani 1 1 d . . . . .
C90 C 1.0170(5) 1.9188(4) 0.6386(2) 0.045(2) Uani 1 1 d . . . . .
H90 H 1.049964 1.905623 0.657875 0.054 Uiso 1 1 calc R U . . .
C91 C 0.9453(5) 1.9373(4) 0.6471(2) 0.046(2) Uani 1 1 d . . . . .
H91 H 0.927622 1.936080 0.672044 0.055 Uiso 1 1 calc R U . . .
C92 C 0.8979(5) 1.9582(4) 0.6186(2) 0.044(2) Uani 1 1 d . . . . .
H92 H 0.848259 1.972330 0.624467 0.052 Uiso 1 1 calc R U . . .
C93 C 0.9225(5) 1.9585(4) 0.5823(2) 0.0363(17) Uani 1 1 d . . . . .
H93 H 0.889817 1.973741 0.563480 0.044 Uiso 1 1 calc R U . . .
C94 C 0.9939(4) 1.9370(3) 0.57259(19) 0.0298(15) Uani 1 1 d . . . . .
C95 C 1.0207(4) 1.9344(3) 0.53443(19) 0.0284(15) Uani 1 1 d . . . . .
C96 C 0.9645(4) 1.9381(3) 0.5048(2) 0.0284(15) Uani 1 1 d . . . . .
H96 H 0.912276 1.940375 0.511800 0.034 Uiso 1 1 calc R U . . .
C97 C 0.9204(4) 1.9384(4) 0.44055(19) 0.0301(15) Uani 1 1 d . . . . .
H97 H 0.911259 1.980649 0.433049 0.036 Uiso 1 1 calc R U . . .
C98 C 0.8437(5) 1.9113(5) 0.4511(2) 0.045(2) Uani 1 1 d . . . . .
H98A H 0.820273 1.934413 0.471553 0.054 Uiso 1 1 calc R U . . .
H98B H 0.850982 1.869846 0.459745 0.054 Uiso 1 1 calc R U . . .
C99 C 0.7912(5) 1.9121(6) 0.4169(2) 0.057(3) Uani 1 1 d . . . . .
H99A H 0.742433 1.892320 0.423281 0.068 Uiso 1 1 calc R U . . .
H99B H 0.779797 1.953842 0.410194 0.068 Uiso 1 1 calc R U . . .
C100 C 0.8264(5) 1.8812(5) 0.3841(3) 0.057(3) Uani 1 1 d . . . . .
H10A H 0.791674 1.884438 0.362457 0.068 Uiso 1 1 calc R U . . .
H10B H 0.833015 1.838438 0.389873 0.068 Uiso 1 1 calc R U . . .
C101 C 0.9037(4) 1.9082(5) 0.3741(2) 0.045(2) Uani 1 1 d . . . . .
H10C H 0.926799 1.885687 0.353294 0.054 Uiso 1 1 calc R U . . .
H10D H 0.896744 1.949964 0.365977 0.054 Uiso 1 1 calc R U . . .
C102 C 0.9558(4) 1.9062(4) 0.40746(19) 0.0313(15) Uani 1 1 d . . . . .
H102 H 0.963504 1.863585 0.414515 0.038 Uiso 1 1 calc R U . . .
C108 C 1.4751(4) 2.0980(3) 0.4582(2) 0.0278(14) Uani 1 1 d . . . . .
H108 H 1.491216 2.116112 0.434050 0.033 Uiso 1 1 calc R U . . .
Cl1 Cl 2.0719(3) 1.3454(3) 0.39960(18) 0.1312(19) Uani 1 1 d . . . . .
O23 O 2.0229(14) 1.2954(11) 0.4108(6) 0.245(11) Uani 1 1 d . . . . .
O24 O 2.1466(7) 1.3251(7) 0.3909(5) 0.160(7) Uani 1 1 d . . . . .
O25 O 2.0372(11) 1.3658(11) 0.3662(6) 0.223(11) Uani 1 1 d . . . . .
O26 O 2.0712(14) 1.3979(7) 0.4242(5) 0.215(11) Uani 1 1 d . . . . .
O38 O 2.1187(15) 1.1717(12) 0.1044(8) 0.135(9) Uani 0.5 1 d D U P . .
H38 H 2.132954 1.171653 0.126159 0.203 Uiso 0.5 1 d R U P . .
C112 C 2.0514(16) 1.2064(14) 0.1059(9) 0.097(9) Uani 0.5 1 d D U P . .
H11B H 2.042583 1.225087 0.081663 0.145 Uiso 0.5 1 calc R U P . .
H11C H 2.056973 1.237338 0.124949 0.145 Uiso 0.5 1 calc R U P . .
H11D H 2.007931 1.180854 0.112183 0.145 Uiso 0.5 1 calc R U P . .
O32 O 1.3885(6) 1.7619(3) 0.3938(3) 0.092(3) Uani 1 1 d D . . . .
H32 H 1.372968 1.766881 0.415101 0.138 Uiso 1 1 d R U . . .
C107 C 1.4151(10) 1.7041(5) 0.3901(5) 0.108(6) Uani 1 1 d D . . . .
H10E H 1.421162 1.686200 0.414736 0.162 Uiso 1 1 calc R U . . .
H10F H 1.464442 1.704589 0.377265 0.162 Uiso 1 1 calc R U . . .
H10G H 1.378470 1.680785 0.375534 0.162 Uiso 1 1 calc R U . . .
O27 O 1.5708(5) 2.0480(3) 0.2414(2) 0.0623(19) Uani 1 1 d . . . . .
H27 H 1.533598 2.070221 0.241186 0.093 Uiso 1 1 d R U . . .
C103 C 1.5469(8) 1.9896(5) 0.2330(3) 0.069(3) Uani 1 1 d . . . . .
H10H H 1.531878 1.969283 0.255993 0.103 Uiso 1 1 calc R U . . .
H10I H 1.588933 1.967836 0.221253 0.103 Uiso 1 1 calc R U . . .
H10J H 1.503320 1.991080 0.215968 0.103 Uiso 1 1 calc R U . . .
O7W O 2.2374(15) 1.3697(11) 0.4619(7) 0.118(7) Uani 0.5 1 d . U P . .
H7WA H 2.243122 1.372823 0.485263 0.177 Uiso 0.5 1 d R U P . .
H7WB H 2.191292 1.378973 0.458173 0.177 Uiso 0.5 1 d R U P . .
O35 O 1.2056(4) 2.0613(3) 0.29653(18) 0.0538(17) Uani 1 1 d D . . . .
H35 H 1.240653 2.080356 0.285270 0.081 Uiso 1 1 d R U . . .
C109 C 1.1412(11) 2.0678(13) 0.2735(7) 0.177(10) Uani 1 1 d D U . . .
H10K H 1.156235 2.062549 0.247468 0.265 Uiso 1 1 calc R U . . .
H10L H 1.119484 2.107645 0.276891 0.265 Uiso 1 1 calc R U . . .
H10M H 1.103020 2.037800 0.280163 0.265 Uiso 1 1 calc R U . . .
O8W O 1.7084(12) 1.8501(8) 0.2634(7) 0.241(12) Uani 1 1 d . . . . .
H8WA H 1.755836 1.860489 0.260584 0.361 Uiso 1 1 d R U . . .
H8WB H 1.705016 1.815589 0.252594 0.361 Uiso 1 1 d R U . . .
O15W O 1.803(2) 1.7742(16) 0.2291(10) 0.180(13) Uani 0.5 1 d . U P . .
H15C H 1.849451 1.788314 0.228521 0.270 Uiso 0.5 1 d R U P . .
H15D H 1.821451 1.804334 0.217921 0.270 Uiso 0.5 1 d R U P . .
O20 O 1.2231(4) 1.1602(3) -0.05417(17) 0.0513(16) Uani 1 1 d . . . . .
O21 O 1.2687(6) 1.2017(4) -0.0044(2) 0.081(3) Uani 1 1 d . . . . .
O22 O 1.1626(5) 1.2315(4) -0.0298(3) 0.086(3) Uani 1 1 d . . . . .
O31 O 1.0256(7) 0.9929(6) 0.0675(4) 0.113(4) Uani 1 1 d D . . . .
H31 H 0.980672 0.983521 0.070146 0.170 Uiso 1 1 d R U . . .
O34 O 1.1141(4) 1.0396(3) 0.0099(2) 0.0623(19) Uani 1 1 d D . . . .
H34A H 1.107270 1.021503 0.029533 0.093 Uiso 1 1 d R U . . .
N8 N 1.2147(5) 1.1954(3) -0.0279(2) 0.0442(13) Uani 1 1 d . . . . .
C104 C 1.0556(11) 1.0112(9) 0.1018(5) 0.120(6) Uani 1 1 d D . . . .
H10N H 1.019593 1.001184 0.121717 0.179 Uiso 1 1 calc R U . . .
H10O H 1.063858 1.054354 0.101446 0.179 Uiso 1 1 calc R U . . .
H10P H 1.104236 0.990964 0.106306 0.179 Uiso 1 1 calc R U . . .
C105 C 1.1033(10) 1.1010(5) 0.0156(5) 0.104(5) Uani 1 1 d D . . . .
H10Q H 1.142204 1.115843 0.032888 0.156 Uiso 1 1 calc R U . . .
H10R H 1.052529 1.107885 0.026177 0.156 Uiso 1 1 calc R U . . .
H10S H 1.107765 1.121927 -0.008162 0.156 Uiso 1 1 calc R U . . .
O9W O 1.8438(17) 1.6202(12) 0.3251(8) 0.135(9) Uani 0.5 1 d . U P . .
H9WA H 1.882575 1.610261 0.311346 0.202 Uiso 0.5 1 d R U P . .
H9WB H 1.885685 1.613121 0.336236 0.202 Uiso 0.5 1 d R U P . .
O13W O 1.624(3) 1.761(3) 0.3580(15) 0.134(17) Uani 0.25 1 d . U P . .
H13C H 1.632949 1.797824 0.358572 0.161 Uiso 0.25 1 d R U P . .
H13D H 1.663419 1.743454 0.367022 0.161 Uiso 0.25 1 d R U P . .
O28 O 1.0988(6) 2.1892(6) 0.3832(3) 0.117(4) Uani 1 1 d D . . . .
H28A H 1.100939 2.221606 0.393663 0.175 Uiso 1 1 d R U . . .
C110 C 1.0781(13) 2.1946(9) 0.3454(5) 0.171(12) Uani 1 1 d D . . . .
H11E H 1.030562 2.217338 0.343491 0.257 Uiso 1 1 calc R U . . .
H11F H 1.070669 2.154918 0.334744 0.257 Uiso 1 1 calc R U . . .
H11G H 1.118659 2.215321 0.331875 0.257 Uiso 1 1 calc R U . . .
O10W O 1.9684(19) 1.5702(15) 0.2827(9) 0.160(11) Uani 0.5 1 d . U P . .
H10W H 1.955867 1.535798 0.275298 0.239 Uiso 0.5 1 d R U P . .
H10X H 1.931137 1.581618 0.295888 0.239 Uiso 0.5 1 d R U P . .
O33 O 1.9191(6) 1.3070(5) 0.0375(3) 0.093(3) Uani 1 1 d . . . . .
H33 H 1.877616 1.299351 0.028136 0.139 Uiso 1 1 d R U . . .
C106 C 1.9781(8) 1.2816(7) 0.0147(4) 0.086(4) Uani 1 1 d . . . . .
H10T H 2.026537 1.288339 0.026149 0.129 Uiso 1 1 d R U . . .
H10U H 1.970546 1.239809 0.011329 0.129 Uiso 1 1 d R U . . .
H10V H 1.976507 1.301119 -0.008991 0.129 Uiso 1 1 d R U . . .
O11W O 1.2142(14) 1.2317(10) 0.0719(7) 0.235(10) Uani 1 1 d . U . . .
H11N H 1.238989 1.222931 0.052357 0.352 Uiso 1 1 d R U . . .
H11O H 1.185509 1.201951 0.075527 0.352 Uiso 1 1 d R U . . .
O37 O 1.2608(13) 0.3791(10) 0.5376(6) 0.103(6) Uani 0.5 1 d . U P . .
H37 H 1.222893 0.366733 0.525572 0.154 Uiso 0.5 1 d R U P . .
C111 C 1.2443(17) 0.4317(14) 0.5527(9) 0.092(8) Uani 0.5 1 d . U P . .
H11H H 1.270256 0.435397 0.576684 0.137 Uiso 0.5 1 calc R U P . .
H11I H 1.189045 0.434819 0.556348 0.137 Uiso 0.5 1 calc R U P . .
H11J H 1.261427 0.463578 0.536031 0.137 Uiso 0.5 1 calc R U P . .
O16W O 2.1434(16) 1.3830(13) 0.2460(8) 0.136(9) Uani 0.5 1 d . U P . .
H16C H 2.133801 1.414331 0.258332 0.205 Uiso 0.5 1 d R U P . .
H16D H 2.123951 1.355041 0.258782 0.205 Uiso 0.5 1 d R U P . .
O39 O 0.9880(11) 1.9384(10) 0.2494(6) 0.095(6) Uani 0.5 1 d D U P . .
H39A H 0.983629 1.918606 0.269094 0.142 Uiso 0.5 1 d R U P . .
C118 C 1.0652(12) 1.9551(9) 0.2439(5) 0.067(7) Uani 0.5 1 d D . P . .
H11K H 1.098619 1.926762 0.256742 0.101 Uiso 0.5 1 calc R U P . .
H11L H 1.073561 1.995094 0.253991 0.101 Uiso 0.5 1 calc R U P . .
H11M H 1.076845 1.954940 0.217263 0.101 Uiso 0.5 1 calc R U P . .
O17 O 1.5873(6) 1.6420(5) 0.2767(3) 0.092(3) Uani 1 1 d . . . . .
O18 O 1.5807(5) 1.5852(4) 0.2279(3) 0.082(3) Uani 1 1 d . . . . .
O19 O 1.6892(5) 1.6007(6) 0.2545(3) 0.112(4) Uani 1 1 d . . . . .
N7 N 1.6202(5) 1.6186(3) 0.2514(2) 0.0442(13) 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
Dy1 Dy2 3.8510(4) . ?
Dy1 Dy3 3.8506(4) . ?
Dy1 Cu1 3.3889(9) . ?
Dy1 Cu4 3.3970(9) . ?
Dy1 O1W 2.350(5) . ?
Dy1 O2 2.380(5) . ?
Dy1 O2W 2.355(5) . ?
Dy1 O6 2.362(5) . ?
Dy1 O11 2.404(4) . ?
Dy1 O12 2.366(4) . ?
Dy1 O13 2.376(5) . ?
Dy1 O14 2.408(5) . ?
Dy2 Dy3 3.8456(4) . ?
Dy2 Cu3 3.3545(9) . ?
Dy2 Cu6 3.3639(9) . ?
Dy2 O3W 2.361(5) . ?
Dy2 O4W 2.353(5) . ?
Dy2 O8 2.348(5) . ?
Dy2 O10 2.372(5) . ?
Dy2 O13 2.386(5) . ?
Dy2 O14 2.387(5) . ?
Dy2 O15 2.381(5) . ?
Dy2 O16 2.395(4) . ?
Dy3 Cu2 3.3683(9) . ?
Dy3 Cu5 3.3767(9) . ?
Dy3 O4 2.341(5) . ?
Dy3 O5W 2.347(5) . ?
Dy3 O6W 2.372(5) . ?
Dy3 O11 2.378(5) . ?
Dy3 O12 2.411(4) . ?
Dy3 O15 2.414(5) . ?
Dy3 O16 2.367(5) . ?
Dy3 O30 2.365(5) . ?
Cu1 O1 1.898(5) . ?
Cu1 O2 1.942(5) . ?
Cu1 O11 1.934(5) . ?
Cu1 N1 1.904(6) . ?
Cu2 O3 1.892(5) . ?
Cu2 O4 1.956(5) . ?
Cu2 O12 1.950(5) . ?
Cu2 N2 1.914(6) . ?
Cu3 O7 1.896(5) . ?
Cu3 O8 1.936(5) . ?
Cu3 O13 1.956(5) . ?
Cu3 N3 1.907(6) . ?
Cu4 O5 1.903(5) . ?
Cu4 O6 1.944(5) . ?
Cu4 O14 1.953(4) . ?
Cu4 N4 1.926(6) . ?
Cu5 O15 1.948(5) . ?
Cu5 O29 1.900(5) . ?
Cu5 O30 1.958(5) . ?
Cu5 N5 1.911(6) . ?
Cu6 O9 1.901(5) . ?
Cu6 O10 1.950(5) . ?
Cu6 O16 1.942(5) . ?
Cu6 N6 1.912(6) . ?
O1 C1 1.312(9) . ?
O1W H1WA 0.8586 . ?
O1W H1WB 0.8569 . ?
O2 C17 1.434(8) . ?
O2W H2WA 0.8538 . ?
O2W H2WB 0.8528 . ?
O3 C18 1.313(9) . ?
O3W H3WA 0.8491 . ?
O3W H3WB 0.8463 . ?
O4 C34 1.443(8) . ?
O4W H4WA 0.8568 . ?
O4W H4WB 0.8554 . ?
O5 C52 1.326(9) . ?
O5W H5WA 0.8571 . ?
O5W H5WB 0.8586 . ?
O6 C68 1.424(9) . ?
O6W H6WA 0.8601 . ?
O6W H6WB 0.8581 . ?
O7 C35 1.319(9) . ?
O8 C51 1.436(9) . ?
O9 C86 1.306(9) . ?
O10 C102 1.424(9) . ?
O11 H11 0.9117 . ?
O12 H12 0.9101 . ?
O13 H13 0.9077 . ?
O14 H14 0.9102 . ?
O15 H15 0.9119 . ?
O16 H16 0.9113 . ?
O29 C69 1.305(9) . ?
O30 C85 1.407(9) . ?
N1 C11 1.280(9) . ?
N1 C12 1.472(9) . ?
N2 C28 1.273(9) . ?
N2 C108 1.468(9) . ?
N3 C45 1.284(10) . ?
N3 C46 1.469(10) . ?
N4 C62 1.286(10) . ?
N4 C63 1.472(10) . ?
N5 C79 1.285(10) . ?
N5 C80 1.462(9) . ?
N6 C96 1.283(9) . ?
N6 C97 1.486(9) . ?
C1 C2 1.421(11) . ?
C1 C10 1.393(11) . ?
C2 H2 0.9500 . ?
C2 C3 1.348(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.417(14) . ?
C4 C5 1.410(12) . ?
C4 C9 1.394(12) . ?
C5 H5 0.9500 . ?
C5 C6 1.358(15) . ?
C6 H6 0.9500 . ?
C6 C7 1.382(14) . ?
C7 H7 0.9500 . ?
C7 C8 1.361(12) . ?
C8 H8 0.9500 . ?
C8 C9 1.406(12) . ?
C9 C10 1.462(10) . ?
C10 C11 1.446(10) . ?
C11 H11A 0.9500 . ?
C12 H12A 1.0000 . ?
C12 C13 1.510(10) . ?
C12 C17 1.531(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.519(11) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.489(13) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.526(11) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.521(10) . ?
C17 H17 1.0000 . ?
C18 C19 1.429(11) . ?
C18 C27 1.396(11) . ?
C19 H19 0.9500 . ?
C19 C20 1.329(12) . ?
C20 H20 0.9500 . ?
C20 C21 1.433(13) . ?
C21 C22 1.390(12) . ?
C21 C26 1.409(12) . ?
C22 H22 0.9500 . ?
C22 C23 1.354(14) . ?
C23 H23 0.9500 . ?
C23 C24 1.389(14) . ?
C24 H24 0.9500 . ?
C24 C25 1.344(12) . ?
C25 H25 0.9500 . ?
C25 C26 1.411(12) . ?
C26 C27 1.447(10) . ?
C27 C28 1.450(11) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C29 C38 1.436(11) . ?
C29 C40 1.322(15) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.522(12) . ?
C30 C108 1.512(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.513(14) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.522(11) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.513(10) . ?
C34 H34 1.0000 . ?
C34 C108 1.514(10) . ?
C35 C36 1.417(12) . ?
C35 C44 1.406(12) . ?
C36 H36 0.9500 . ?
C36 C39 1.349(12) . ?
C38 C39 1.423(13) . ?
C38 C43 1.394(12) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C40 C41 1.410(16) . ?
C41 H41 0.9500 . ?
C41 C42 1.362(12) . ?
C42 H42 0.9500 . ?
C42 C43 1.410(12) . ?
C43 C44 1.454(10) . ?
C44 C45 1.438(12) . ?
C45 H45 0.9500 . ?
C46 H46 1.0000 . ?
C46 C47 1.525(11) . ?
C46 C51 1.525(11) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C48 1.491(14) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C49 1.489(14) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.517(12) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C51 1.506(11) . ?
C51 H51 1.0000 . ?
C52 C53 1.436(12) . ?
C52 C61 1.387(11) . ?
C53 H53 0.9500 . ?
C53 C54 1.327(12) . ?
C54 H54 0.9500 . ?
C54 C55 1.415(13) . ?
C55 C56 1.425(12) . ?
C55 C60 1.411(13) . ?
C56 H56 0.9500 . ?
C56 C57 1.360(16) . ?
C57 H57 0.9500 . ?
C57 C58 1.379(17) . ?
C58 H58 0.9500 . ?
C58 C59 1.372(13) . ?
C59 H59 0.9500 . ?
C59 C60 1.408(12) . ?
C60 C61 1.463(10) . ?
C61 C62 1.424(12) . ?
C62 H62 0.9500 . ?
C63 H63 1.0000 . ?
C63 C64 1.526(11) . ?
C63 C68 1.512(11) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.539(13) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.512(14) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C67 1.515(13) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C67 C68 1.518(11) . ?
C68 H68 1.0000 . ?
C69 C70 1.451(11) . ?
C69 C78 1.407(12) . ?
C70 H70 0.9500 . ?
C70 C71 1.336(12) . ?
C71 H71 0.9500 . ?
C71 C72 1.423(14) . ?
C72 C73 1.406(12) . ?
C72 C77 1.399(13) . ?
C73 H73 0.9500 . ?
C73 C74 1.351(15) . ?
C74 H74 0.9500 . ?
C74 C75 1.389(16) . ?
C75 H75 0.9500 . ?
C75 C76 1.381(12) . ?
C76 H76 0.9500 . ?
C76 C77 1.415(13) . ?
C77 C78 1.429(11) . ?
C78 C79 1.444(11) . ?
C79 H79 0.9500 . ?
C80 H80 1.0000 . ?
C80 C81 1.508(11) . ?
C80 C85 1.537(10) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C81 C82 1.504(12) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C82 C83 1.527(14) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C83 C84 1.531(11) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C84 C85 1.516(10) . ?
C85 H85 1.0000 . ?
C86 C87 1.415(10) . ?
C86 C95 1.407(11) . ?
C87 H87 0.9500 . ?
C87 C88 1.348(11) . ?
C88 H88 0.9500 . ?
C88 C89 1.422(12) . ?
C89 C90 1.420(11) . ?
C89 C94 1.406(11) . ?
C90 H90 0.9500 . ?
C90 C91 1.358(13) . ?
C91 H91 0.9500 . ?
C91 C92 1.399(13) . ?
C92 H92 0.9500 . ?
C92 C93 1.375(11) . ?
C93 H93 0.9500 . ?
C93 C94 1.388(11) . ?
C94 C95 1.451(10) . ?
C95 C96 1.453(10) . ?
C96 H96 0.9500 . ?
C97 H97 1.0000 . ?
C97 C98 1.524(11) . ?
C97 C102 1.525(10) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C98 C99 1.534(11) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C99 C100 1.502(15) . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C100 C101 1.528(12) . ?
C101 H10C 0.9900 . ?
C101 H10D 0.9900 . ?
C101 C102 1.509(10) . ?
C102 H102 1.0000 . ?
C108 H108 1.0000 . ?
Cl1 O23 1.470(19) . ?
Cl1 O24 1.422(13) . ?
Cl1 O25 1.422(17) . ?
Cl1 O26 1.475(17) . ?
O38 H38 0.8197 . ?
O38 C112 1.416(14) . ?
C112 H11B 0.9800 . ?
C112 H11C 0.9800 . ?
C112 H11D 0.9800 . ?
O32 H32 0.8187 . ?
O32 C107 1.387(10) . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C107 H10G 0.9800 . ?
O27 H27 0.8211 . ?
O27 C103 1.411(13) . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C103 H10J 0.9800 . ?
O7W H7WA 0.8473 . ?
O7W H7WB 0.8455 . ?
O35 H35 0.8504 . ?
O35 C109 1.408(13) . ?
C109 H10K 0.9800 . ?
C109 H10L 0.9800 . ?
C109 H10M 0.9800 . ?
O8W H8WA 0.8696 . ?
O8W H8WB 0.8705 . ?
O15W H15C 0.8702 . ?
O15W H15D 0.8498 . ?
O20 N8 1.240(9) . ?
O21 N8 1.277(11) . ?
O22 N8 1.223(11) . ?
O31 H31 0.8214 . ?
O31 C104 1.404(12) . ?
O34 H34A 0.8216 . ?
O34 C105 1.408(11) . ?
C104 H10N 0.9800 . ?
C104 H10O 0.9800 . ?
C104 H10P 0.9800 . ?
C105 H10Q 0.9800 . ?
C105 H10R 0.9800 . ?
C105 H10S 0.9800 . ?
O9W H9WA 0.8708 . ?
O9W H9WB 0.8506 . ?
O13W H13C 0.8504 . ?
O13W H13D 0.8500 . ?
O28 H28A 0.8210 . ?
O28 C110 1.411(12) . ?
C110 H11E 0.9800 . ?
C110 H11F 0.9800 . ?
C110 H11G 0.9800 . ?
O10W H10W 0.8464 . ?
O10W H10X 0.8473 . ?
O33 H33 0.8194 . ?
O33 C106 1.437(16) . ?
C106 H10T 0.9551 . ?
C106 H10U 0.9563 . ?
C106 H10V 0.9591 . ?
O11W H11N 0.8489 . ?
O11W H11O 0.8466 . ?
O37 H37 0.8395 . ?
O37 C111 1.33(3) . ?
C111 H11H 0.9800 . ?
C111 H11I 0.9800 . ?
C111 H11J 0.9800 . ?
O16W H16C 0.8502 . ?
O16W H16D 0.8502 . ?
O39 H39A 0.8400 . ?
O39 C118 1.418(13) . ?
C118 H11K 0.9800 . ?
C118 H11L 0.9800 . ?
C118 H11M 0.9800 . ?
O17 N7 1.198(11) . ?
O18 N7 1.327(11) . ?
O19 N7 1.280(12) . ?

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
Dy3 Dy1 Dy2 59.910(8) . . ?
Cu1 Dy1 Dy2 110.602(17) . . ?
Cu1 Dy1 Dy3 58.813(16) . . ?
Cu1 Dy1 Cu4 169.97(2) . . ?
Cu4 Dy1 Dy2 59.468(17) . . ?
Cu4 Dy1 Dy3 111.917(17) . . ?
O1W Dy1 Dy2 113.37(13) . . ?
O1W Dy1 Dy3 119.84(13) . . ?
O1W Dy1 Cu1 74.18(13) . . ?
O1W Dy1 Cu4 110.21(13) . . ?
O1W Dy1 O2 77.09(17) . . ?
O1W Dy1 O2W 115.43(18) . . ?
O1W Dy1 O6 79.32(17) . . ?
O1W Dy1 O11 84.06(17) . . ?
O1W Dy1 O12 145.36(17) . . ?
O1W Dy1 O13 77.24(17) . . ?
O1W Dy1 O14 135.14(17) . . ?
O2 Dy1 Dy2 141.63(11) . . ?
O2 Dy1 Dy3 82.55(12) . . ?
O2 Dy1 Cu1 33.98(11) . . ?
O2 Dy1 Cu4 154.53(11) . . ?
O2 Dy1 O11 67.34(16) . . ?
O2 Dy1 O14 147.67(16) . . ?
O2W Dy1 Dy2 122.29(13) . . ?
O2W Dy1 Dy3 114.96(12) . . ?
O2W Dy1 Cu1 110.69(12) . . ?
O2W Dy1 Cu4 76.04(12) . . ?
O2W Dy1 O2 78.83(16) . . ?
O2W Dy1 O6 76.94(17) . . ?
O2W Dy1 O11 136.12(16) . . ?
O2W Dy1 O12 78.28(16) . . ?
O2W Dy1 O13 146.91(17) . . ?
O2W Dy1 O14 86.36(16) . . ?
O6 Dy1 Dy2 83.76(12) . . ?
O6 Dy1 Dy3 142.95(12) . . ?
O6 Dy1 Cu1 153.15(12) . . ?
O6 Dy1 Cu4 33.77(12) . . ?
O6 Dy1 O2 134.37(17) . . ?
O6 Dy1 O11 146.93(17) . . ?
O6 Dy1 O12 135.26(16) . . ?
O6 Dy1 O13 75.77(17) . . ?
O6 Dy1 O14 67.62(16) . . ?
O11 Dy1 Dy2 76.89(11) . . ?
O11 Dy1 Dy3 36.15(11) . . ?
O11 Dy1 Cu1 33.89(11) . . ?
O11 Dy1 Cu4 136.32(11) . . ?
O11 Dy1 O14 107.51(15) . . ?
O12 Dy1 Dy2 78.86(11) . . ?
O12 Dy1 Dy3 36.68(11) . . ?
O12 Dy1 Cu1 71.18(11) . . ?
O12 Dy1 Cu4 103.88(11) . . ?
O12 Dy1 O2 74.74(16) . . ?
O12 Dy1 O11 66.72(15) . . ?
O12 Dy1 O13 109.24(16) . . ?
O12 Dy1 O14 74.18(15) . . ?
O13 Dy1 Dy2 36.13(11) . . ?
O13 Dy1 Dy3 78.25(11) . . ?
O13 Dy1 Cu1 102.10(11) . . ?
O13 Dy1 Cu4 70.86(11) . . ?
O13 Dy1 O2 134.16(16) . . ?
O13 Dy1 O11 72.77(16) . . ?
O13 Dy1 O14 66.10(15) . . ?
O14 Dy1 Dy2 36.37(11) . . ?
O14 Dy1 Dy3 77.91(11) . . ?
O14 Dy1 Cu1 136.72(11) . . ?
O14 Dy1 Cu4 34.25(11) . . ?
Dy3 Dy2 Dy1 60.040(8) . . ?
Cu3 Dy2 Dy1 60.420(17) . . ?
Cu3 Dy2 Dy3 113.052(18) . . ?
Cu3 Dy2 Cu6 171.54(2) . . ?
Cu6 Dy2 Dy1 111.487(17) . . ?
Cu6 Dy2 Dy3 58.704(16) . . ?
O3W Dy2 Dy1 118.98(14) . . ?
O3W Dy2 Dy3 113.79(13) . . ?
O3W Dy2 Cu3 72.94(13) . . ?
O3W Dy2 Cu6 111.34(13) . . ?
O3W Dy2 O10 78.95(17) . . ?
O3W Dy2 O13 83.57(17) . . ?
O3W Dy2 O14 145.03(17) . . ?
O3W Dy2 O15 76.82(18) . . ?
O3W Dy2 O16 136.40(17) . . ?
O4W Dy2 Dy1 114.84(14) . . ?
O4W Dy2 Dy3 118.98(13) . . ?
O4W Dy2 Cu3 111.53(13) . . ?
O4W Dy2 Cu6 73.44(13) . . ?
O4W Dy2 O3W 117.65(19) . . ?
O4W Dy2 O10 77.63(18) . . ?
O4W Dy2 O13 136.49(17) . . ?
O4W Dy2 O14 78.10(17) . . ?
O4W Dy2 O15 144.42(17) . . ?
O4W Dy2 O16 83.34(17) . . ?
O8 Dy2 Dy1 84.21(13) . . ?
O8 Dy2 Dy3 143.80(13) . . ?
O8 Dy2 Cu3 34.28(12) . . ?
O8 Dy2 Cu6 152.41(12) . . ?
O8 Dy2 O3W 77.07(18) . . ?
O8 Dy2 O4W 79.41(18) . . ?
O8 Dy2 O10 133.74(18) . . ?
O8 Dy2 O13 68.50(17) . . ?
O8 Dy2 O14 75.65(17) . . ?
O8 Dy2 O15 136.06(16) . . ?
O8 Dy2 O16 146.50(16) . . ?
O10 Dy2 Dy1 142.00(12) . . ?
O10 Dy2 Dy3 82.29(12) . . ?
O10 Dy2 Cu3 151.53(11) . . ?
O10 Dy2 Cu6 34.57(11) . . ?
O10 Dy2 O13 145.84(17) . . ?
O10 Dy2 O14 136.02(16) . . ?
O10 Dy2 O15 73.58(17) . . ?
O10 Dy2 O16 68.41(15) . . ?
O13 Dy2 Dy1 35.95(11) . . ?
O13 Dy2 Dy3 78.25(11) . . ?
O13 Dy2 Cu3 34.95(11) . . ?
O13 Dy2 Cu6 136.94(11) . . ?
O13 Dy2 O14 66.28(16) . . ?
O13 Dy2 O16 107.69(15) . . ?
O14 Dy2 Dy1 36.75(11) . . ?
O14 Dy2 Dy3 78.23(11) . . ?
O14 Dy2 Cu3 72.17(11) . . ?
O14 Dy2 Cu6 102.95(11) . . ?
O14 Dy2 O16 72.79(15) . . ?
O15 Dy2 Dy1 78.40(12) . . ?
O15 Dy2 Dy3 36.98(11) . . ?
O15 Dy2 Cu3 103.72(11) . . ?
O15 Dy2 Cu6 70.99(11) . . ?
O15 Dy2 O13 73.96(16) . . ?
O15 Dy2 O14 109.25(16) . . ?
O15 Dy2 O16 66.95(16) . . ?
O16 Dy2 Dy1 77.30(11) . . ?
O16 Dy2 Dy3 35.91(11) . . ?
O16 Dy2 Cu3 137.67(11) . . ?
O16 Dy2 Cu6 34.50(11) . . ?
Dy2 Dy3 Dy1 60.050(8) . . ?
Cu2 Dy3 Dy1 59.669(16) . . ?
Cu2 Dy3 Dy2 112.919(17) . . ?
Cu2 Dy3 Cu5 171.97(2) . . ?
Cu5 Dy3 Dy1 112.342(18) . . ?
Cu5 Dy3 Dy2 59.702(17) . . ?
O4 Dy3 Dy1 83.70(11) . . ?
O4 Dy3 Dy2 143.48(11) . . ?
O4 Dy3 Cu2 34.47(11) . . ?
O4 Dy3 Cu5 150.75(11) . . ?
O4 Dy3 O5W 79.75(17) . . ?
O4 Dy3 O6W 77.65(17) . . ?
O4 Dy3 O11 75.55(16) . . ?
O4 Dy3 O12 68.50(15) . . ?
O4 Dy3 O15 145.46(16) . . ?
O4 Dy3 O16 136.87(15) . . ?
O4 Dy3 O30 133.10(16) . . ?
O5W Dy3 Dy1 114.32(14) . . ?
O5W Dy3 Dy2 117.45(14) . . ?
O5W Dy3 Cu2 111.85(13) . . ?
O5W Dy3 Cu5 71.41(13) . . ?
O5W Dy3 O6W 119.2(2) . . ?
O5W Dy3 O11 77.74(18) . . ?
O5W Dy3 O12 136.58(17) . . ?
O5W Dy3 O15 81.41(18) . . ?
O5W Dy3 O16 143.37(17) . . ?
O5W Dy3 O30 76.24(18) . . ?
O6W Dy3 Dy1 118.11(13) . . ?
O6W Dy3 Dy2 114.04(13) . . ?
O6W Dy3 Cu2 73.12(13) . . ?
O6W Dy3 Cu5 112.16(13) . . ?
O6W Dy3 O11 144.79(17) . . ?
O6W Dy3 O12 82.74(17) . . ?
O6W Dy3 O15 136.88(17) . . ?
O11 Dy3 Dy1 36.60(11) . . ?
O11 Dy3 Dy2 77.26(11) . . ?
O11 Dy3 Cu2 71.84(11) . . ?
O11 Dy3 Cu5 102.34(11) . . ?
O11 Dy3 O12 66.42(15) . . ?
O11 Dy3 O15 72.29(16) . . ?
O12 Dy3 Dy1 35.90(11) . . ?
O12 Dy3 Dy2 78.52(11) . . ?
O12 Dy3 Cu2 34.67(11) . . ?
O12 Dy3 Cu5 138.21(11) . . ?
O12 Dy3 O15 108.59(15) . . ?
O15 Dy3 Dy1 78.06(11) . . ?
O15 Dy3 Dy2 36.38(11) . . ?
O15 Dy3 Cu2 137.62(11) . . ?
O15 Dy3 Cu5 34.52(11) . . ?
O16 Dy3 Dy1 77.58(11) . . ?
O16 Dy3 Dy2 36.40(11) . . ?
O16 Dy3 Cu2 104.02(11) . . ?
O16 Dy3 Cu5 72.07(11) . . ?
O16 Dy3 O6W 77.66(17) . . ?
O16 Dy3 O11 107.67(16) . . ?
O16 Dy3 O12 73.74(15) . . ?
O16 Dy3 O15 66.84(15) . . ?
O30 Dy3 Dy1 143.04(12) . . ?
O30 Dy3 Dy2 83.38(12) . . ?
O30 Dy3 Cu2 152.36(12) . . ?
O30 Dy3 Cu5 34.51(12) . . ?
O30 Dy3 O6W 79.90(17) . . ?
O30 Dy3 O11 135.30(16) . . ?
O30 Dy3 O12 147.13(16) . . ?
O30 Dy3 O15 68.37(16) . . ?
O30 Dy3 O16 75.39(17) . . ?
O1 Cu1 Dy1 133.65(16) . . ?
O1 Cu1 O2 172.8(2) . . ?
O1 Cu1 O11 92.0(2) . . ?
O1 Cu1 N1 94.1(2) . . ?
O2 Cu1 Dy1 43.22(14) . . ?
O11 Cu1 Dy1 43.89(13) . . ?
O11 Cu1 O2 86.4(2) . . ?
N1 Cu1 Dy1 129.24(18) . . ?
N1 Cu1 O2 87.2(2) . . ?
N1 Cu1 O11 172.9(2) . . ?
O3 Cu2 Dy3 136.81(16) . . ?
O3 Cu2 O4 178.3(2) . . ?
O3 Cu2 O12 93.3(2) . . ?
O3 Cu2 N2 92.8(2) . . ?
O4 Cu2 Dy3 42.66(14) . . ?
O12 Cu2 Dy3 44.70(13) . . ?
O12 Cu2 O4 86.47(19) . . ?
N2 Cu2 Dy3 127.11(18) . . ?
N2 Cu2 O4 87.1(2) . . ?
N2 Cu2 O12 169.3(2) . . ?
O7 Cu3 Dy2 136.66(18) . . ?
O7 Cu3 O8 178.8(2) . . ?
O7 Cu3 O13 93.5(2) . . ?
O7 Cu3 N3 93.3(3) . . ?
O8 Cu3 Dy2 43.07(14) . . ?
O8 Cu3 O13 86.4(2) . . ?
O13 Cu3 Dy2 44.35(14) . . ?
N3 Cu3 Dy2 126.2(2) . . ?
N3 Cu3 O8 86.5(2) . . ?
N3 Cu3 O13 167.5(3) . . ?
O5 Cu4 Dy1 137.15(16) . . ?
O5 Cu4 O6 177.4(2) . . ?
O5 Cu4 O14 94.2(2) . . ?
O5 Cu4 N4 93.1(2) . . ?
O6 Cu4 Dy1 42.49(15) . . ?
O6 Cu4 O14 85.9(2) . . ?
O14 Cu4 Dy1 43.94(14) . . ?
N4 Cu4 Dy1 127.09(19) . . ?
N4 Cu4 O6 86.5(2) . . ?
N4 Cu4 O14 169.1(2) . . ?
O15 Cu5 Dy3 44.60(14) . . ?
O15 Cu5 O30 86.9(2) . . ?
O29 Cu5 Dy3 136.21(17) . . ?
O29 Cu5 O15 93.2(2) . . ?
O29 Cu5 O30 176.9(2) . . ?
O29 Cu5 N5 92.9(2) . . ?
O30 Cu5 Dy3 43.19(14) . . ?
N5 Cu5 Dy3 126.73(19) . . ?
N5 Cu5 O15 168.4(2) . . ?
N5 Cu5 O30 86.5(2) . . ?
O9 Cu6 Dy2 132.60(15) . . ?
O9 Cu6 O10 171.1(2) . . ?
O9 Cu6 O16 91.3(2) . . ?
O9 Cu6 N6 94.5(2) . . ?
O10 Cu6 Dy2 43.66(14) . . ?
O16 Cu6 Dy2 44.30(13) . . ?
O16 Cu6 O10 87.04(19) . . ?
N6 Cu6 Dy2 128.89(17) . . ?
N6 Cu6 O10 86.6(2) . . ?
N6 Cu6 O16 173.0(2) . . ?
C1 O1 Cu1 126.5(5) . . ?
Dy1 O1W H1WA 109.7 . . ?
Dy1 O1W H1WB 109.9 . . ?
H1WA O1W H1WB 104.1 . . ?
Cu1 O2 Dy1 102.8(2) . . ?
C17 O2 Dy1 134.5(4) . . ?
C17 O2 Cu1 106.3(4) . . ?
Dy1 O2W H2WA 109.3 . . ?
Dy1 O2W H2WB 109.5 . . ?
H2WA O2W H2WB 104.5 . . ?
C18 O3 Cu2 127.0(5) . . ?
Dy2 O3W H3WA 109.5 . . ?
Dy2 O3W H3WB 109.6 . . ?
H3WA O3W H3WB 104.6 . . ?
Cu2 O4 Dy3 102.87(19) . . ?
C34 O4 Dy3 133.8(4) . . ?
C34 O4 Cu2 106.6(4) . . ?
Dy2 O4W H4WA 109.5 . . ?
Dy2 O4W H4WB 109.4 . . ?
H4WA O4W H4WB 104.3 . . ?
C52 O5 Cu4 127.3(5) . . ?
Dy3 O5W H5WA 109.5 . . ?
Dy3 O5W H5WB 109.6 . . ?
H5WA O5W H5WB 104.2 . . ?
Cu4 O6 Dy1 103.7(2) . . ?
C68 O6 Dy1 130.8(4) . . ?
C68 O6 Cu4 106.5(4) . . ?
Dy3 O6W H6WA 109.8 . . ?
Dy3 O6W H6WB 109.8 . . ?
H6WA O6W H6WB 104.1 . . ?
C35 O7 Cu3 126.6(5) . . ?
Cu3 O8 Dy2 102.6(2) . . ?
C51 O8 Dy2 129.8(4) . . ?
C51 O8 Cu3 107.7(4) . . ?
C86 O9 Cu6 126.0(5) . . ?
Cu6 O10 Dy2 101.8(2) . . ?
C102 O10 Dy2 132.9(4) . . ?
C102 O10 Cu6 105.9(4) . . ?
Dy1 O11 H11 116.2 . . ?
Dy3 O11 Dy1 107.26(17) . . ?
Dy3 O11 H11 107.3 . . ?
Cu1 O11 Dy1 102.22(19) . . ?
Cu1 O11 Dy3 111.7(2) . . ?
Cu1 O11 H11 112.1 . . ?
Dy1 O12 Dy3 107.42(17) . . ?
Dy1 O12 H12 105.8 . . ?
Dy3 O12 H12 117.7 . . ?
Cu2 O12 Dy1 113.5(2) . . ?
Cu2 O12 Dy3 100.63(18) . . ?
Cu2 O12 H12 112.0 . . ?
Dy1 O13 Dy2 107.92(18) . . ?
Dy1 O13 H13 104.8 . . ?
Dy2 O13 H13 117.8 . . ?
Cu3 O13 Dy1 114.5(2) . . ?
Cu3 O13 Dy2 100.70(19) . . ?
Cu3 O13 H13 111.4 . . ?
Dy1 O14 H14 116.8 . . ?
Dy2 O14 Dy1 106.87(17) . . ?
Dy2 O14 H14 107.3 . . ?
Cu4 O14 Dy1 101.81(19) . . ?
Cu4 O14 Dy2 112.5(2) . . ?
Cu4 O14 H14 111.6 . . ?
Dy2 O15 Dy3 106.64(18) . . ?
Dy2 O15 H15 106.6 . . ?
Dy3 O15 H15 117.9 . . ?
Cu5 O15 Dy2 113.0(2) . . ?
Cu5 O15 Dy3 100.88(19) . . ?
Cu5 O15 H15 111.9 . . ?
Dy2 O16 H16 116.2 . . ?
Dy3 O16 Dy2 107.70(17) . . ?
Dy3 O16 H16 107.4 . . ?
Cu6 O16 Dy2 101.20(18) . . ?
Cu6 O16 Dy3 110.9(2) . . ?
Cu6 O16 H16 113.2 . . ?
C69 O29 Cu5 126.8(5) . . ?
Cu5 O30 Dy3 102.3(2) . . ?
C85 O30 Dy3 132.4(4) . . ?
C85 O30 Cu5 107.8(4) . . ?
C11 N1 Cu1 126.0(5) . . ?
C11 N1 C12 122.8(6) . . ?
C12 N1 Cu1 111.2(4) . . ?
C28 N2 Cu2 125.7(5) . . ?
C28 N2 C108 123.5(6) . . ?
C108 N2 Cu2 110.4(4) . . ?
C45 N3 Cu3 125.8(6) . . ?
C45 N3 C46 122.4(7) . . ?
C46 N3 Cu3 111.4(5) . . ?
C62 N4 Cu4 125.5(6) . . ?
C62 N4 C63 123.9(6) . . ?
C63 N4 Cu4 110.4(4) . . ?
C79 N5 Cu5 125.9(5) . . ?
C79 N5 C80 123.3(6) . . ?
C80 N5 Cu5 110.6(4) . . ?
C96 N6 Cu6 126.1(5) . . ?
C96 N6 C97 123.1(6) . . ?
C97 N6 Cu6 110.8(4) . . ?
O1 C1 C2 115.7(7) . . ?
O1 C1 C10 125.1(7) . . ?
C10 C1 C2 119.1(7) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 C1 121.8(8) . . ?
C3 C2 H2 119.1 . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.2(8) . . ?
C4 C3 H3 119.4 . . ?
C5 C4 C3 120.6(8) . . ?
C9 C4 C3 118.9(8) . . ?
C9 C4 C5 120.4(9) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 C4 121.5(9) . . ?
C6 C5 H5 119.3 . . ?
C5 C6 H6 120.9 . . ?
C5 C6 C7 118.1(9) . . ?
C7 C6 H6 120.9 . . ?
C6 C7 H7 119.1 . . ?
C8 C7 C6 121.7(9) . . ?
C8 C7 H7 119.1 . . ?
C7 C8 H8 119.2 . . ?
C7 C8 C9 121.6(8) . . ?
C9 C8 H8 119.2 . . ?
C4 C9 C8 116.6(7) . . ?
C4 C9 C10 120.0(7) . . ?
C8 C9 C10 123.4(7) . . ?
C1 C10 C9 118.9(7) . . ?
C1 C10 C11 122.0(7) . . ?
C11 C10 C9 119.0(7) . . ?
N1 C11 C10 125.7(7) . . ?
N1 C11 H11A 117.1 . . ?
C10 C11 H11A 117.1 . . ?
N1 C12 H12A 106.8 . . ?
N1 C12 C13 118.4(6) . . ?
N1 C12 C17 106.2(5) . . ?
C13 C12 H12A 106.8 . . ?
C13 C12 C17 111.3(6) . . ?
C17 C12 H12A 106.8 . . ?
C12 C13 H13A 109.7 . . ?
C12 C13 H13B 109.7 . . ?
C12 C13 C14 109.6(6) . . ?
H13A C13 H13B 108.2 . . ?
C14 C13 H13A 109.7 . . ?
C14 C13 H13B 109.7 . . ?
C13 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 C13 112.1(8) . . ?
C15 C14 H14A 109.2 . . ?
C15 C14 H14B 109.2 . . ?
C14 C15 H15A 109.4 . . ?
C14 C15 H15B 109.4 . . ?
C14 C15 C16 111.4(7) . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
C15 C16 H16A 109.9 . . ?
C15 C16 H16B 109.9 . . ?
H16A C16 H16B 108.3 . . ?
C17 C16 C15 108.9(6) . . ?
C17 C16 H16A 109.9 . . ?
C17 C16 H16B 109.9 . . ?
O2 C17 C12 108.8(6) . . ?
O2 C17 C16 113.0(6) . . ?
O2 C17 H17 107.9 . . ?
C12 C17 H17 107.9 . . ?
C16 C17 C12 111.1(6) . . ?
C16 C17 H17 107.9 . . ?
O3 C18 C19 116.8(7) . . ?
O3 C18 C27 124.6(7) . . ?
C27 C18 C19 118.6(7) . . ?
C18 C19 H19 119.0 . . ?
C20 C19 C18 122.0(8) . . ?
C20 C19 H19 119.0 . . ?
C19 C20 H20 119.3 . . ?
C19 C20 C21 121.5(8) . . ?
C21 C20 H20 119.3 . . ?
C22 C21 C20 121.6(8) . . ?
C22 C21 C26 120.1(8) . . ?
C26 C21 C20 118.3(7) . . ?
C21 C22 H22 118.9 . . ?
C23 C22 C21 122.2(9) . . ?
C23 C22 H22 118.9 . . ?
C22 C23 H23 120.8 . . ?
C22 C23 C24 118.4(8) . . ?
C24 C23 H23 120.8 . . ?
C23 C24 H24 119.6 . . ?
C25 C24 C23 120.7(9) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 H25 118.6 . . ?
C24 C25 C26 122.8(9) . . ?
C26 C25 H25 118.6 . . ?
C21 C26 C25 115.7(7) . . ?
C21 C26 C27 119.7(7) . . ?
C25 C26 C27 124.6(8) . . ?
C18 C27 C26 119.7(7) . . ?
C18 C27 C28 121.5(7) . . ?
C26 C27 C28 118.7(7) . . ?
N2 C28 C27 125.9(7) . . ?
N2 C28 H28 117.0 . . ?
C27 C28 H28 117.0 . . ?
C38 C29 H29 119.8 . . ?
C40 C29 H29 119.8 . . ?
C40 C29 C38 120.4(9) . . ?
H30A C30 H30B 108.3 . . ?
C31 C30 H30A 109.9 . . ?
C31 C30 H30B 109.9 . . ?
C108 C30 H30A 109.9 . . ?
C108 C30 H30B 109.9 . . ?
C108 C30 C31 109.0(7) . . ?
C30 C31 H31A 109.2 . . ?
C30 C31 H31B 109.2 . . ?
H31A C31 H31B 107.9 . . ?
C32 C31 C30 111.9(8) . . ?
C32 C31 H31A 109.2 . . ?
C32 C31 H31B 109.2 . . ?
C31 C32 H32A 109.4 . . ?
C31 C32 H32B 109.4 . . ?
C31 C32 C33 111.2(7) . . ?
H32A C32 H32B 108.0 . . ?
C33 C32 H32A 109.4 . . ?
C33 C32 H32B 109.4 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
C34 C33 C32 110.9(7) . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
O4 C34 C33 112.3(6) . . ?
O4 C34 H34 108.4 . . ?
O4 C34 C108 109.5(6) . . ?
C33 C34 H34 108.4 . . ?
C33 C34 C108 109.9(6) . . ?
C108 C34 H34 108.4 . . ?
O7 C35 C36 116.7(8) . . ?
O7 C35 C44 124.6(7) . . ?
C44 C35 C36 118.7(7) . . ?
C35 C36 H36 118.6 . . ?
C39 C36 C35 122.7(9) . . ?
C39 C36 H36 118.6 . . ?
C39 C38 C29 119.6(8) . . ?
C43 C38 C29 120.1(8) . . ?
C43 C38 C39 120.3(7) . . ?
C36 C39 C38 119.7(9) . . ?
C36 C39 H39 120.1 . . ?
C38 C39 H39 120.1 . . ?
C29 C40 H40 119.8 . . ?
C29 C40 C41 120.4(8) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 119.9 . . ?
C42 C41 C40 120.1(10) . . ?
C42 C41 H41 119.9 . . ?
C41 C42 H42 119.3 . . ?
C41 C42 C43 121.4(10) . . ?
C43 C42 H42 119.3 . . ?
C38 C43 C42 117.4(7) . . ?
C38 C43 C44 119.4(8) . . ?
C42 C43 C44 123.2(8) . . ?
C35 C44 C43 119.0(7) . . ?
C35 C44 C45 121.8(7) . . ?
C45 C44 C43 119.1(7) . . ?
N3 C45 C44 125.8(7) . . ?
N3 C45 H45 117.1 . . ?
C44 C45 H45 117.1 . . ?
N3 C46 H46 107.5 . . ?
N3 C46 C47 117.9(7) . . ?
N3 C46 C51 105.4(6) . . ?
C47 C46 H46 107.5 . . ?
C47 C46 C51 110.5(7) . . ?
C51 C46 H46 107.5 . . ?
C46 C47 H47A 109.6 . . ?
C46 C47 H47B 109.6 . . ?
H47A C47 H47B 108.1 . . ?
C48 C47 C46 110.5(7) . . ?
C48 C47 H47A 109.6 . . ?
C48 C47 H47B 109.6 . . ?
C47 C48 H48A 109.0 . . ?
C47 C48 H48B 109.0 . . ?
H48A C48 H48B 107.8 . . ?
C49 C48 C47 113.0(8) . . ?
C49 C48 H48A 109.0 . . ?
C49 C48 H48B 109.0 . . ?
C48 C49 H49A 109.2 . . ?
C48 C49 H49B 109.2 . . ?
C48 C49 C50 111.9(8) . . ?
H49A C49 H49B 107.9 . . ?
C50 C49 H49A 109.2 . . ?
C50 C49 H49B 109.2 . . ?
C49 C50 H50A 109.7 . . ?
C49 C50 H50B 109.7 . . ?
H50A C50 H50B 108.2 . . ?
C51 C50 C49 110.1(7) . . ?
C51 C50 H50A 109.7 . . ?
C51 C50 H50B 109.7 . . ?
O8 C51 C46 108.5(6) . . ?
O8 C51 C50 113.3(6) . . ?
O8 C51 H51 108.3 . . ?
C46 C51 H51 108.3 . . ?
C50 C51 C46 110.0(6) . . ?
C50 C51 H51 108.3 . . ?
O5 C52 C53 114.8(7) . . ?
O5 C52 C61 124.6(7) . . ?
C61 C52 C53 120.6(7) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 C52 120.4(8) . . ?
C54 C53 H53 119.8 . . ?
C53 C54 H54 119.0 . . ?
C53 C54 C55 121.9(8) . . ?
C55 C54 H54 119.0 . . ?
C54 C55 C56 120.9(9) . . ?
C60 C55 C54 119.8(7) . . ?
C60 C55 C56 119.3(9) . . ?
C55 C56 H56 119.3 . . ?
C57 C56 C55 121.5(11) . . ?
C57 C56 H56 119.3 . . ?
C56 C57 H57 120.6 . . ?
C56 C57 C58 118.9(9) . . ?
C58 C57 H57 120.6 . . ?
C57 C58 H58 119.2 . . ?
C59 C58 C57 121.6(10) . . ?
C59 C58 H58 119.2 . . ?
C58 C59 H59 119.4 . . ?
C58 C59 C60 121.2(10) . . ?
C60 C59 H59 119.4 . . ?
C55 C60 C61 118.6(8) . . ?
C59 C60 C55 117.4(7) . . ?
C59 C60 C61 124.0(8) . . ?
C52 C61 C60 118.6(7) . . ?
C52 C61 C62 122.5(7) . . ?
C62 C61 C60 118.9(7) . . ?
N4 C62 C61 126.7(7) . . ?
N4 C62 H62 116.6 . . ?
C61 C62 H62 116.6 . . ?
N4 C63 H63 107.8 . . ?
N4 C63 C64 115.2(6) . . ?
N4 C63 C68 106.5(6) . . ?
C64 C63 H63 107.8 . . ?
C68 C63 H63 107.8 . . ?
C68 C63 C64 111.3(7) . . ?
C63 C64 H64A 109.8 . . ?
C63 C64 H64B 109.8 . . ?
C63 C64 C65 109.4(7) . . ?
H64A C64 H64B 108.2 . . ?
C65 C64 H64A 109.8 . . ?
C65 C64 H64B 109.8 . . ?
C64 C65 H65A 109.1 . . ?
C64 C65 H65B 109.1 . . ?
H65A C65 H65B 107.8 . . ?
C66 C65 C64 112.7(7) . . ?
C66 C65 H65A 109.1 . . ?
C66 C65 H65B 109.1 . . ?
C65 C66 H66A 109.1 . . ?
C65 C66 H66B 109.1 . . ?
C65 C66 C67 112.5(8) . . ?
H66A C66 H66B 107.8 . . ?
C67 C66 H66A 109.1 . . ?
C67 C66 H66B 109.1 . . ?
C66 C67 H67A 109.6 . . ?
C66 C67 H67B 109.6 . . ?
C66 C67 C68 110.4(7) . . ?
H67A C67 H67B 108.1 . . ?
C68 C67 H67A 109.6 . . ?
C68 C67 H67B 109.6 . . ?
O6 C68 C63 109.0(6) . . ?
O6 C68 C67 113.2(6) . . ?
O6 C68 H68 107.9 . . ?
C63 C68 C67 110.7(7) . . ?
C63 C68 H68 107.9 . . ?
C67 C68 H68 107.9 . . ?
O29 C69 C70 115.6(7) . . ?
O29 C69 C78 126.0(7) . . ?
C78 C69 C70 118.4(7) . . ?
C69 C70 H70 119.5 . . ?
C71 C70 C69 120.9(9) . . ?
C71 C70 H70 119.5 . . ?
C70 C71 H71 118.9 . . ?
C70 C71 C72 122.1(8) . . ?
C72 C71 H71 118.9 . . ?
C73 C72 C71 121.0(9) . . ?
C77 C72 C71 118.1(7) . . ?
C77 C72 C73 120.8(9) . . ?
C72 C73 H73 119.2 . . ?
C74 C73 C72 121.5(10) . . ?
C74 C73 H73 119.2 . . ?
C73 C74 H74 120.5 . . ?
C73 C74 C75 119.0(9) . . ?
C75 C74 H74 120.5 . . ?
C74 C75 H75 119.6 . . ?
C76 C75 C74 120.8(10) . . ?
C76 C75 H75 119.6 . . ?
C75 C76 H76 119.3 . . ?
C75 C76 C77 121.4(10) . . ?
C77 C76 H76 119.3 . . ?
C72 C77 C76 116.4(8) . . ?
C72 C77 C78 121.1(8) . . ?
C76 C77 C78 122.4(8) . . ?
C69 C78 C77 119.1(7) . . ?
C69 C78 C79 120.2(7) . . ?
C77 C78 C79 120.6(7) . . ?
N5 C79 C78 126.5(7) . . ?
N5 C79 H79 116.7 . . ?
C78 C79 H79 116.7 . . ?
N5 C80 H80 106.9 . . ?
N5 C80 C81 118.1(6) . . ?
N5 C80 C85 105.8(6) . . ?
C81 C80 H80 106.9 . . ?
C81 C80 C85 111.8(7) . . ?
C85 C80 H80 106.9 . . ?
C80 C81 H81A 109.6 . . ?
C80 C81 H81B 109.6 . . ?
H81A C81 H81B 108.1 . . ?
C82 C81 C80 110.3(7) . . ?
C82 C81 H81A 109.6 . . ?
C82 C81 H81B 109.6 . . ?
C81 C82 H82A 109.1 . . ?
C81 C82 H82B 109.1 . . ?
C81 C82 C83 112.5(8) . . ?
H82A C82 H82B 107.8 . . ?
C83 C82 H82A 109.1 . . ?
C83 C82 H82B 109.1 . . ?
C82 C83 H83A 109.5 . . ?
C82 C83 H83B 109.5 . . ?
C82 C83 C84 110.8(8) . . ?
H83A C83 H83B 108.1 . . ?
C84 C83 H83A 109.5 . . ?
C84 C83 H83B 109.5 . . ?
C83 C84 H84A 109.4 . . ?
C83 C84 H84B 109.4 . . ?
H84A C84 H84B 108.0 . . ?
C85 C84 C83 111.3(7) . . ?
C85 C84 H84A 109.4 . . ?
C85 C84 H84B 109.4 . . ?
O30 C85 C80 109.1(6) . . ?
O30 C85 C84 112.6(6) . . ?
O30 C85 H85 108.3 . . ?
C80 C85 H85 108.3 . . ?
C84 C85 C80 110.1(6) . . ?
C84 C85 H85 108.3 . . ?
O9 C86 C87 116.8(7) . . ?
O9 C86 C95 124.9(6) . . ?
C95 C86 C87 118.3(7) . . ?
C86 C87 H87 118.8 . . ?
C88 C87 C86 122.5(8) . . ?
C88 C87 H87 118.8 . . ?
C87 C88 H88 119.8 . . ?
C87 C88 C89 120.4(7) . . ?
C89 C88 H88 119.8 . . ?
C90 C89 C88 120.9(7) . . ?
C94 C89 C88 119.6(7) . . ?
C94 C89 C90 119.5(8) . . ?
C89 C90 H90 119.6 . . ?
C91 C90 C89 120.9(8) . . ?
C91 C90 H90 119.6 . . ?
C90 C91 H91 120.4 . . ?
C90 C91 C92 119.2(8) . . ?
C92 C91 H91 120.4 . . ?
C91 C92 H92 119.7 . . ?
C93 C92 C91 120.7(9) . . ?
C93 C92 H92 119.7 . . ?
C92 C93 H93 119.3 . . ?
C92 C93 C94 121.3(8) . . ?
C94 C93 H93 119.3 . . ?
C89 C94 C95 118.8(7) . . ?
C93 C94 C89 118.2(7) . . ?
C93 C94 C95 122.9(7) . . ?
C86 C95 C94 119.4(6) . . ?
C86 C95 C96 122.3(6) . . ?
C94 C95 C96 118.1(6) . . ?
N6 C96 C95 124.9(7) . . ?
N6 C96 H96 117.5 . . ?
C95 C96 H96 117.5 . . ?
N6 C97 H97 107.8 . . ?
N6 C97 C98 116.3(6) . . ?
N6 C97 C102 105.6(6) . . ?
C98 C97 H97 107.8 . . ?
C102 C97 H97 107.8 . . ?
C102 C97 C98 111.3(7) . . ?
C97 C98 H98A 109.9 . . ?
C97 C98 H98B 109.9 . . ?
C97 C98 C99 109.0(6) . . ?
H98A C98 H98B 108.3 . . ?
C99 C98 H98A 109.9 . . ?
C99 C98 H98B 109.9 . . ?
C98 C99 H99A 109.2 . . ?
C98 C99 H99B 109.2 . . ?
H99A C99 H99B 107.9 . . ?
C100 C99 C98 112.2(8) . . ?
C100 C99 H99A 109.2 . . ?
C100 C99 H99B 109.2 . . ?
C99 C100 H10A 109.3 . . ?
C99 C100 H10B 109.3 . . ?
C99 C100 C101 111.4(8) . . ?
H10A C100 H10B 108.0 . . ?
C101 C100 H10A 109.3 . . ?
C101 C100 H10B 109.3 . . ?
C100 C101 H10C 109.7 . . ?
C100 C101 H10D 109.7 . . ?
H10C C101 H10D 108.2 . . ?
C102 C101 C100 109.8(7) . . ?
C102 C101 H10C 109.7 . . ?
C102 C101 H10D 109.7 . . ?
O10 C102 C97 108.4(6) . . ?
O10 C102 C101 112.8(6) . . ?
O10 C102 H102 108.2 . . ?
C97 C102 H102 108.2 . . ?
C101 C102 C97 111.1(7) . . ?
C101 C102 H102 108.2 . . ?
N2 C108 C30 116.4(6) . . ?
N2 C108 C34 106.0(6) . . ?
N2 C108 H108 107.4 . . ?
C30 C108 C34 111.8(6) . . ?
C30 C108 H108 107.4 . . ?
C34 C108 H108 107.4 . . ?
O23 Cl1 O26 116.3(13) . . ?
O24 Cl1 O23 110.7(13) . . ?
O24 Cl1 O25 108.1(12) . . ?
O24 Cl1 O26 113.2(13) . . ?
O25 Cl1 O23 103.2(14) . . ?
O25 Cl1 O26 104.2(14) . . ?
C112 O38 H38 102.6 . . ?
O38 C112 H11B 109.5 . . ?
O38 C112 H11C 109.5 . . ?
O38 C112 H11D 109.5 . . ?
H11B C112 H11C 109.5 . . ?
H11B C112 H11D 109.5 . . ?
H11C C112 H11D 109.5 . . ?
C107 O32 H32 109.3 . . ?
O32 C107 H10E 109.5 . . ?
O32 C107 H10F 109.5 . . ?
O32 C107 H10G 109.5 . . ?
H10E C107 H10F 109.5 . . ?
H10E C107 H10G 109.5 . . ?
H10F C107 H10G 109.5 . . ?
C103 O27 H27 109.1 . . ?
O27 C103 H10H 109.5 . . ?
O27 C103 H10I 109.5 . . ?
O27 C103 H10J 109.5 . . ?
H10H C103 H10I 109.5 . . ?
H10H C103 H10J 109.5 . . ?
H10I C103 H10J 109.5 . . ?
H7WA O7W H7WB 104.6 . . ?
C109 O35 H35 104.3 . . ?
O35 C109 H10K 109.5 . . ?
O35 C109 H10L 109.5 . . ?
O35 C109 H10M 109.5 . . ?
H10K C109 H10L 109.5 . . ?
H10K C109 H10M 109.5 . . ?
H10L C109 H10M 109.5 . . ?
H8WA O8W H8WB 104.5 . . ?
H15C O15W H15D 49.3 . . ?
C104 O31 H31 109.3 . . ?
C105 O34 H34A 109.9 . . ?
O20 N8 O21 119.1(8) . . ?
O22 N8 O20 118.0(8) . . ?
O22 N8 O21 121.1(8) . . ?
O31 C104 H10N 109.5 . . ?
O31 C104 H10O 109.5 . . ?
O31 C104 H10P 109.5 . . ?
H10N C104 H10O 109.5 . . ?
H10N C104 H10P 109.5 . . ?
H10O C104 H10P 109.5 . . ?
O34 C105 H10Q 109.5 . . ?
O34 C105 H10R 109.5 . . ?
O34 C105 H10S 109.5 . . ?
H10Q C105 H10R 109.5 . . ?
H10Q C105 H10S 109.5 . . ?
H10R C105 H10S 109.5 . . ?
H9WA O9W H9WB 62.9 . . ?
H13C O13W H13D 107.1 . . ?
C110 O28 H28A 112.0 . . ?
O28 C110 H11E 109.5 . . ?
O28 C110 H11F 109.5 . . ?
O28 C110 H11G 109.5 . . ?
H11E C110 H11F 109.5 . . ?
H11E C110 H11G 109.5 . . ?
H11F C110 H11G 109.5 . . ?
H10W O10W H10X 104.6 . . ?
C106 O33 H33 108.8 . . ?
O33 C106 H10T 109.4 . . ?
O33 C106 H10U 111.3 . . ?
O33 C106 H10V 107.7 . . ?
H10T C106 H10U 109.5 . . ?
H10T C106 H10V 109.6 . . ?
H10U C106 H10V 109.4 . . ?
H11N O11W H11O 104.4 . . ?
C111 O37 H37 109.3 . . ?
O37 C111 H11H 109.5 . . ?
O37 C111 H11I 109.5 . . ?
O37 C111 H11J 109.5 . . ?
H11H C111 H11I 109.5 . . ?
H11H C111 H11J 109.5 . . ?
H11I C111 H11J 109.5 . . ?
H16C O16W H16D 104.4 . . ?
C118 O39 H39A 110.2 . . ?
O39 C118 H11K 109.5 . . ?
O39 C118 H11L 109.5 . . ?
O39 C118 H11M 109.5 . . ?
H11K C118 H11L 109.5 . . ?
H11K C118 H11M 109.5 . . ?
H11L C118 H11M 109.5 . . ?
O17 N7 O18 118.7(10) . . ?
O17 N7 O19 121.8(9) . . ?
O19 N7 O18 111.8(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 Cu1 O1 C1 -165.1(5) . . . . ?
Dy1 O2 C17 C12 172.0(4) . . . . ?
Dy1 O2 C17 C16 -64.1(8) . . . . ?
Dy1 O6 C68 C63 170.9(4) . . . . ?
Dy1 O6 C68 C67 -65.4(9) . . . . ?
Dy2 Cu3 O7 C35 -145.0(6) . . . . ?
Dy2 O8 C51 C46 166.6(4) . . . . ?
Dy2 O8 C51 C50 -70.9(8) . . . . ?
Dy2 O10 C102 C97 171.0(4) . . . . ?
Dy2 O10 C102 C101 -65.6(9) . . . . ?
Dy3 Cu2 O3 C18 -143.8(5) . . . . ?
Dy3 O4 C34 C33 -69.6(8) . . . . ?
Dy3 O4 C34 C108 168.1(4) . . . . ?
Dy3 O30 C85 C80 167.1(4) . . . . ?
Dy3 O30 C85 C84 -70.4(8) . . . . ?
Cu1 O1 C1 C2 -177.8(6) . . . . ?
Cu1 O1 C1 C10 -0.3(11) . . . . ?
Cu1 O2 C17 C12 44.3(6) . . . . ?
Cu1 O2 C17 C16 168.2(5) . . . . ?
Cu1 N1 C11 C10 0.5(11) . . . . ?
Cu1 N1 C12 C13 153.8(6) . . . . ?
Cu1 N1 C12 C17 27.9(7) . . . . ?
Cu2 O3 C18 C19 170.2(6) . . . . ?
Cu2 O3 C18 C27 -8.3(10) . . . . ?
Cu2 O4 C34 C33 162.8(5) . . . . ?
Cu2 O4 C34 C108 40.6(6) . . . . ?
Cu2 N2 C28 C27 8.9(11) . . . . ?
Cu2 N2 C108 C30 159.0(6) . . . . ?
Cu2 N2 C108 C34 33.9(6) . . . . ?
Cu3 O7 C35 C36 176.1(6) . . . . ?
Cu3 O7 C35 C44 -4.1(12) . . . . ?
Cu3 O8 C51 C46 42.2(6) . . . . ?
Cu3 O8 C51 C50 164.7(6) . . . . ?
Cu3 N3 C45 C44 8.4(13) . . . . ?
Cu3 N3 C46 C47 156.2(6) . . . . ?
Cu3 N3 C46 C51 32.3(7) . . . . ?
Cu4 O5 C52 C53 -177.1(6) . . . . ?
Cu4 O5 C52 C61 3.0(11) . . . . ?
Cu4 O6 C68 C63 45.2(7) . . . . ?
Cu4 O6 C68 C67 168.9(6) . . . . ?
Cu4 N4 C62 C61 6.4(12) . . . . ?
Cu4 N4 C63 C64 152.4(6) . . . . ?
Cu4 N4 C63 C68 28.3(7) . . . . ?
Cu5 O29 C69 C70 174.9(6) . . . . ?
Cu5 O29 C69 C78 -3.3(11) . . . . ?
Cu5 O30 C85 C80 40.5(6) . . . . ?
Cu5 O30 C85 C84 163.0(5) . . . . ?
Cu5 N5 C79 C78 7.2(11) . . . . ?
Cu5 N5 C80 C81 159.7(6) . . . . ?
Cu5 N5 C80 C85 33.7(7) . . . . ?
Cu6 O9 C86 C87 167.4(5) . . . . ?
Cu6 O9 C86 C95 -10.7(11) . . . . ?
Cu6 O10 C102 C97 47.5(6) . . . . ?
Cu6 O10 C102 C101 170.9(6) . . . . ?
Cu6 N6 C96 C95 -1.9(11) . . . . ?
Cu6 N6 C97 C98 152.2(6) . . . . ?
Cu6 N6 C97 C102 28.2(7) . . . . ?
O1 C1 C2 C3 178.2(10) . . . . ?
O1 C1 C10 C9 -176.3(7) . . . . ?
O1 C1 C10 C11 6.6(12) . . . . ?
O3 C18 C19 C20 179.8(8) . . . . ?
O3 C18 C27 C26 176.5(7) . . . . ?
O3 C18 C27 C28 -4.7(12) . . . . ?
O4 C34 C108 N2 -49.4(7) . . . . ?
O4 C34 C108 C30 -177.3(6) . . . . ?
O5 C52 C53 C54 -177.1(9) . . . . ?
O5 C52 C61 C60 177.4(7) . . . . ?
O5 C52 C61 C62 -2.5(12) . . . . ?
O7 C35 C36 C39 -178.4(9) . . . . ?
O7 C35 C44 C43 175.6(8) . . . . ?
O7 C35 C44 C45 -7.5(13) . . . . ?
O9 C86 C87 C88 177.7(8) . . . . ?
O9 C86 C95 C94 -170.9(7) . . . . ?
O9 C86 C95 C96 14.3(12) . . . . ?
O11 Cu1 O1 C1 179.4(6) . . . . ?
O12 Cu2 O3 C18 -155.7(6) . . . . ?
O13 Cu3 O7 C35 -157.0(7) . . . . ?
O29 C69 C70 C71 -177.1(8) . . . . ?
O29 C69 C78 C77 174.6(7) . . . . ?
O29 C69 C78 C79 -7.4(12) . . . . ?
N1 Cu1 O1 C1 -4.2(6) . . . . ?
N1 C12 C13 C14 -178.7(7) . . . . ?
N1 C12 C17 O2 -47.8(7) . . . . ?
N1 C12 C17 C16 -172.8(6) . . . . ?
N2 Cu2 O3 C18 15.6(6) . . . . ?
N3 Cu3 O7 C35 12.5(7) . . . . ?
N3 C46 C47 C48 -177.1(8) . . . . ?
N3 C46 C51 O8 -48.6(8) . . . . ?
N3 C46 C51 C50 -173.1(6) . . . . ?
N4 C63 C64 C65 -177.8(7) . . . . ?
N4 C63 C68 O6 -48.8(8) . . . . ?
N4 C63 C68 C67 -174.0(7) . . . . ?
N5 C80 C81 C82 -179.7(7) . . . . ?
N5 C80 C85 O30 -49.1(7) . . . . ?
N5 C80 C85 C84 -173.1(6) . . . . ?
N6 C97 C98 C99 -176.9(8) . . . . ?
N6 C97 C102 O10 -50.1(7) . . . . ?
N6 C97 C102 C101 -174.6(7) . . . . ?
C1 C2 C3 C4 -0.5(18) . . . . ?
C1 C10 C11 N1 -6.7(12) . . . . ?
C2 C1 C10 C9 1.2(11) . . . . ?
C2 C1 C10 C11 -176.0(8) . . . . ?
C2 C3 C4 C5 -178.2(11) . . . . ?
C2 C3 C4 C9 -1.1(16) . . . . ?
C3 C4 C5 C6 178.8(11) . . . . ?
C3 C4 C9 C8 -176.6(9) . . . . ?
C3 C4 C9 C10 2.7(13) . . . . ?
C4 C5 C6 C7 -2.5(17) . . . . ?
C4 C9 C10 C1 -2.8(11) . . . . ?
C4 C9 C10 C11 174.4(7) . . . . ?
C5 C4 C9 C8 0.6(13) . . . . ?
C5 C4 C9 C10 179.9(8) . . . . ?
C5 C6 C7 C8 1.1(17) . . . . ?
C6 C7 C8 C9 1.2(15) . . . . ?
C7 C8 C9 C4 -2.0(13) . . . . ?
C7 C8 C9 C10 178.8(8) . . . . ?
C8 C9 C10 C1 176.4(7) . . . . ?
C8 C9 C10 C11 -6.3(11) . . . . ?
C9 C4 C5 C6 1.7(16) . . . . ?
C9 C10 C11 N1 176.1(7) . . . . ?
C10 C1 C2 C3 0.5(15) . . . . ?
C11 N1 C12 C13 -26.9(11) . . . . ?
C11 N1 C12 C17 -152.8(7) . . . . ?
C12 N1 C11 C10 -178.7(7) . . . . ?
C12 C13 C14 C15 56.3(11) . . . . ?
C13 C12 C17 O2 -177.9(6) . . . . ?
C13 C12 C17 C16 57.1(8) . . . . ?
C13 C14 C15 C16 -58.1(11) . . . . ?
C14 C15 C16 C17 57.2(10) . . . . ?
C15 C16 C17 O2 -179.1(7) . . . . ?
C15 C16 C17 C12 -56.5(9) . . . . ?
C17 C12 C13 C14 -55.3(9) . . . . ?
C18 C19 C20 C21 4.6(14) . . . . ?
C18 C27 C28 N2 4.2(12) . . . . ?
C19 C18 C27 C26 -2.0(11) . . . . ?
C19 C18 C27 C28 176.9(7) . . . . ?
C19 C20 C21 C22 175.4(9) . . . . ?
C19 C20 C21 C26 -3.9(13) . . . . ?
C20 C21 C22 C23 180.0(9) . . . . ?
C20 C21 C26 C25 179.2(8) . . . . ?
C20 C21 C26 C27 0.3(11) . . . . ?
C21 C22 C23 C24 0.9(14) . . . . ?
C21 C26 C27 C18 2.5(11) . . . . ?
C21 C26 C27 C28 -176.3(7) . . . . ?
C22 C21 C26 C25 0.0(11) . . . . ?
C22 C21 C26 C27 -179.0(7) . . . . ?
C22 C23 C24 C25 -0.1(15) . . . . ?
C23 C24 C25 C26 -0.7(15) . . . . ?
C24 C25 C26 C21 0.8(13) . . . . ?
C24 C25 C26 C27 179.6(9) . . . . ?
C25 C26 C27 C18 -176.3(8) . . . . ?
C25 C26 C27 C28 4.8(12) . . . . ?
C26 C21 C22 C23 -0.8(13) . . . . ?
C26 C27 C28 N2 -176.9(7) . . . . ?
C27 C18 C19 C20 -1.6(13) . . . . ?
C28 N2 C108 C30 -14.0(11) . . . . ?
C28 N2 C108 C34 -139.1(7) . . . . ?
C29 C38 C39 C36 179.7(9) . . . . ?
C29 C38 C43 C42 -3.9(12) . . . . ?
C29 C38 C43 C44 177.3(8) . . . . ?
C29 C40 C41 C42 -3.0(16) . . . . ?
C30 C31 C32 C33 -55.2(11) . . . . ?
C31 C30 C108 N2 179.8(7) . . . . ?
C31 C30 C108 C34 -58.1(10) . . . . ?
C31 C32 C33 C34 55.1(10) . . . . ?
C32 C33 C34 O4 -178.5(7) . . . . ?
C32 C33 C34 C108 -56.4(9) . . . . ?
C33 C34 C108 N2 -173.1(6) . . . . ?
C33 C34 C108 C30 59.0(8) . . . . ?
C35 C36 C39 C38 1.3(15) . . . . ?
C35 C44 C45 N3 5.2(14) . . . . ?
C36 C35 C44 C43 -4.6(12) . . . . ?
C36 C35 C44 C45 172.4(8) . . . . ?
C38 C29 C40 C41 1.7(15) . . . . ?
C38 C43 C44 C35 4.6(12) . . . . ?
C38 C43 C44 C45 -172.4(8) . . . . ?
C39 C38 C43 C42 177.2(8) . . . . ?
C39 C38 C43 C44 -1.7(13) . . . . ?
C40 C29 C38 C39 -179.2(9) . . . . ?
C40 C29 C38 C43 1.8(14) . . . . ?
C40 C41 C42 C43 0.8(16) . . . . ?
C41 C42 C43 C38 2.6(14) . . . . ?
C41 C42 C43 C44 -178.6(9) . . . . ?
C42 C43 C44 C35 -174.2(8) . . . . ?
C42 C43 C44 C45 8.8(12) . . . . ?
C43 C38 C39 C36 -1.3(14) . . . . ?
C43 C44 C45 N3 -177.9(8) . . . . ?
C44 C35 C36 C39 1.7(14) . . . . ?
C45 N3 C46 C47 -16.8(12) . . . . ?
C45 N3 C46 C51 -140.7(8) . . . . ?
C46 N3 C45 C44 -179.6(8) . . . . ?
C46 C47 C48 C49 53.9(12) . . . . ?
C47 C46 C51 O8 -177.1(7) . . . . ?
C47 C46 C51 C50 58.5(9) . . . . ?
C47 C48 C49 C50 -54.3(12) . . . . ?
C48 C49 C50 C51 55.6(11) . . . . ?
C49 C50 C51 O8 -179.3(7) . . . . ?
C49 C50 C51 C46 -57.7(9) . . . . ?
C51 C46 C47 C48 -55.8(10) . . . . ?
C52 C53 C54 C55 -1.1(15) . . . . ?
C52 C61 C62 N4 -2.5(13) . . . . ?
C53 C52 C61 C60 -2.6(11) . . . . ?
C53 C52 C61 C62 177.6(8) . . . . ?
C53 C54 C55 C56 178.5(10) . . . . ?
C53 C54 C55 C60 -0.9(15) . . . . ?
C54 C55 C56 C57 -179.0(11) . . . . ?
C54 C55 C60 C59 -179.0(9) . . . . ?
C54 C55 C60 C61 1.0(13) . . . . ?
C55 C56 C57 C58 -1.9(18) . . . . ?
C55 C60 C61 C52 0.7(11) . . . . ?
C55 C60 C61 C62 -179.5(7) . . . . ?
C56 C55 C60 C59 1.6(13) . . . . ?
C56 C55 C60 C61 -178.3(9) . . . . ?
C56 C57 C58 C59 1.6(17) . . . . ?
C57 C58 C59 C60 0.5(15) . . . . ?
C58 C59 C60 C55 -2.1(13) . . . . ?
C58 C59 C60 C61 177.9(9) . . . . ?
C59 C60 C61 C52 -179.3(8) . . . . ?
C59 C60 C61 C62 0.5(12) . . . . ?
C60 C55 C56 C57 0.3(16) . . . . ?
C60 C61 C62 N4 177.7(8) . . . . ?
C61 C52 C53 C54 2.8(13) . . . . ?
C62 N4 C63 C64 -24.2(11) . . . . ?
C62 N4 C63 C68 -148.3(7) . . . . ?
C63 N4 C62 C61 -177.6(7) . . . . ?
C63 C64 C65 C66 52.9(10) . . . . ?
C64 C63 C68 O6 -175.2(6) . . . . ?
C64 C63 C68 C67 59.6(9) . . . . ?
C64 C65 C66 C67 -52.8(11) . . . . ?
C65 C66 C67 C68 54.0(11) . . . . ?
C66 C67 C68 O6 -180.0(7) . . . . ?
C66 C67 C68 C63 -57.2(10) . . . . ?
C68 C63 C64 C65 -56.3(9) . . . . ?
C69 C70 C71 C72 2.2(14) . . . . ?
C69 C78 C79 N5 5.3(12) . . . . ?
C70 C69 C78 C77 -3.5(11) . . . . ?
C70 C69 C78 C79 174.5(8) . . . . ?
C70 C71 C72 C73 174.0(9) . . . . ?
C70 C71 C72 C77 -3.3(13) . . . . ?
C71 C72 C73 C74 -178.4(9) . . . . ?
C71 C72 C77 C76 178.0(8) . . . . ?
C71 C72 C77 C78 0.9(12) . . . . ?
C72 C73 C74 C75 0.4(14) . . . . ?
C72 C77 C78 C69 2.4(11) . . . . ?
C72 C77 C78 C79 -175.5(7) . . . . ?
C73 C72 C77 C76 0.7(12) . . . . ?
C73 C72 C77 C78 -176.4(8) . . . . ?
C73 C74 C75 C76 0.7(15) . . . . ?
C74 C75 C76 C77 -1.1(15) . . . . ?
C75 C76 C77 C72 0.4(13) . . . . ?
C75 C76 C77 C78 177.5(8) . . . . ?
C76 C77 C78 C69 -174.5(8) . . . . ?
C76 C77 C78 C79 7.6(12) . . . . ?
C77 C72 C73 C74 -1.1(14) . . . . ?
C77 C78 C79 N5 -176.8(7) . . . . ?
C78 C69 C70 C71 1.2(13) . . . . ?
C79 N5 C80 C81 -14.9(11) . . . . ?
C79 N5 C80 C85 -141.0(7) . . . . ?
C80 N5 C79 C78 -179.0(7) . . . . ?
C80 C81 C82 C83 55.6(10) . . . . ?
C81 C80 C85 O30 -178.9(6) . . . . ?
C81 C80 C85 C84 57.1(9) . . . . ?
C81 C82 C83 C84 -54.6(11) . . . . ?
C82 C83 C84 C85 54.4(11) . . . . ?
C83 C84 C85 O30 -177.4(7) . . . . ?
C83 C84 C85 C80 -55.5(9) . . . . ?
C85 C80 C81 C82 -56.7(9) . . . . ?
C86 C87 C88 C89 -3.4(13) . . . . ?
C86 C95 C96 N6 -7.6(12) . . . . ?
C87 C86 C95 C94 11.0(11) . . . . ?
C87 C86 C95 C96 -163.7(7) . . . . ?
C87 C88 C89 C90 -175.5(8) . . . . ?
C87 C88 C89 C94 3.7(12) . . . . ?
C88 C89 C90 C91 177.6(8) . . . . ?
C88 C89 C94 C93 -174.5(7) . . . . ?
C88 C89 C94 C95 3.3(11) . . . . ?
C89 C90 C91 C92 -1.7(14) . . . . ?
C89 C94 C95 C86 -10.7(11) . . . . ?
C89 C94 C95 C96 164.3(7) . . . . ?
C90 C89 C94 C93 4.8(11) . . . . ?
C90 C89 C94 C95 -177.4(7) . . . . ?
C90 C91 C92 C93 1.9(13) . . . . ?
C91 C92 C93 C94 1.5(13) . . . . ?
C92 C93 C94 C89 -4.8(11) . . . . ?
C92 C93 C94 C95 177.5(7) . . . . ?
C93 C94 C95 C86 166.9(7) . . . . ?
C93 C94 C95 C96 -18.1(11) . . . . ?
C94 C89 C90 C91 -1.6(13) . . . . ?
C94 C95 C96 N6 177.6(7) . . . . ?
C95 C86 C87 C88 -4.1(13) . . . . ?
C96 N6 C97 C98 -26.2(11) . . . . ?
C96 N6 C97 C102 -150.2(7) . . . . ?
C97 N6 C96 C95 176.2(7) . . . . ?
C97 C98 C99 C100 55.5(12) . . . . ?
C98 C97 C102 O10 -177.2(6) . . . . ?
C98 C97 C102 C101 58.4(9) . . . . ?
C98 C99 C100 C101 -56.4(12) . . . . ?
C99 C100 C101 C102 56.3(12) . . . . ?
C100 C101 C102 O10 -178.9(8) . . . . ?
C100 C101 C102 C97 -57.0(11) . . . . ?
C102 C97 C98 C99 -56.0(10) . . . . ?
C108 N2 C28 C27 -179.1(7) . . . . ?
C108 C30 C31 C32 55.9(11) . . . . ?

_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 1.217
_oxdiff_exptl_absorpt_empirical_full_min 0.839
_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_s
_database_code_depnum_ccdc_archive 'CCDC 2222614'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-11-28 deposited with the CCDC.	2023-05-15 downloaded from the CCDC.
;
_audit_creation_date             2022-11-19
_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         
'C102 H120 Cu6 Dy3 N6 O24, Cl O4, 5.5(H2 O), 8(C H4 O), 2(N O3)'
_chemical_formula_sum            'C110 H163 Cl Cu6 Dy3 N8 O47.50'
_chemical_formula_weight         3261.66
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOClCuDy
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   17.6273(2)
_cell_length_b                   22.5554(2)
_cell_length_c                   35.9679(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14300.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    170336
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      30.2330
_cell_measurement_theta_min      1.4170
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.518
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66307
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6592
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.922
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            285418
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.889
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.775
_diffrn_reflns_theta_min         1.572
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -34.00   8.00   0.50    3.00    --    5.00  45.00 120.00   84
  2  ω    -49.00 -24.00   0.50    3.00    --    5.00  45.00 150.00   50
  3  ω    -65.00 -39.00   0.50    3.00    --    5.00  45.00 173.04   52
  4  ω    -38.00 -13.00   0.50    3.00    --    5.00  45.00 156.92   50
  5  ω     68.00  94.00   0.50    3.00    --    5.00  45.00  30.00   52
  6  ω     69.00  94.00   0.50    3.00    --    5.00  45.00  60.00   50
  7  ω     43.00  69.00   0.50    3.00    --    5.00  45.00 120.00   52
  8  ω    -15.00  11.00   0.50    3.00    --    5.00  45.00  90.00   52
  9  ω     60.00  94.00   0.50    3.00    --    5.00  45.00  90.00   68
 10  ω   -102.00  -1.00   0.50    3.00    --  -14.80  45.00 150.00  202
 11  ω     24.00  50.00   0.50    3.00    --  -14.80  45.00 112.01   52
 12  ω   -104.00  56.00   0.50    3.00    --  -14.80  45.00 -19.59  320
 13  ω   -104.00 -25.00   0.50    3.00    --  -14.80  45.00 112.01  158
 14  ω   -104.00 -79.00   0.50    3.00    --  -14.80  45.00 -14.83   50
 15  ω    -31.00  74.00   0.50    3.00    --  -14.80  45.00 179.81  210
 16  ω   -104.00 -55.00   0.50    3.00    --  -14.80  45.00 179.81   98
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0223120000
_diffrn_orient_matrix_UB_12      -0.0062158000
_diffrn_orient_matrix_UB_13      0.0159523000
_diffrn_orient_matrix_UB_21      -0.0121581000
_diffrn_orient_matrix_UB_22      0.0299683000
_diffrn_orient_matrix_UB_23      0.0004885000
_diffrn_orient_matrix_UB_31      -0.0312285000
_diffrn_orient_matrix_UB_32      -0.0072173000
_diffrn_orient_matrix_UB_33      -0.0115669000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.809
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.851
_reflns_number_gt                36891
_reflns_number_total             39750
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.648
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.128
_refine_ls_abs_structure_details 
;
 Flack x determined using 15608 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.008(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1621
_refine_ls_number_reflns         39750
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0377
_refine_ls_restrained_S_all      1.136
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0464P)²+25.9571P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0973
_refine_ls_wR_factor_ref         0.1002
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H37 of O37, H11 of O11, H13 of O13, H12 of O12, H16 of O16,
   H14 of O14, H15 of O15, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H35 of O35, H31 of O31, H27 of O27, H34A of O34, H38
  of O38, H32 of O32, H28A of O28, H33 of O33, All O(H,H) groups
2. Restrained distances
 O28-C110 = O31-C104 = O35-C109 = C111-O37 = O32-C107 = C112-O38
 1.42 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C109) \\sim Ueq, Uanis(O14W) \\sim Ueq, Uanis(O7W) \\sim Ueq, Uanis(O11W)
\\sim Ueq, Uanis(C112) \\sim Ueq, Uanis(O12W) \\sim Ueq, Uanis(O37) \\sim Ueq,
Uanis(O38) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
Uanis(O15W) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N7) = Uanis(N8)
4. Others
 Fixed Sof: O7W(0.5) H7WA(0.5) H7WB(0.5) C111(0.5) H11B(0.5) H11C(0.5)
 H11D(0.5) C112(0.5) H11E(0.5) H11F(0.5) H11G(0.5) O14W(0.5) H14C(0.5)
 H14D(0.5) O15W(0.5) H15C(0.5) H15D(0.5) O16W(0.5) H16C(0.5) H16D(0.5)
 O10W(0.5) H10W(0.5) H10X(0.5) O13W(0.5) H13C(0.5) H13D(0.5) O9W(0.5) H9WA(0.5)
 H9WB(0.5) O37(0.5) H37(0.5) O38(0.5) H38(0.5) O12W(0.5) H12B(0.5) H12C(0.5)
 O8W(0.5) H8WA(0.5) H8WB(0.5)
5.a Riding coordinates:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB), O5W(H5WA,
 H5WB), O6W(H6WA,H6WB), O11(H11), O12(H12), O13(H13), O14(H14), O15(H15),
 O16(H16), O7W(H7WA,H7WB), O11W(H11K,H11L), O14W(H14C,H14D), O15W(H15C,H15D),
 O35(H35), O27(H27), O28(H28A), O31(H31), O32(H32), O33(H33), C106(H10Q,H10R,
 H10S), O34(H34A), O16W(H16C,H16D), O10W(H10W,H10X), O13W(H13C,H13D), O9W(H9WA,
 H9WB), O37(H37), O38(H38), O12W(H12B,H12C), O8W(H8WA,H8WB)
5.b Ternary CH refined with riding coordinates:
 C12(H12A), C17(H17), C34(H34), C46(H46), C51(H51), C63(H63), C68(H68),
 C80(H80), C85(H85), C97(H97), C102(H102), C108(H108)
5.c Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C30(H30A,
 H30B), C31(H31A,H31B), C32(H32A,H32B), C33(H33A,H33B), C47(H47A,H47B),
 C48(H48A,H48B), C49(H49A,H49B), C50(H50A,H50B), C64(H64A,H64B), C65(H65A,H65B),
  C66(H66A,H66B), C67(H67A,H67B), C81(H81A,H81B), C82(H82A,H82B), C83(H83A,
 H83B), C84(H84A,H84B), C98(H98A,H98B), C99(H99A,H99B), C100(H10A,H10B),
 C101(H10C,H10D)
5.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C7(H7), C8(H8), C11(H11A), C19(H19), C20(H20),
  C22(H22), C23(H23), C24(H24), C25(H25), C28(H28), C36(H36), C39(H39),
 C29(H29), C40(H40), C41(H41), C42(H42), C45(H45), C53(H53), C54(H54), C56(H56),
  C57(H57), C58(H58), C59(H59), C62(H62), C70(H70), C71(H71), C73(H73),
 C74(H74), C75(H75), C76(H76), C79(H79), C87(H87), C88(H88), C90(H90), C91(H91),
  C92(H92), C93(H93), C96(H96)
5.e Idealised Me refined as rotating group:
 C111(H11B,H11C,H11D), C112(H11E,H11F,H11G), C103(H10H,H10I,H10J), C110(H11H,
 H11I,H11J), C104(H10K,H10L,H10M), C107(H10N,H10O,H10P), C105(H10T,H10U,H10V),
 C109(H10E,H10F,H10G)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy -0.34475(2) 1.07322(2) 0.65588(2) 0.02303(6) Uani 1 1 d . . . . .
Dy2 Dy -0.13038(2) 1.09827(2) 0.64053(2) 0.02331(6) Uani 1 1 d . . . . .
Dy3 Dy -0.23636(2) 0.97876(2) 0.58418(2) 0.02305(6) Uani 1 1 d . . . . .
Cu1 Cu -0.39166(4) 0.92977(3) 0.64080(2) 0.02617(14) Uani 1 1 d . . . . .
Cu2 Cu -0.42094(4) 1.01086(3) 0.57062(2) 0.02494(14) Uani 1 1 d . . . . .
Cu3 Cu -0.20553(5) 1.11986(4) 0.72558(2) 0.02786(15) Uani 1 1 d . . . . .
Cu4 Cu -0.26816(5) 1.21077(3) 0.66553(2) 0.02687(15) Uani 1 1 d . . . . .
Cu5 Cu -0.05239(4) 0.95911(4) 0.60729(2) 0.02729(15) Uani 1 1 d . . . . .
Cu6 Cu -0.07925(4) 1.06461(3) 0.55249(2) 0.02519(14) Uani 1 1 d . . . . .
O1 O -0.3382(3) 0.8571(2) 0.64581(14) 0.0337(10) Uani 1 1 d . . . . .
O1W O -0.3741(3) 1.0332(2) 0.71452(12) 0.0333(10) Uani 1 1 d . . . . .
H1WA H -0.355656 1.055470 0.731722 0.050 Uiso 1 1 d R U . . .
H1WB H -0.350636 1.000030 0.717252 0.050 Uiso 1 1 d R U . . .
O2 O -0.4446(2) 1.00567(18) 0.64252(13) 0.0261(8) Uani 1 1 d . . . . .
O2W O -0.4372(3) 1.13716(19) 0.63009(12) 0.0291(9) Uani 1 1 d . . . . .
H2WA H -0.416768 1.170744 0.625022 0.044 Uiso 1 1 d R U . . .
H2WB H -0.452308 1.124004 0.609092 0.044 Uiso 1 1 d R U . . .
O3 O -0.4818(3) 1.08023(19) 0.56926(12) 0.0293(9) Uani 1 1 d . . . . .
O3W O -0.0425(3) 1.0590(2) 0.68359(13) 0.0346(10) Uani 1 1 d . . . . .
H3WA H -0.062459 1.058858 0.705110 0.052 Uiso 1 1 d R U . . .
H3WB H -0.034749 1.022668 0.678710 0.052 Uiso 1 1 d R U . . .
O4 O -0.3567(2) 0.93971(18) 0.57069(12) 0.0262(8) Uani 1 1 d . . . . .
O4W O -0.0989(3) 1.1889(2) 0.61177(13) 0.0332(10) Uani 1 1 d . . . . .
H4WA H -0.106610 1.186405 0.588305 0.050 Uiso 1 1 d R U . . .
H4WB H -0.130060 1.215915 0.618995 0.050 Uiso 1 1 d R U . . .
O5 O -0.2068(3) 1.26284(19) 0.63683(13) 0.0324(10) Uani 1 1 d . . . . .
O5W O -0.2190(3) 0.8795(2) 0.60315(15) 0.0362(11) Uani 1 1 d . . . . .
H5WA H -0.258712 0.866926 0.614639 0.054 Uiso 1 1 d R U . . .
H5WB H -0.183202 0.876976 0.619319 0.054 Uiso 1 1 d R U . . .
O6 O -0.3354(3) 1.1585(2) 0.69338(12) 0.0291(9) Uani 1 1 d . . . . .
O6W O -0.2512(3) 1.0020(2) 0.52007(12) 0.0321(10) Uani 1 1 d . . . . .
H6WA H -0.296514 1.015393 0.516303 0.048 Uiso 1 1 d R U . . .
H6WB H -0.222083 1.031373 0.514423 0.048 Uiso 1 1 d R U . . .
O7 O -0.2683(3) 1.0774(2) 0.75952(12) 0.0366(11) Uani 1 1 d . . . . .
O8 O -0.1406(3) 1.1638(2) 0.69109(12) 0.0302(9) Uani 1 1 d . . . . .
O9 O -0.1295(3) 1.0714(2) 0.50587(11) 0.0284(8) Uani 1 1 d . . . . .
O10 O -0.0291(2) 1.0706(2) 0.60086(11) 0.0276(8) Uani 1 1 d . . . . .
O11 O -0.2982(2) 0.97555(19) 0.64270(12) 0.0249(8) Uani 1 1 d . . . . .
H11 H -0.264216 0.959836 0.659179 0.030 Uiso 1 1 d R U . . .
O12 O -0.3339(2) 1.05330(18) 0.59112(11) 0.0239(8) Uani 1 1 d . . . . .
H12 H -0.326436 1.089316 0.580178 0.029 Uiso 1 1 d R U . . .
O13 O -0.2235(2) 1.06479(19) 0.68451(11) 0.0249(8) Uani 1 1 d . . . . .
H13 H -0.220861 1.026253 0.692061 0.030 Uiso 1 1 d R U . . .
O14 O -0.2523(2) 1.14294(18) 0.63269(11) 0.0237(8) Uani 1 1 d . . . . .
H14 H -0.256584 1.153827 0.608388 0.028 Uiso 1 1 d R U . . .
O15 O -0.1410(2) 0.99390(19) 0.63143(11) 0.0255(8) Uani 1 1 d . . . . .
H15 H -0.149391 0.977418 0.654199 0.031 Uiso 1 1 d R U . . .
O16 O -0.1746(2) 1.07171(18) 0.57962(11) 0.0226(8) Uani 1 1 d . . . . .
H16 H -0.207870 1.097742 0.568958 0.027 Uiso 1 1 d R U . . .
O29 O 0.0046(3) 0.9581(2) 0.65232(13) 0.0354(10) Uani 1 1 d . . . . .
O30 O -0.1138(2) 0.9558(2) 0.56183(12) 0.0276(9) Uani 1 1 d . . . . .
N1 N -0.4890(3) 0.8927(2) 0.64134(15) 0.0268(10) Uani 1 1 d . . . . .
N2 N -0.4948(3) 0.9648(2) 0.54387(15) 0.0286(11) Uani 1 1 d . . . . .
N3 N -0.1662(3) 1.1708(3) 0.76365(15) 0.0312(11) Uani 1 1 d . . . . .
N4 N -0.3040(3) 1.2735(2) 0.69718(15) 0.0299(11) Uani 1 1 d . . . . .
N5 N 0.0199(3) 0.9122(2) 0.58111(15) 0.0287(11) Uani 1 1 d . . . . .
N6 N 0.0204(3) 1.0620(2) 0.53116(15) 0.0279(10) Uani 1 1 d . . . . .
C1 C -0.3680(4) 0.8032(3) 0.6458(2) 0.0339(14) Uani 1 1 d . . . . .
C2 C -0.3151(5) 0.7556(3) 0.6481(3) 0.053(2) Uani 1 1 d . . . . .
H2 H -0.262437 0.763963 0.650085 0.063 Uiso 1 1 calc R U . . .
C3 C -0.3389(5) 0.6991(3) 0.6476(3) 0.053(2) Uani 1 1 d . . . . .
H3 H -0.302645 0.668492 0.651193 0.064 Uiso 1 1 calc R U . . .
C4 C -0.4164(5) 0.6830(3) 0.6420(3) 0.0440(17) Uani 1 1 d . . . . .
C5 C -0.4379(5) 0.6238(3) 0.6400(3) 0.055(2) Uani 1 1 d . . . . .
H5 H -0.400459 0.593713 0.642027 0.066 Uiso 1 1 calc R U . . .
C6 C -0.5130(6) 0.6081(4) 0.6350(3) 0.062(3) Uani 1 1 d . . . . .
H6 H -0.527947 0.567633 0.634104 0.074 Uiso 1 1 calc R U . . .
C7 C -0.5663(5) 0.6535(4) 0.6313(3) 0.053(2) Uani 1 1 d . . . . .
H7 H -0.618238 0.643715 0.627644 0.063 Uiso 1 1 calc R U . . .
C8 C -0.5451(5) 0.7122(3) 0.6327(2) 0.0403(16) Uani 1 1 d . . . . .
H8 H -0.582560 0.741962 0.629192 0.048 Uiso 1 1 calc R U . . .
C9 C -0.4694(4) 0.7296(3) 0.63935(19) 0.0323(13) Uani 1 1 d . . . . .
C10 C -0.4457(4) 0.7906(3) 0.64197(19) 0.0300(12) Uani 1 1 d . . . . .
C11 C -0.5022(4) 0.8372(3) 0.64171(17) 0.0286(12) Uani 1 1 d . . . . .
H11A H -0.553921 0.825271 0.641822 0.034 Uiso 1 1 calc R U . . .
C12 C -0.5504(4) 0.9383(3) 0.63987(18) 0.0288(12) Uani 1 1 d . . . . .
H12A H -0.559173 0.947818 0.613060 0.035 Uiso 1 1 calc R U . . .
C13 C -0.6270(4) 0.9210(3) 0.6565(2) 0.0412(16) Uani 1 1 d . . . . .
H13A H -0.620722 0.909864 0.682903 0.049 Uiso 1 1 calc R U . . .
H13B H -0.648110 0.886485 0.642942 0.049 Uiso 1 1 calc R U . . .
C14 C -0.6810(4) 0.9740(4) 0.6532(3) 0.049(2) Uani 1 1 d . . . . .
H14A H -0.691610 0.981577 0.626549 0.058 Uiso 1 1 calc R U . . .
H14B H -0.729656 0.964047 0.665420 0.058 Uiso 1 1 calc R U . . .
C15 C -0.6486(4) 1.0301(4) 0.6707(3) 0.0462(18) Uani 1 1 d . . . . .
H15A H -0.642640 1.023965 0.697819 0.055 Uiso 1 1 calc R U . . .
H15B H -0.684433 1.063318 0.666910 0.055 Uiso 1 1 calc R U . . .
C16 C -0.5714(4) 1.0460(3) 0.6536(3) 0.0406(17) Uani 1 1 d . . . . .
H16A H -0.577664 1.055398 0.626912 0.049 Uiso 1 1 calc R U . . .
H16B H -0.550283 1.081437 0.666192 0.049 Uiso 1 1 calc R U . . .
C17 C -0.5174(3) 0.9941(3) 0.65813(18) 0.0272(12) Uani 1 1 d . . . . .
H17 H -0.510866 0.986134 0.685293 0.033 Uiso 1 1 calc R U . . .
C18 C -0.5410(4) 1.0897(3) 0.54780(17) 0.0275(12) Uani 1 1 d . . . . .
C19 C -0.5710(4) 1.1486(3) 0.5477(2) 0.0357(14) Uani 1 1 d . . . . .
H19 H -0.548152 1.177843 0.563100 0.043 Uiso 1 1 calc R U . . .
C20 C -0.6306(4) 1.1637(3) 0.5265(2) 0.0406(16) Uani 1 1 d . . . . .
H20 H -0.650095 1.202866 0.527700 0.049 Uiso 1 1 calc R U . . .
C21 C -0.6651(4) 1.1217(3) 0.5020(2) 0.0341(14) Uani 1 1 d . . . . .
C22 C -0.7263(4) 1.1390(4) 0.4788(2) 0.0452(18) Uani 1 1 d . . . . .
H22 H -0.744805 1.178479 0.479950 0.054 Uiso 1 1 calc R U . . .
C23 C -0.7590(4) 1.0996(4) 0.4550(2) 0.0476(18) Uani 1 1 d . . . . .
H23 H -0.799843 1.111623 0.439456 0.057 Uiso 1 1 calc R U . . .
C24 C -0.7321(5) 1.0419(4) 0.4535(2) 0.0467(18) Uani 1 1 d . . . . .
H24 H -0.754456 1.014702 0.436571 0.056 Uiso 1 1 calc R U . . .
C25 C -0.6737(4) 1.0234(4) 0.4760(2) 0.0420(17) Uani 1 1 d . . . . .
H25 H -0.656953 0.983388 0.474641 0.050 Uiso 1 1 calc R U . . .
C26 C -0.6383(4) 1.0627(3) 0.50103(18) 0.0313(13) Uani 1 1 d . . . . .
C27 C -0.5757(4) 1.0464(3) 0.52515(18) 0.0295(12) Uani 1 1 d . . . . .
C28 C -0.5501(4) 0.9852(3) 0.52548(17) 0.0295(12) Uani 1 1 d . . . . .
H28 H -0.577558 0.957943 0.510496 0.035 Uiso 1 1 calc R U . . .
C30 C -0.5058(5) 0.8640(3) 0.5130(2) 0.0434(18) Uani 1 1 d . . . . .
H30A H -0.490103 0.879530 0.488383 0.052 Uiso 1 1 calc R U . . .
H30B H -0.561849 0.864832 0.514267 0.052 Uiso 1 1 calc R U . . .
C31 C -0.4772(6) 0.8005(3) 0.5178(3) 0.054(2) Uani 1 1 d . . . . .
H31A H -0.495863 0.784464 0.541721 0.065 Uiso 1 1 calc R U . . .
H31B H -0.497626 0.775442 0.497548 0.065 Uiso 1 1 calc R U . . .
C32 C -0.3911(5) 0.7982(3) 0.5172(2) 0.0449(18) Uani 1 1 d . . . . .
H32A H -0.372879 0.810746 0.492344 0.054 Uiso 1 1 calc R U . . .
H32B H -0.374383 0.756812 0.521257 0.054 Uiso 1 1 calc R U . . .
C33 C -0.3558(4) 0.8378(3) 0.5467(2) 0.0346(14) Uani 1 1 d . . . . .
H33A H -0.368739 0.822568 0.571691 0.041 Uiso 1 1 calc R U . . .
H33B H -0.299931 0.837460 0.544067 0.041 Uiso 1 1 calc R U . . .
C34 C -0.3850(4) 0.9007(3) 0.54254(17) 0.0286(12) Uani 1 1 d . . . . .
H34 H -0.368055 0.916086 0.517833 0.034 Uiso 1 1 calc R U . . .
C35 C -0.2630(4) 1.0783(3) 0.79594(18) 0.0352(14) Uani 1 1 d . . . . .
C36 C -0.3115(5) 1.0380(4) 0.8154(2) 0.0411(16) Uani 1 1 d . . . . .
H36 H -0.345672 1.013783 0.801794 0.049 Uiso 1 1 calc R U . . .
C39 C -0.3097(5) 1.0338(4) 0.8529(2) 0.0454(18) Uani 1 1 d . . . . .
H39 H -0.343079 1.006988 0.865059 0.055 Uiso 1 1 calc R U . . .
C38 C -0.2594(4) 1.0683(4) 0.87450(18) 0.0392(15) Uani 1 1 d . . . . .
C29 C -0.2571(5) 1.0621(4) 0.9138(2) 0.0486(19) Uani 1 1 d . . . . .
H29 H -0.290713 1.035130 0.925680 0.058 Uiso 1 1 calc R U . . .
C40 C -0.2082(5) 1.0937(5) 0.93451(19) 0.055(2) Uani 1 1 d . . . . .
H40 H -0.208552 1.089874 0.960809 0.066 Uiso 1 1 calc R U . . .
C41 C -0.1562(6) 1.1326(4) 0.9172(2) 0.054(2) Uani 1 1 d . . . . .
H41 H -0.120676 1.154168 0.931742 0.064 Uiso 1 1 calc R U . . .
C42 C -0.1575(5) 1.1392(4) 0.87910(18) 0.0425(17) Uani 1 1 d . . . . .
H42 H -0.121909 1.165085 0.867707 0.051 Uiso 1 1 calc R U . . .
C43 C -0.2099(4) 1.1086(3) 0.85648(18) 0.0334(14) Uani 1 1 d . . . . .
C44 C -0.2137(4) 1.1152(3) 0.81633(17) 0.0323(13) Uani 1 1 d . . . . .
C45 C -0.1705(4) 1.1607(3) 0.79893(18) 0.0329(14) Uani 1 1 d . . . . .
H45 H -0.142184 1.186105 0.814773 0.040 Uiso 1 1 calc R U . . .
C46 C -0.1207(4) 1.2192(3) 0.74760(18) 0.0323(13) Uani 1 1 d . . . . .
H46 H -0.156484 1.251011 0.739343 0.039 Uiso 1 1 calc R U . . .
C47 C -0.0609(5) 1.2479(4) 0.7724(2) 0.0427(17) Uani 1 1 d . . . . .
H47A H -0.085808 1.266792 0.794009 0.051 Uiso 1 1 calc R U . . .
H47B H -0.025788 1.217072 0.781809 0.051 Uiso 1 1 calc R U . . .
C48 C -0.0167(5) 1.2939(4) 0.7509(2) 0.048(2) Uani 1 1 d . . . . .
H48A H -0.050854 1.327118 0.744354 0.058 Uiso 1 1 calc R U . . .
H48B H 0.024264 1.309792 0.766861 0.058 Uiso 1 1 calc R U . . .
C49 C 0.0173(5) 1.2693(4) 0.7162(2) 0.0471(19) Uani 1 1 d . . . . .
H49A H 0.056200 1.239473 0.722822 0.056 Uiso 1 1 calc R U . . .
H49B H 0.042670 1.301605 0.702325 0.056 Uiso 1 1 calc R U . . .
C50 C -0.0423(5) 1.2407(4) 0.6915(2) 0.0425(17) Uani 1 1 d . . . . .
H50A H -0.078962 1.271101 0.683073 0.051 Uiso 1 1 calc R U . . .
H50B H -0.017707 1.223348 0.669316 0.051 Uiso 1 1 calc R U . . .
C51 C -0.0839(4) 1.1926(3) 0.71278(18) 0.0307(13) Uani 1 1 d . . . . .
H51 H -0.046024 1.162153 0.720842 0.037 Uiso 1 1 calc R U . . .
C52 C -0.1984(4) 1.3202(3) 0.6408(2) 0.0331(13) Uani 1 1 d . . . . .
C53 C -0.1467(5) 1.3483(3) 0.6158(2) 0.0434(17) Uani 1 1 d . . . . .
H53 H -0.119615 1.324710 0.598392 0.052 Uiso 1 1 calc R U . . .
C54 C -0.1353(5) 1.4076(3) 0.6164(3) 0.050(2) Uani 1 1 d . . . . .
H54 H -0.101094 1.425084 0.599122 0.061 Uiso 1 1 calc R U . . .
C55 C -0.1737(5) 1.4439(3) 0.6422(3) 0.0477(19) Uani 1 1 d . . . . .
C56 C -0.1620(7) 1.5065(4) 0.6417(3) 0.062(2) Uani 1 1 d . . . . .
H56 H -0.128019 1.523194 0.624049 0.074 Uiso 1 1 calc R U . . .
C57 C -0.1985(6) 1.5426(4) 0.6659(3) 0.064(3) Uani 1 1 d . . . . .
H57 H -0.190753 1.584229 0.665090 0.077 Uiso 1 1 calc R U . . .
C58 C -0.2480(6) 1.5178(4) 0.6923(3) 0.059(2) Uani 1 1 d . . . . .
H58 H -0.273666 1.543156 0.709239 0.071 Uiso 1 1 calc R U . . .
C59 C -0.2601(5) 1.4571(4) 0.6941(3) 0.0483(19) Uani 1 1 d . . . . .
H59 H -0.292333 1.440956 0.712690 0.058 Uiso 1 1 calc R U . . .
C60 C -0.2241(4) 1.4190(3) 0.6679(2) 0.0395(16) Uani 1 1 d . . . . .
C61 C -0.2371(4) 1.3550(3) 0.66751(19) 0.0321(13) Uani 1 1 d . . . . .
C62 C -0.2884(4) 1.3296(3) 0.69348(19) 0.0330(14) Uani 1 1 d . . . . .
H62 H -0.313846 1.356201 0.709749 0.040 Uiso 1 1 calc R U . . .
C63 C -0.3563(4) 1.2505(3) 0.72587(17) 0.0303(13) Uani 1 1 d . . . . .
H63 H -0.325221 1.237503 0.747662 0.036 Uiso 1 1 calc R U . . .
C64 C -0.4160(5) 1.2944(3) 0.7398(2) 0.0399(16) Uani 1 1 d . . . . .
H64A H -0.446793 1.309097 0.718754 0.048 Uiso 1 1 calc R U . . .
H64B H -0.391040 1.328675 0.751857 0.048 Uiso 1 1 calc R U . . .
C65 C -0.4671(5) 1.2622(4) 0.7680(2) 0.0486(19) Uani 1 1 d . . . . .
H65A H -0.436871 1.252698 0.790409 0.058 Uiso 1 1 calc R U . . .
H65B H -0.508465 1.289283 0.775639 0.058 Uiso 1 1 calc R U . . .
C66 C -0.5010(5) 1.2067(4) 0.7534(2) 0.050(2) Uani 1 1 d . . . . .
H66A H -0.538212 1.216857 0.733808 0.060 Uiso 1 1 calc R U . . .
H66B H -0.528748 1.186623 0.773759 0.060 Uiso 1 1 calc R U . . .
C67 C -0.4423(5) 1.1640(3) 0.7374(2) 0.0424(17) Uani 1 1 d . . . . .
H67A H -0.410215 1.148145 0.757636 0.051 Uiso 1 1 calc R U . . .
H67B H -0.468494 1.130207 0.725309 0.051 Uiso 1 1 calc R U . . .
C68 C -0.3927(4) 1.1959(3) 0.70891(19) 0.0313(13) Uani 1 1 d . . . . .
H68 H -0.426296 1.209327 0.688138 0.038 Uiso 1 1 calc R U . . .
C69 C 0.0647(4) 0.9252(3) 0.65917(19) 0.0348(14) Uani 1 1 d . . . . .
C70 C 0.0946(4) 0.9292(4) 0.6964(2) 0.0448(17) Uani 1 1 d . . . . .
H70 H 0.071395 0.955513 0.713565 0.054 Uiso 1 1 calc R U . . .
C71 C 0.1546(5) 0.8967(4) 0.7074(2) 0.0470(19) Uani 1 1 d . . . . .
H71 H 0.174798 0.902279 0.731602 0.056 Uiso 1 1 calc R U . . .
C72 C 0.1884(4) 0.8539(4) 0.6830(2) 0.0410(17) Uani 1 1 d . . . . .
C73 C 0.2458(5) 0.8163(5) 0.6964(2) 0.052(2) Uani 1 1 d . . . . .
H73 H 0.263300 0.820524 0.721268 0.063 Uiso 1 1 calc R U . . .
C74 C 0.2768(5) 0.7735(4) 0.6738(3) 0.050(2) Uani 1 1 d . . . . .
H74 H 0.314843 0.747653 0.683103 0.060 Uiso 1 1 calc R U . . .
C75 C 0.2522(5) 0.7685(4) 0.6376(3) 0.0491(19) Uani 1 1 d . . . . .
H75 H 0.274449 0.739708 0.621708 0.059 Uiso 1 1 calc R U . . .
C76 C 0.1955(4) 0.8048(4) 0.6242(3) 0.0455(18) Uani 1 1 d . . . . .
H76 H 0.178921 0.799997 0.599211 0.055 Uiso 1 1 calc R U . . .
C77 C 0.1612(4) 0.8493(3) 0.6465(2) 0.0357(14) Uani 1 1 d . . . . .
C78 C 0.0999(4) 0.8865(3) 0.63407(18) 0.0313(13) Uani 1 1 d . . . . .
C79 C 0.0768(4) 0.8835(3) 0.59536(19) 0.0317(13) Uani 1 1 d . . . . .
H79 H 0.105450 0.858699 0.579271 0.038 Uiso 1 1 calc R U . . .
C80 C 0.0013(4) 0.9085(3) 0.54124(16) 0.0277(12) Uani 1 1 d . . . . .
H80 H 0.019099 0.946164 0.529459 0.033 Uiso 1 1 calc R U . . .
C81 C 0.0341(4) 0.8576(3) 0.5185(2) 0.0383(15) Uani 1 1 d . . . . .
H81A H 0.090247 0.859137 0.519332 0.046 Uiso 1 1 calc R U . . .
H81B H 0.017658 0.819277 0.529261 0.046 Uiso 1 1 calc R U . . .
C82 C 0.0073(5) 0.8623(4) 0.4789(2) 0.0432(17) Uani 1 1 d . . . . .
H82A H 0.027766 0.828561 0.464434 0.052 Uiso 1 1 calc R U . . .
H82B H 0.027245 0.899342 0.467822 0.052 Uiso 1 1 calc R U . . .
C83 C -0.0794(5) 0.8622(4) 0.4763(2) 0.049(2) Uani 1 1 d . . . . .
H83A H -0.099384 0.823931 0.485492 0.059 Uiso 1 1 calc R U . . .
H83B H -0.094973 0.866794 0.450001 0.059 Uiso 1 1 calc R U . . .
C84 C -0.1126(4) 0.9133(3) 0.49953(19) 0.0385(16) Uani 1 1 d . . . . .
H84A H -0.096311 0.951694 0.488915 0.046 Uiso 1 1 calc R U . . .
H84B H -0.168734 0.911616 0.498634 0.046 Uiso 1 1 calc R U . . .
C85 C -0.0862(4) 0.9088(3) 0.53974(18) 0.0307(13) Uani 1 1 d . . . . .
H85 H -0.105145 0.870646 0.550359 0.037 Uiso 1 1 calc R U . . .
C86 C -0.0971(4) 1.0751(3) 0.47314(17) 0.0285(12) Uani 1 1 d . . . . .
C87 C -0.1444(4) 1.0920(3) 0.44271(18) 0.0340(14) Uani 1 1 d . . . . .
H87 H -0.196076 1.101344 0.447321 0.041 Uiso 1 1 calc R U . . .
C88 C -0.1178(4) 1.0950(3) 0.40761(19) 0.0378(15) Uani 1 1 d . . . . .
H88 H -0.149877 1.109034 0.388298 0.045 Uiso 1 1 calc R U . . .
C89 C -0.0420(4) 1.0775(3) 0.39915(18) 0.0355(14) Uani 1 1 d . . . . .
C90 C -0.0145(5) 1.0770(4) 0.36182(19) 0.0459(18) Uani 1 1 d . . . . .
H90 H -0.046974 1.089813 0.342325 0.055 Uiso 1 1 calc R U . . .
C91 C 0.0558(5) 1.0588(4) 0.3536(2) 0.049(2) Uani 1 1 d . . . . .
H91 H 0.073629 1.060152 0.328704 0.058 Uiso 1 1 calc R U . . .
C92 C 0.1032(5) 1.0376(4) 0.3825(2) 0.0460(19) Uani 1 1 d . . . . .
H92 H 0.152337 1.022949 0.376660 0.055 Uiso 1 1 calc R U . . .
C93 C 0.0788(4) 1.0381(3) 0.4189(2) 0.0373(15) Uani 1 1 d . . . . .
H93 H 0.111232 1.023486 0.437872 0.045 Uiso 1 1 calc R U . . .
C94 C 0.0067(4) 1.0598(3) 0.42829(18) 0.0309(13) Uani 1 1 d . . . . .
C95 C -0.0195(4) 1.0629(3) 0.46639(17) 0.0285(12) Uani 1 1 d . . . . .
C96 C 0.0352(4) 1.0609(3) 0.49604(17) 0.0286(12) Uani 1 1 d . . . . .
H96 H 0.087092 1.058495 0.489104 0.034 Uiso 1 1 calc R U . . .
C97 C 0.0787(4) 1.0635(3) 0.56055(17) 0.0312(13) Uani 1 1 d . . . . .
H97 H 0.088008 1.021685 0.568536 0.037 Uiso 1 1 calc R U . . .
C98 C 0.1560(4) 1.0906(4) 0.5500(2) 0.0428(17) Uani 1 1 d . . . . .
H98A H 0.180215 1.066262 0.530360 0.051 Uiso 1 1 calc R U . . .
H98B H 0.148570 1.131127 0.540049 0.051 Uiso 1 1 calc R U . . .
C99 C 0.2071(4) 1.0928(5) 0.5842(2) 0.055(2) Uani 1 1 d . . . . .
H99A H 0.220632 1.051771 0.591418 0.066 Uiso 1 1 calc R U . . .
H99B H 0.254690 1.113658 0.577637 0.066 Uiso 1 1 calc R U . . .
C100 C 0.1725(5) 1.1228(5) 0.6166(2) 0.054(2) Uani 1 1 d . . . . .
H10A H 0.164959 1.165259 0.610737 0.064 Uiso 1 1 calc R U . . .
H10B H 0.207256 1.120035 0.638109 0.064 Uiso 1 1 calc R U . . .
C101 C 0.0954(4) 1.0946(5) 0.62685(19) 0.0454(19) Uani 1 1 d . . . . .
H10C H 0.103155 1.053063 0.634953 0.055 Uiso 1 1 calc R U . . .
H10D H 0.072075 1.116757 0.647672 0.055 Uiso 1 1 calc R U . . .
C102 C 0.0433(4) 1.0960(3) 0.59340(18) 0.0327(13) Uani 1 1 d . . . . .
H102 H 0.035524 1.138379 0.586100 0.039 Uiso 1 1 calc R U . . .
C108 C -0.4727(4) 0.9021(3) 0.54347(17) 0.0282(12) Uani 1 1 d . . . . .
H108 H -0.489007 0.884581 0.567721 0.034 Uiso 1 1 calc R U . . .
Cl1 Cl -0.0769(3) 0.65075(19) 0.59300(15) 0.1154(15) Uani 1 1 d . . . . .
O23 O -0.0312(17) 0.6964(8) 0.5798(6) 0.266(13) Uani 1 1 d . . . . .
O24 O -0.1433(7) 0.6715(6) 0.6094(4) 0.140(5) Uani 1 1 d . . . . .
O25 O -0.0322(11) 0.6275(10) 0.6245(8) 0.259(14) Uani 1 1 d . . . . .
O26 O -0.0885(11) 0.6012(6) 0.5686(4) 0.166(7) Uani 1 1 d . . . . .
O7W O -0.2482(13) 0.6300(10) 0.5373(6) 0.108(6) Uani 0.5 1 d . U P . .
H7WA H -0.253923 0.626910 0.513922 0.162 Uiso 0.5 1 d R U P . .
H7WB H -0.202123 0.620720 0.541052 0.162 Uiso 0.5 1 d R U P . .
C111 C -0.251(2) 0.5629(10) 0.4474(7) 0.112(13) Uani 0.5 1 d D . P . .
H11B H -0.283232 0.554822 0.425970 0.168 Uiso 0.5 1 calc R U P . .
H11C H -0.261373 0.534065 0.467146 0.168 Uiso 0.5 1 calc R U P . .
H11D H -0.197286 0.559572 0.439992 0.168 Uiso 0.5 1 calc R U P . .
O11W O 0.2758(10) 0.7327(7) 0.0726(4) 0.165(6) Uani 1 1 d . U . . .
H11K H 0.251060 0.724012 0.053043 0.247 Uiso 1 1 d R U . . .
H11L H 0.304530 0.703032 0.076213 0.247 Uiso 1 1 d R U . . .
C112 C 0.4509(10) 0.6998(10) 0.1037(7) 0.067(5) Uani 0.5 1 d D U P . .
H11E H 0.462066 0.708109 0.077499 0.101 Uiso 0.5 1 calc R U P . .
H11F H 0.491711 0.675594 0.114280 0.101 Uiso 0.5 1 calc R U P . .
H11G H 0.447150 0.737209 0.117414 0.101 Uiso 0.5 1 calc R U P . .
O14W O -0.0737(7) 1.0471(5) 0.7560(3) 0.044(2) Uani 0.5 1 d . U P . .
H14C H -0.106099 1.026551 0.768044 0.066 Uiso 0.5 1 d R U P . .
H14D H -0.073079 1.082381 0.764464 0.066 Uiso 0.5 1 d R U P . .
O15W O 0.2224(18) 1.2267(14) 0.7444(9) 0.159(11) Uani 0.5 1 d . U P . .
H15C H 0.195621 1.194741 0.747970 0.238 Uiso 0.5 1 d R U P . .
H15D H 0.209471 1.238631 0.722290 0.238 Uiso 0.5 1 d R U P . .
O17 O -0.4121(6) 0.8612(5) 0.7783(3) 0.095(3) Uani 1 1 d . . . . .
O18 O -0.4210(5) 0.9196(4) 0.7305(3) 0.081(2) Uani 1 1 d . . . . .
O19 O -0.3122(5) 0.9055(5) 0.7570(3) 0.089(3) Uani 1 1 d . . . . .
N7 N -0.3806(4) 0.8869(3) 0.75341(17) 0.0405(10) Uani 1 1 d . . . . .
O35 O -0.2077(4) 0.9410(3) 0.70499(18) 0.0556(16) Uani 1 1 d D . . . .
H35 H -0.242681 0.922035 0.716267 0.083 Uiso 1 1 d R U . . .
O20 O -0.2744(4) 1.1620(2) 0.55415(15) 0.0470(13) Uani 1 1 d . . . . .
O21 O -0.2290(4) 1.2029(3) 0.50403(18) 0.0611(17) Uani 1 1 d . . . . .
O22 O -0.3352(4) 1.2330(4) 0.5276(2) 0.072(2) Uani 1 1 d . . . . .
N8 N -0.2830(4) 1.1979(3) 0.52698(17) 0.0405(10) Uani 1 1 d . . . . .
O27 O -0.5716(4) 0.9560(3) 0.7590(2) 0.0639(17) Uani 1 1 d . . . . .
H27 H -0.534360 0.933868 0.759257 0.096 Uiso 1 1 d R U . . .
C103 C -0.5476(7) 1.0143(5) 0.7670(3) 0.069(3) Uani 1 1 d . . . . .
H10H H -0.531008 1.033740 0.744052 0.104 Uiso 1 1 calc R U . . .
H10I H -0.505374 1.013120 0.784729 0.104 Uiso 1 1 calc R U . . .
H10J H -0.589858 1.036688 0.777881 0.104 Uiso 1 1 calc R U . . .
O28 O -0.1045(5) 0.8037(5) 0.6159(3) 0.101(3) Uani 1 1 d D . . . .
H28A H -0.106592 0.771307 0.605517 0.151 Uiso 1 1 d R U . . .
C110 C -0.0656(11) 0.7954(9) 0.6490(5) 0.138(8) Uani 1 1 d D . . . .
H11H H -0.022547 0.768683 0.644834 0.208 Uiso 1 1 calc R U . . .
H11I H -0.099701 0.777955 0.667552 0.208 Uiso 1 1 calc R U . . .
H11J H -0.046893 0.833672 0.658114 0.208 Uiso 1 1 calc R U . . .
O31 O -0.4739(5) 0.9932(4) 0.4346(3) 0.092(3) Uani 1 1 d D . . . .
H31 H -0.518800 0.983806 0.431877 0.138 Uiso 1 1 d R U . . .
C104 C -0.4423(8) 1.0074(6) 0.3999(3) 0.087(4) Uani 1 1 d D . . . .
H10K H -0.468454 0.985024 0.380380 0.131 Uiso 1 1 calc R U . . .
H10L H -0.388290 0.997069 0.399851 0.131 Uiso 1 1 calc R U . . .
H10M H -0.448078 1.049960 0.395270 0.131 Uiso 1 1 calc R U . . .
O32 O -0.3896(5) 1.2397(3) 0.6037(3) 0.090(3) Uani 1 1 d D . . . .
H32 H -0.374126 1.234768 0.582383 0.135 Uiso 1 1 d R U . . .
C107 C -0.4154(9) 1.2978(4) 0.6076(5) 0.100(5) Uani 1 1 d D . . . .
H10N H -0.401863 1.320787 0.585472 0.150 Uiso 1 1 calc R U . . .
H10O H -0.391836 1.315824 0.629583 0.150 Uiso 1 1 calc R U . . .
H10P H -0.470681 1.297776 0.610650 0.150 Uiso 1 1 calc R U . . .
O33 O 0.5800(4) 0.8062(4) 0.03750(19) 0.0665(19) Uani 1 1 d . . . . .
H33 H 0.621554 0.798509 0.028177 0.100 Uiso 1 1 d R U . . .
C106 C 0.5225(7) 0.7833(5) 0.0141(3) 0.068(3) Uani 1 1 d . . . . .
H10Q H 0.530089 0.741480 0.010713 0.101 Uiso 1 1 d R U . . .
H10R H 0.524159 0.802800 -0.009577 0.101 Uiso 1 1 d R U . . .
H10S H 0.474099 0.790020 0.025533 0.101 Uiso 1 1 d R U . . .
O34 O -0.3839(4) 1.0386(3) 0.4910(2) 0.0563(16) Uani 1 1 d . . . . .
H34A H -0.390732 1.020493 0.471434 0.084 Uiso 1 1 d R U . . .
C105 C -0.3930(8) 1.0998(5) 0.4840(4) 0.077(3) Uani 1 1 d . . . . .
H10T H -0.441954 1.106610 0.471799 0.115 Uiso 1 1 calc R U . . .
H10U H -0.351990 1.113546 0.467696 0.115 Uiso 1 1 calc R U . . .
H10V H -0.391260 1.121604 0.507492 0.115 Uiso 1 1 calc R U . . .
C109 C -0.1595(10) 0.8911(7) 0.7083(6) 0.125(6) Uani 1 1 d D U . . .
H10E H -0.184933 0.856170 0.697880 0.188 Uiso 1 1 calc R U . . .
H10F H -0.148084 0.884040 0.734596 0.188 Uiso 1 1 calc R U . . .
H10G H -0.112260 0.898395 0.694717 0.188 Uiso 1 1 calc R U . . .
O16W O 0.1423(12) 1.1316(10) 0.7541(6) 0.104(6) Uiso 0.5 1 d . . P . .
H16C H 0.132724 1.100244 0.766494 0.156 Uiso 0.5 1 d R U P . .
H16D H 0.122844 1.159524 0.766974 0.156 Uiso 0.5 1 d R U P . .
O10W O -0.0327(9) 0.9338(7) 0.7802(4) 0.068(4) Uiso 0.5 1 d . . P . .
H10W H -0.045225 0.968217 0.772786 0.101 Uiso 0.5 1 d R U P . .
H10X H -0.070005 0.922397 0.793366 0.101 Uiso 0.5 1 d R U P . .
O13W O 0.1722(14) 0.7442(11) 0.1326(7) 0.123(8) Uiso 0.5 1 d . . P . .
H13C H 0.200551 0.742039 0.113494 0.185 Uiso 0.5 1 d R U P . .
H13D H 0.195221 0.758439 0.151334 0.185 Uiso 0.5 1 d R U P . .
O9W O 0.3544(10) 0.6169(7) 0.1750(4) 0.074(4) Uiso 0.5 1 d . . P . .
H9WA H 0.353171 0.653251 0.166856 0.110 Uiso 0.5 1 d R U P . .
H9WB H 0.308071 0.623420 0.169796 0.110 Uiso 0.5 1 d R U P . .
O37 O -0.2648(11) 0.6204(7) 0.4607(5) 0.087(5) Uani 0.5 1 d D U P . .
H37 H -0.287080 0.618187 0.481248 0.105 Uiso 0.5 1 d R U P . .
O38 O 0.3824(8) 0.6692(6) 0.1063(4) 0.067(4) Uani 0.5 1 d D U P . .
H38 H 0.368170 0.669164 0.128004 0.101 Uiso 0.5 1 d R U P . .
O12W O 0.0185(11) 1.1149(8) 0.8002(5) 0.086(5) Uani 0.5 1 d . U P . .
H12B H 0.059031 1.122821 0.788416 0.129 Uiso 0.5 1 d R U P . .
H12C H 0.033181 1.094571 0.818786 0.129 Uiso 0.5 1 d R U P . .
O8W O 0.2522(13) 0.6930(12) 0.1965(6) 0.127(9) Uani 0.5 1 d . . P . .
H8WA H 0.234695 0.709731 0.177199 0.190 Uiso 0.5 1 d R U P . .
H8WB H 0.215185 0.672871 0.204979 0.190 Uiso 0.5 1 d R U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.8603(4) . ?
Dy1 Dy3 3.8524(4) . ?
Dy1 Cu1 3.3833(8) . ?
Dy1 Cu4 3.4013(8) . ?
Dy1 O1W 2.352(4) . ?
Dy1 O2 2.377(4) . ?
Dy1 O2W 2.366(4) . ?
Dy1 O6 2.354(4) . ?
Dy1 O11 2.398(4) . ?
Dy1 O12 2.380(4) . ?
Dy1 O13 2.380(4) . ?
Dy1 O14 2.414(4) . ?
Dy2 Dy3 3.8553(4) . ?
Dy2 Cu3 3.3691(8) . ?
Dy2 Cu6 3.3786(8) . ?
Dy2 O3W 2.362(5) . ?
Dy2 O4W 2.358(5) . ?
Dy2 O8 2.350(4) . ?
Dy2 O10 2.370(4) . ?
Dy2 O13 2.402(4) . ?
Dy2 O14 2.390(4) . ?
Dy2 O15 2.384(4) . ?
Dy2 O16 2.401(4) . ?
Dy3 Cu2 3.3688(8) . ?
Dy3 Cu5 3.3770(8) . ?
Dy3 O4 2.347(4) . ?
Dy3 O5W 2.360(4) . ?
Dy3 O6W 2.379(4) . ?
Dy3 O11 2.371(4) . ?
Dy3 O12 2.418(4) . ?
Dy3 O15 2.415(4) . ?
Dy3 O16 2.368(4) . ?
Dy3 O30 2.363(4) . ?
Cu1 O1 1.898(5) . ?
Cu1 O2 1.951(4) . ?
Cu1 O11 1.946(4) . ?
Cu1 N1 1.909(5) . ?
Cu2 O3 1.898(4) . ?
Cu2 O4 1.964(4) . ?
Cu2 O12 1.953(4) . ?
Cu2 N2 1.923(5) . ?
Cu3 O7 1.906(5) . ?
Cu3 O8 1.957(5) . ?
Cu3 O13 1.956(4) . ?
Cu3 N3 1.917(5) . ?
Cu4 O5 1.901(5) . ?
Cu4 O6 1.950(5) . ?
Cu4 O14 1.953(4) . ?
Cu4 N4 1.923(5) . ?
Cu5 O15 1.951(4) . ?
Cu5 O29 1.906(5) . ?
Cu5 O30 1.962(4) . ?
Cu5 N5 1.905(5) . ?
Cu6 O9 1.903(4) . ?
Cu6 O10 1.956(4) . ?
Cu6 O16 1.949(4) . ?
Cu6 N6 1.918(5) . ?
O1 C1 1.324(8) . ?
O1W H1WA 0.8604 . ?
O1W H1WB 0.8609 . ?
O2 C17 1.424(7) . ?
O2W H2WA 0.8583 . ?
O2W H2WB 0.8541 . ?
O3 C18 1.315(7) . ?
O3W H3WA 0.8500 . ?
O3W H3WB 0.8499 . ?
O4 C34 1.432(7) . ?
O4W H4WA 0.8569 . ?
O4W H4WB 0.8598 . ?
O5 C52 1.310(8) . ?
O5W H5WA 0.8612 . ?
O5W H5WB 0.8601 . ?
O6 C68 1.430(8) . ?
O6W H6WA 0.8638 . ?
O6W H6WB 0.8624 . ?
O7 C35 1.313(8) . ?
O8 C51 1.424(8) . ?
O9 C86 1.311(7) . ?
O10 C102 1.424(8) . ?
O11 H11 0.9140 . ?
O12 H12 0.9122 . ?
O13 H13 0.9119 . ?
O14 H14 0.9111 . ?
O15 H15 0.9116 . ?
O16 H16 0.9146 . ?
O29 C69 1.317(8) . ?
O30 C85 1.411(8) . ?
N1 C11 1.273(8) . ?
N1 C12 1.494(8) . ?
N2 C28 1.266(8) . ?
N2 C108 1.466(8) . ?
N3 C45 1.291(8) . ?
N3 C46 1.473(9) . ?
N4 C62 1.302(9) . ?
N4 C63 1.478(9) . ?
N5 C79 1.300(8) . ?
N5 C80 1.473(8) . ?
N6 C96 1.290(8) . ?
N6 C97 1.474(8) . ?
C1 C2 1.425(10) . ?
C1 C10 1.406(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.342(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.427(12) . ?
C4 C5 1.391(11) . ?
C4 C9 1.409(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.383(14) . ?
C6 H6 0.9500 . ?
C6 C7 1.396(14) . ?
C7 H7 0.9500 . ?
C7 C8 1.378(11) . ?
C8 H8 0.9500 . ?
C8 C9 1.411(10) . ?
C9 C10 1.440(9) . ?
C10 C11 1.448(9) . ?
C11 H11A 0.9500 . ?
C12 H12A 1.0000 . ?
C12 C13 1.527(9) . ?
C12 C17 1.535(9) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.533(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.525(12) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.537(10) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.518(8) . ?
C17 H17 1.0000 . ?
C18 C19 1.429(9) . ?
C18 C27 1.412(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.344(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.427(11) . ?
C21 C22 1.418(10) . ?
C21 C26 1.413(10) . ?
C22 H22 0.9500 . ?
C22 C23 1.362(12) . ?
C23 H23 0.9500 . ?
C23 C24 1.385(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.375(10) . ?
C25 H25 0.9500 . ?
C25 C26 1.411(10) . ?
C26 C27 1.451(9) . ?
C27 C28 1.452(9) . ?
C28 H28 0.9500 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.528(11) . ?
C30 C108 1.511(9) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.518(14) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.521(10) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.516(8) . ?
C34 H34 1.0000 . ?
C34 C108 1.547(9) . ?
C35 C36 1.431(10) . ?
C35 C44 1.411(10) . ?
C36 H36 0.9500 . ?
C36 C39 1.352(10) . ?
C39 H39 0.9500 . ?
C39 C38 1.411(12) . ?
C38 C29 1.422(10) . ?
C38 C43 1.417(11) . ?
C29 H29 0.9500 . ?
C29 C40 1.343(14) . ?
C40 H40 0.9500 . ?
C40 C41 1.413(14) . ?
C41 H41 0.9500 . ?
C41 C42 1.379(10) . ?
C42 H42 0.9500 . ?
C42 C43 1.411(11) . ?
C43 C44 1.453(9) . ?
C44 C45 1.422(10) . ?
C45 H45 0.9500 . ?
C46 H46 1.0000 . ?
C46 C47 1.525(9) . ?
C46 C51 1.533(10) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C48 1.511(11) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C49 1.490(12) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.520(11) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C51 1.516(9) . ?
C51 H51 1.0000 . ?
C52 C53 1.430(10) . ?
C52 C61 1.415(10) . ?
C53 H53 0.9500 . ?
C53 C54 1.354(10) . ?
C54 H54 0.9500 . ?
C54 C55 1.411(13) . ?
C55 C56 1.428(10) . ?
C55 C60 1.398(12) . ?
C56 H56 0.9500 . ?
C56 C57 1.355(15) . ?
C57 H57 0.9500 . ?
C57 C58 1.404(16) . ?
C58 H58 0.9500 . ?
C58 C59 1.389(12) . ?
C59 H59 0.9500 . ?
C59 C60 1.424(12) . ?
C60 C61 1.461(10) . ?
C61 C62 1.421(10) . ?
C62 H62 0.9500 . ?
C63 H63 1.0000 . ?
C63 C64 1.530(9) . ?
C63 C68 1.517(9) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.537(12) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.482(13) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C67 1.528(11) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C67 C68 1.526(10) . ?
C68 H68 1.0000 . ?
C69 C70 1.441(10) . ?
C69 C78 1.400(10) . ?
C70 H70 0.9500 . ?
C70 C71 1.346(11) . ?
C71 H71 0.9500 . ?
C71 C72 1.435(12) . ?
C72 C73 1.405(11) . ?
C72 C77 1.401(11) . ?
C73 H73 0.9500 . ?
C73 C74 1.375(14) . ?
C74 H74 0.9500 . ?
C74 C75 1.378(13) . ?
C75 H75 0.9500 . ?
C75 C76 1.380(10) . ?
C76 H76 0.9500 . ?
C76 C77 1.420(11) . ?
C77 C78 1.441(9) . ?
C78 C79 1.452(9) . ?
C79 H79 0.9500 . ?
C80 H80 1.0000 . ?
C80 C81 1.523(9) . ?
C80 C85 1.543(9) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C81 C82 1.506(10) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C82 C83 1.532(12) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C83 C84 1.539(10) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C84 C85 1.523(9) . ?
C85 H85 1.0000 . ?
C86 C87 1.428(9) . ?
C86 C95 1.415(9) . ?
C87 H87 0.9500 . ?
C87 C88 1.349(9) . ?
C88 H88 0.9500 . ?
C88 C89 1.425(11) . ?
C89 C90 1.427(10) . ?
C89 C94 1.412(10) . ?
C90 H90 0.9500 . ?
C90 C91 1.338(13) . ?
C91 H91 0.9500 . ?
C91 C92 1.416(13) . ?
C92 H92 0.9500 . ?
C92 C93 1.379(10) . ?
C93 H93 0.9500 . ?
C93 C94 1.404(10) . ?
C94 C95 1.448(8) . ?
C95 C96 1.438(9) . ?
C96 H96 0.9500 . ?
C97 H97 1.0000 . ?
C97 C98 1.542(10) . ?
C97 C102 1.524(9) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C98 C99 1.528(10) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C99 C100 1.477(13) . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C100 C101 1.545(11) . ?
C101 H10C 0.9900 . ?
C101 H10D 0.9900 . ?
C101 C102 1.514(9) . ?
C102 H102 1.0000 . ?
C108 H108 1.0000 . ?
Cl1 O23 1.391(17) . ?
Cl1 O24 1.392(11) . ?
Cl1 O25 1.48(2) . ?
Cl1 O26 1.437(13) . ?
O7W H7WA 0.8495 . ?
O7W H7WB 0.8497 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 O37 1.405(13) . ?
O11W H11K 0.8505 . ?
O11W H11L 0.8495 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 O38 1.395(12) . ?
O14W H14C 0.8528 . ?
O14W H14D 0.8524 . ?
O15W H15C 0.8701 . ?
O15W H15D 0.8702 . ?
O17 N7 1.202(10) . ?
O18 N7 1.315(10) . ?
O19 N7 1.283(11) . ?
O35 H35 0.8539 . ?
O35 C109 1.416(11) . ?
O20 N8 1.278(7) . ?
O21 N8 1.265(9) . ?
O22 N8 1.214(10) . ?
O27 H27 0.8243 . ?
O27 C103 1.412(13) . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C103 H10J 0.9800 . ?
O28 H28A 0.8215 . ?
O28 C110 1.387(11) . ?
C110 H11H 0.9800 . ?
C110 H11I 0.9800 . ?
C110 H11J 0.9800 . ?
O31 H31 0.8259 . ?
O31 C104 1.402(11) . ?
C104 H10K 0.9800 . ?
C104 H10L 0.9800 . ?
C104 H10M 0.9800 . ?
O32 H32 0.8199 . ?
O32 C107 1.396(10) . ?
C107 H10N 0.9800 . ?
C107 H10O 0.9800 . ?
C107 H10P 0.9800 . ?
O33 H33 0.8233 . ?
O33 C106 1.415(13) . ?
C106 H10Q 0.9595 . ?
C106 H10R 0.9597 . ?
C106 H10S 0.9599 . ?
O34 H34A 0.8212 . ?
O34 C105 1.413(12) . ?
C105 H10T 0.9800 . ?
C105 H10U 0.9800 . ?
C105 H10V 0.9800 . ?
C109 H10E 0.9800 . ?
C109 H10F 0.9800 . ?
C109 H10G 0.9800 . ?
O16W H16C 0.8522 . ?
O16W H16D 0.8528 . ?
O10W H10W 0.8498 . ?
O10W H10X 0.8501 . ?
O13W H13C 0.8503 . ?
O13W H13D 0.8499 . ?
O9W H9WA 0.8701 . ?
O9W H9WB 0.8501 . ?
O37 H37 0.8399 . ?
O38 H38 0.8197 . ?
O12W H12B 0.8501 . ?
O12W H12C 0.8498 . ?
O8W H8WA 0.8501 . ?
O8W H8WB 0.8502 . ?

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
Dy3 Dy1 Dy2 59.982(7) . . ?
Cu1 Dy1 Dy2 110.870(15) . . ?
Cu1 Dy1 Dy3 59.003(14) . . ?
Cu1 Dy1 Cu4 170.30(2) . . ?
Cu4 Dy1 Dy2 59.511(15) . . ?
Cu4 Dy1 Dy3 112.086(15) . . ?
O1W Dy1 Dy2 113.56(12) . . ?
O1W Dy1 Dy3 119.83(12) . . ?
O1W Dy1 Cu1 73.92(12) . . ?
O1W Dy1 Cu4 110.22(12) . . ?
O1W Dy1 O2 76.84(16) . . ?
O1W Dy1 O2W 115.71(17) . . ?
O1W Dy1 O6 79.32(16) . . ?
O1W Dy1 O11 84.27(16) . . ?
O1W Dy1 O12 145.39(15) . . ?
O1W Dy1 O13 77.22(16) . . ?
O1W Dy1 O14 135.11(15) . . ?
O2 Dy1 Dy2 142.16(10) . . ?
O2 Dy1 Dy3 82.96(10) . . ?
O2 Dy1 Cu1 34.27(10) . . ?
O2 Dy1 Cu4 154.05(10) . . ?
O2 Dy1 O11 67.95(14) . . ?
O2 Dy1 O12 74.97(15) . . ?
O2 Dy1 O13 134.52(14) . . ?
O2 Dy1 O14 147.98(14) . . ?
O2W Dy1 Dy2 121.95(12) . . ?
O2W Dy1 Dy3 114.61(11) . . ?
O2W Dy1 Cu1 110.60(11) . . ?
O2W Dy1 Cu4 75.96(11) . . ?
O2W Dy1 O2 78.55(15) . . ?
O2W Dy1 O11 135.92(14) . . ?
O2W Dy1 O12 77.70(15) . . ?
O2W Dy1 O13 146.83(15) . . ?
O2W Dy1 O14 86.14(15) . . ?
O6 Dy1 Dy2 83.92(11) . . ?
O6 Dy1 Dy3 143.19(11) . . ?
O6 Dy1 Cu1 152.85(11) . . ?
O6 Dy1 Cu4 33.79(11) . . ?
O6 Dy1 O2 133.70(15) . . ?
O6 Dy1 O2W 76.99(16) . . ?
O6 Dy1 O11 147.08(15) . . ?
O6 Dy1 O12 135.18(15) . . ?
O6 Dy1 O13 75.79(16) . . ?
O6 Dy1 O14 67.59(15) . . ?
O11 Dy1 Dy2 76.77(10) . . ?
O11 Dy1 Dy3 35.90(10) . . ?
O11 Dy1 Cu1 34.26(10) . . ?
O11 Dy1 Cu4 136.24(10) . . ?
O11 Dy1 O14 107.40(14) . . ?
O12 Dy1 Dy2 78.99(10) . . ?
O12 Dy1 Dy3 36.92(10) . . ?
O12 Dy1 Cu1 71.47(10) . . ?
O12 Dy1 Cu4 103.90(10) . . ?
O12 Dy1 O11 66.77(14) . . ?
O12 Dy1 O13 109.65(14) . . ?
O12 Dy1 O14 74.37(14) . . ?
O13 Dy1 Dy2 36.35(10) . . ?
O13 Dy1 Dy3 78.47(10) . . ?
O13 Dy1 Cu1 102.26(10) . . ?
O13 Dy1 Cu4 70.87(10) . . ?
O13 Dy1 O11 72.83(14) . . ?
O13 Dy1 O14 66.11(14) . . ?
O14 Dy1 Dy2 36.30(10) . . ?
O14 Dy1 Dy3 78.11(10) . . ?
O14 Dy1 Cu1 137.11(10) . . ?
O14 Dy1 Cu4 34.20(10) . . ?
Dy3 Dy2 Dy1 59.906(7) . . ?
Cu3 Dy2 Dy1 60.424(15) . . ?
Cu3 Dy2 Dy3 112.825(16) . . ?
Cu3 Dy2 Cu6 171.25(2) . . ?
Cu6 Dy2 Dy1 111.239(15) . . ?
Cu6 Dy2 Dy3 58.630(14) . . ?
O3W Dy2 Dy1 119.54(13) . . ?
O3W Dy2 Dy3 113.60(12) . . ?
O3W Dy2 Cu3 73.53(12) . . ?
O3W Dy2 Cu6 110.82(12) . . ?
O3W Dy2 O10 78.58(16) . . ?
O3W Dy2 O13 84.17(15) . . ?
O3W Dy2 O14 145.56(15) . . ?
O3W Dy2 O15 76.78(16) . . ?
O3W Dy2 O16 135.84(15) . . ?
O4W Dy2 Dy1 114.83(12) . . ?
O4W Dy2 Dy3 119.33(12) . . ?
O4W Dy2 Cu3 111.43(12) . . ?
O4W Dy2 Cu6 73.80(12) . . ?
O4W Dy2 O3W 117.28(18) . . ?
O4W Dy2 O10 77.71(16) . . ?
O4W Dy2 O13 136.25(16) . . ?
O4W Dy2 O14 78.11(16) . . ?
O4W Dy2 O15 144.55(15) . . ?
O4W Dy2 O16 83.83(16) . . ?
O8 Dy2 Dy1 84.63(12) . . ?
O8 Dy2 Dy3 144.03(11) . . ?
O8 Dy2 Cu3 34.55(11) . . ?
O8 Dy2 Cu6 152.49(11) . . ?
O8 Dy2 O3W 77.20(16) . . ?
O8 Dy2 O4W 79.16(16) . . ?
O8 Dy2 O10 133.58(16) . . ?
O8 Dy2 O13 68.63(15) . . ?
O8 Dy2 O14 75.95(15) . . ?
O8 Dy2 O15 136.15(14) . . ?
O8 Dy2 O16 146.93(15) . . ?
O10 Dy2 Dy1 141.75(11) . . ?
O10 Dy2 Dy3 82.21(11) . . ?
O10 Dy2 Cu3 151.78(10) . . ?
O10 Dy2 Cu6 34.46(10) . . ?
O10 Dy2 O13 145.99(16) . . ?
O10 Dy2 O14 135.86(14) . . ?
O10 Dy2 O15 73.51(15) . . ?
O10 Dy2 O16 68.25(14) . . ?
O13 Dy2 Dy1 35.97(10) . . ?
O13 Dy2 Dy3 78.19(10) . . ?
O13 Dy2 Cu3 34.77(10) . . ?
O13 Dy2 Cu6 136.81(10) . . ?
O14 Dy2 Dy1 36.73(10) . . ?
O14 Dy2 Dy3 78.30(10) . . ?
O14 Dy2 Cu3 72.10(10) . . ?
O14 Dy2 Cu6 102.94(10) . . ?
O14 Dy2 O13 66.15(14) . . ?
O14 Dy2 O16 72.90(14) . . ?
O15 Dy2 Dy1 78.38(10) . . ?
O15 Dy2 Dy3 36.83(10) . . ?
O15 Dy2 Cu3 103.69(10) . . ?
O15 Dy2 Cu6 70.75(10) . . ?
O15 Dy2 O13 74.13(14) . . ?
O15 Dy2 O14 109.26(14) . . ?
O15 Dy2 O16 66.61(14) . . ?
O16 Dy2 Dy1 77.08(9) . . ?
O16 Dy2 Dy3 35.78(10) . . ?
O16 Dy2 Cu3 137.48(10) . . ?
O16 Dy2 Cu6 34.44(9) . . ?
O16 Dy2 O13 107.51(14) . . ?
Dy1 Dy3 Dy2 60.112(7) . . ?
Cu2 Dy3 Dy1 59.933(14) . . ?
Cu2 Dy3 Dy2 113.192(15) . . ?
Cu2 Dy3 Cu5 172.45(2) . . ?
Cu5 Dy3 Dy1 112.583(16) . . ?
Cu5 Dy3 Dy2 59.802(15) . . ?
O4 Dy3 Dy1 84.13(10) . . ?
O4 Dy3 Dy2 143.98(10) . . ?
O4 Dy3 Cu2 34.72(10) . . ?
O4 Dy3 Cu5 150.38(10) . . ?
O4 Dy3 O5W 79.69(16) . . ?
O4 Dy3 O6W 77.45(16) . . ?
O4 Dy3 O11 75.92(14) . . ?
O4 Dy3 O12 68.88(14) . . ?
O4 Dy3 O15 145.86(14) . . ?
O4 Dy3 O16 137.18(14) . . ?
O4 Dy3 O30 132.36(14) . . ?
O5W Dy3 Dy1 113.28(13) . . ?
O5W Dy3 Dy2 116.63(13) . . ?
O5W Dy3 Cu2 111.77(12) . . ?
O5W Dy3 Cu5 71.33(12) . . ?
O5W Dy3 O6W 120.25(18) . . ?
O5W Dy3 O11 76.93(16) . . ?
O5W Dy3 O12 136.21(15) . . ?
O5W Dy3 O15 80.81(17) . . ?
O5W Dy3 O16 143.13(16) . . ?
O5W Dy3 O30 76.82(16) . . ?
O6W Dy3 Dy1 118.17(12) . . ?
O6W Dy3 Dy2 114.12(12) . . ?
O6W Dy3 Cu2 72.89(12) . . ?
O6W Dy3 Cu5 111.93(12) . . ?
O6W Dy3 O12 82.43(15) . . ?
O6W Dy3 O15 136.69(15) . . ?
O11 Dy3 Dy1 36.37(10) . . ?
O11 Dy3 Dy2 77.14(10) . . ?
O11 Dy3 Cu2 72.01(10) . . ?
O11 Dy3 Cu5 102.64(10) . . ?
O11 Dy3 O6W 144.71(15) . . ?
O11 Dy3 O12 66.59(14) . . ?
O11 Dy3 O15 72.52(14) . . ?
O12 Dy3 Dy1 36.25(9) . . ?
O12 Dy3 Dy2 78.70(10) . . ?
O12 Dy3 Cu2 34.78(10) . . ?
O12 Dy3 Cu5 138.48(10) . . ?
O15 Dy3 Dy1 78.23(10) . . ?
O15 Dy3 Dy2 36.27(10) . . ?
O15 Dy3 Cu2 138.07(10) . . ?
O15 Dy3 Cu5 34.58(10) . . ?
O15 Dy3 O12 108.91(14) . . ?
O16 Dy3 Dy1 77.57(9) . . ?
O16 Dy3 Dy2 36.35(10) . . ?
O16 Dy3 Cu2 104.12(10) . . ?
O16 Dy3 Cu5 72.03(10) . . ?
O16 Dy3 O6W 77.78(15) . . ?
O16 Dy3 O11 107.45(14) . . ?
O16 Dy3 O12 73.66(14) . . ?
O16 Dy3 O15 66.63(14) . . ?
O30 Dy3 Dy1 143.36(10) . . ?
O30 Dy3 Dy2 83.62(11) . . ?
O30 Dy3 Cu2 151.78(10) . . ?
O30 Dy3 Cu5 34.59(10) . . ?
O30 Dy3 O6W 79.61(15) . . ?
O30 Dy3 O11 135.68(14) . . ?
O30 Dy3 O12 146.91(15) . . ?
O30 Dy3 O15 68.51(14) . . ?
O30 Dy3 O16 75.51(15) . . ?
O1 Cu1 Dy1 133.54(15) . . ?
O1 Cu1 O2 172.6(2) . . ?
O1 Cu1 O11 91.97(19) . . ?
O1 Cu1 N1 93.8(2) . . ?
O2 Cu1 Dy1 43.33(13) . . ?
O11 Cu1 Dy1 43.94(12) . . ?
O11 Cu1 O2 86.46(18) . . ?
N1 Cu1 Dy1 129.59(16) . . ?
N1 Cu1 O2 87.4(2) . . ?
N1 Cu1 O11 173.4(2) . . ?
O3 Cu2 Dy3 136.63(14) . . ?
O3 Cu2 O4 178.4(2) . . ?
O3 Cu2 O12 92.85(18) . . ?
O3 Cu2 N2 92.9(2) . . ?
O4 Cu2 Dy3 42.87(12) . . ?
O12 Cu2 Dy3 44.91(12) . . ?
O12 Cu2 O4 86.94(17) . . ?
N2 Cu2 Dy3 127.59(17) . . ?
N2 Cu2 O4 87.1(2) . . ?
N2 Cu2 O12 170.1(2) . . ?
O7 Cu3 Dy2 137.50(15) . . ?
O7 Cu3 O8 179.5(2) . . ?
O7 Cu3 O13 94.05(19) . . ?
O7 Cu3 N3 93.1(2) . . ?
O8 Cu3 Dy2 42.93(13) . . ?
O13 Cu3 Dy2 44.45(12) . . ?
O13 Cu3 O8 86.43(18) . . ?
N3 Cu3 Dy2 126.38(18) . . ?
N3 Cu3 O8 86.4(2) . . ?
N3 Cu3 O13 168.1(2) . . ?
O5 Cu4 Dy1 137.21(14) . . ?
O5 Cu4 O6 177.1(2) . . ?
O5 Cu4 O14 94.24(19) . . ?
O5 Cu4 N4 93.1(2) . . ?
O6 Cu4 Dy1 42.18(12) . . ?
O6 Cu4 O14 85.63(17) . . ?
O14 Cu4 Dy1 44.00(12) . . ?
N4 Cu4 Dy1 126.97(18) . . ?
N4 Cu4 O6 86.7(2) . . ?
N4 Cu4 O14 169.0(2) . . ?
O15 Cu5 Dy3 44.63(12) . . ?
O15 Cu5 O30 86.83(18) . . ?
O29 Cu5 Dy3 135.79(15) . . ?
O29 Cu5 O15 92.77(19) . . ?
O29 Cu5 O30 176.7(2) . . ?
O30 Cu5 Dy3 43.13(13) . . ?
N5 Cu5 Dy3 126.40(17) . . ?
N5 Cu5 O15 168.1(2) . . ?
N5 Cu5 O29 93.5(2) . . ?
N5 Cu5 O30 86.3(2) . . ?
O9 Cu6 Dy2 133.14(13) . . ?
O9 Cu6 O10 171.4(2) . . ?
O9 Cu6 O16 91.91(18) . . ?
O9 Cu6 N6 94.4(2) . . ?
O10 Cu6 Dy2 43.27(12) . . ?
O16 Cu6 Dy2 44.16(12) . . ?
O16 Cu6 O10 86.51(17) . . ?
N6 Cu6 Dy2 128.77(16) . . ?
N6 Cu6 O10 86.8(2) . . ?
N6 Cu6 O16 172.8(2) . . ?
C1 O1 Cu1 126.6(4) . . ?
Dy1 O1W H1WA 109.8 . . ?
Dy1 O1W H1WB 109.3 . . ?
H1WA O1W H1WB 104.1 . . ?
Cu1 O2 Dy1 102.40(17) . . ?
C17 O2 Dy1 134.8(4) . . ?
C17 O2 Cu1 106.4(3) . . ?
Dy1 O2W H2WA 109.4 . . ?
Dy1 O2W H2WB 110.5 . . ?
H2WA O2W H2WB 104.5 . . ?
C18 O3 Cu2 126.7(4) . . ?
Dy2 O3W H3WA 109.1 . . ?
Dy2 O3W H3WB 109.4 . . ?
H3WA O3W H3WB 104.5 . . ?
Cu2 O4 Dy3 102.41(17) . . ?
C34 O4 Dy3 133.8(4) . . ?
C34 O4 Cu2 107.5(3) . . ?
Dy2 O4W H4WA 109.7 . . ?
Dy2 O4W H4WB 109.3 . . ?
H4WA O4W H4WB 104.1 . . ?
C52 O5 Cu4 127.9(5) . . ?
Dy3 O5W H5WA 110.3 . . ?
Dy3 O5W H5WB 110.8 . . ?
H5WA O5W H5WB 104.5 . . ?
Cu4 O6 Dy1 104.03(18) . . ?
C68 O6 Dy1 131.0(4) . . ?
C68 O6 Cu4 105.8(4) . . ?
Dy3 O6W H6WA 109.3 . . ?
Dy3 O6W H6WB 109.4 . . ?
H6WA O6W H6WB 104.2 . . ?
C35 O7 Cu3 126.2(5) . . ?
Cu3 O8 Dy2 102.52(18) . . ?
C51 O8 Dy2 131.0(4) . . ?
C51 O8 Cu3 107.1(4) . . ?
C86 O9 Cu6 126.4(4) . . ?
Cu6 O10 Dy2 102.27(18) . . ?
C102 O10 Dy2 133.0(4) . . ?
C102 O10 Cu6 105.4(3) . . ?
Dy1 O11 H11 116.9 . . ?
Dy3 O11 Dy1 107.73(16) . . ?
Dy3 O11 H11 106.6 . . ?
Cu1 O11 Dy1 101.81(17) . . ?
Cu1 O11 Dy3 111.98(19) . . ?
Cu1 O11 H11 111.8 . . ?
Dy1 O12 Dy3 106.84(15) . . ?
Dy1 O12 H12 105.4 . . ?
Dy3 O12 H12 118.2 . . ?
Cu2 O12 Dy1 113.50(19) . . ?
Cu2 O12 Dy3 100.31(17) . . ?
Cu2 O12 H12 112.8 . . ?
Dy1 O13 Dy2 107.68(15) . . ?
Dy1 O13 H13 104.5 . . ?
Dy2 O13 H13 117.4 . . ?
Cu3 O13 Dy1 114.9(2) . . ?
Cu3 O13 Dy2 100.78(17) . . ?
Cu3 O13 H13 111.8 . . ?
Dy1 O14 H14 116.8 . . ?
Dy2 O14 Dy1 106.97(15) . . ?
Dy2 O14 H14 107.6 . . ?
Cu4 O14 Dy1 101.79(17) . . ?
Cu4 O14 Dy2 112.83(18) . . ?
Cu4 O14 H14 110.9 . . ?
Dy2 O15 Dy3 106.90(16) . . ?
Dy2 O15 H15 107.0 . . ?
Dy3 O15 H15 117.5 . . ?
Cu5 O15 Dy2 113.30(19) . . ?
Cu5 O15 Dy3 100.79(17) . . ?
Cu5 O15 H15 111.5 . . ?
Dy2 O16 H16 115.5 . . ?
Dy3 O16 Dy2 107.87(15) . . ?
Dy3 O16 H16 107.6 . . ?
Cu6 O16 Dy2 101.40(17) . . ?
Cu6 O16 Dy3 110.99(18) . . ?
Cu6 O16 H16 113.3 . . ?
C69 O29 Cu5 126.1(5) . . ?
Cu5 O30 Dy3 102.27(18) . . ?
C85 O30 Dy3 132.2(4) . . ?
C85 O30 Cu5 107.9(4) . . ?
C11 N1 Cu1 126.6(5) . . ?
C11 N1 C12 123.0(5) . . ?
C12 N1 Cu1 110.4(4) . . ?
C28 N2 Cu2 126.0(4) . . ?
C28 N2 C108 123.3(5) . . ?
C108 N2 Cu2 110.3(4) . . ?
C45 N3 Cu3 125.1(5) . . ?
C45 N3 C46 123.2(6) . . ?
C46 N3 Cu3 111.2(4) . . ?
C62 N4 Cu4 125.9(5) . . ?
C62 N4 C63 123.0(6) . . ?
C63 N4 Cu4 111.1(4) . . ?
C79 N5 Cu5 126.7(5) . . ?
C79 N5 C80 121.8(5) . . ?
C80 N5 Cu5 111.4(4) . . ?
C96 N6 Cu6 125.3(5) . . ?
C96 N6 C97 124.2(5) . . ?
C97 N6 Cu6 110.5(4) . . ?
O1 C1 C2 115.6(6) . . ?
O1 C1 C10 124.9(6) . . ?
C10 C1 C2 119.4(6) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.7(8) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 118.6 . . ?
C2 C3 C4 122.8(7) . . ?
C4 C3 H3 118.6 . . ?
C5 C4 C3 120.8(8) . . ?
C5 C4 C9 122.1(8) . . ?
C9 C4 C3 117.0(7) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.0(8) . . ?
C6 C5 H5 119.5 . . ?
C5 C6 H6 121.0 . . ?
C5 C6 C7 117.9(8) . . ?
C7 C6 H6 121.0 . . ?
C6 C7 H7 119.4 . . ?
C8 C7 C6 121.2(8) . . ?
C8 C7 H7 119.4 . . ?
C7 C8 H8 119.0 . . ?
C7 C8 C9 122.1(8) . . ?
C9 C8 H8 119.0 . . ?
C4 C9 C8 115.5(6) . . ?
C4 C9 C10 121.0(7) . . ?
C8 C9 C10 123.4(6) . . ?
C1 C10 C9 118.9(6) . . ?
C1 C10 C11 121.6(6) . . ?
C9 C10 C11 119.6(6) . . ?
N1 C11 C10 126.0(6) . . ?
N1 C11 H11A 117.0 . . ?
C10 C11 H11A 117.0 . . ?
N1 C12 H12A 107.1 . . ?
N1 C12 C13 116.8(5) . . ?
N1 C12 C17 106.0(5) . . ?
C13 C12 H12A 107.1 . . ?
C13 C12 C17 112.2(6) . . ?
C17 C12 H12A 107.1 . . ?
C12 C13 H13A 110.0 . . ?
C12 C13 H13B 110.0 . . ?
C12 C13 C14 108.7(6) . . ?
H13A C13 H13B 108.3 . . ?
C14 C13 H13A 110.0 . . ?
C14 C13 H13B 110.0 . . ?
C13 C14 H14A 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C15 C14 C13 112.5(7) . . ?
C15 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C14 C15 H15A 109.4 . . ?
C14 C15 H15B 109.4 . . ?
C14 C15 C16 111.1(7) . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
C15 C16 H16A 109.8 . . ?
C15 C16 H16B 109.8 . . ?
H16A C16 H16B 108.2 . . ?
C17 C16 C15 109.4(6) . . ?
C17 C16 H16A 109.8 . . ?
C17 C16 H16B 109.8 . . ?
O2 C17 C12 108.9(5) . . ?
O2 C17 C16 112.4(5) . . ?
O2 C17 H17 108.3 . . ?
C12 C17 H17 108.3 . . ?
C16 C17 C12 110.5(5) . . ?
C16 C17 H17 108.3 . . ?
O3 C18 C19 116.5(6) . . ?
O3 C18 C27 124.7(6) . . ?
C27 C18 C19 118.8(6) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 C18 121.7(7) . . ?
C20 C19 H19 119.2 . . ?
C19 C20 H20 119.4 . . ?
C19 C20 C21 121.1(7) . . ?
C21 C20 H20 119.4 . . ?
C22 C21 C20 120.3(7) . . ?
C26 C21 C20 119.8(6) . . ?
C26 C21 C22 119.9(7) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 C21 120.9(8) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 120.3 . . ?
C22 C23 C24 119.4(7) . . ?
C24 C23 H23 120.3 . . ?
C23 C24 H24 119.3 . . ?
C25 C24 C23 121.3(8) . . ?
C25 C24 H24 119.3 . . ?
C24 C25 H25 119.5 . . ?
C24 C25 C26 121.0(7) . . ?
C26 C25 H25 119.5 . . ?
C21 C26 C27 118.6(6) . . ?
C25 C26 C21 117.4(6) . . ?
C25 C26 C27 124.0(6) . . ?
C18 C27 C26 119.9(6) . . ?
C18 C27 C28 121.3(6) . . ?
C26 C27 C28 118.8(6) . . ?
N2 C28 C27 126.1(6) . . ?
N2 C28 H28 117.0 . . ?
C27 C28 H28 117.0 . . ?
H30A C30 H30B 108.3 . . ?
C31 C30 H30A 109.9 . . ?
C31 C30 H30B 109.9 . . ?
C108 C30 H30A 109.9 . . ?
C108 C30 H30B 109.9 . . ?
C108 C30 C31 108.9(6) . . ?
C30 C31 H31A 109.4 . . ?
C30 C31 H31B 109.4 . . ?
H31A C31 H31B 108.0 . . ?
C32 C31 C30 111.1(7) . . ?
C32 C31 H31A 109.4 . . ?
C32 C31 H31B 109.4 . . ?
C31 C32 H32A 109.2 . . ?
C31 C32 H32B 109.2 . . ?
C31 C32 C33 112.2(7) . . ?
H32A C32 H32B 107.9 . . ?
C33 C32 H32A 109.2 . . ?
C33 C32 H32B 109.2 . . ?
C32 C33 H33A 109.7 . . ?
C32 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
C34 C33 C32 110.0(6) . . ?
C34 C33 H33A 109.7 . . ?
C34 C33 H33B 109.7 . . ?
O4 C34 C33 112.8(5) . . ?
O4 C34 H34 108.1 . . ?
O4 C34 C108 108.7(5) . . ?
C33 C34 H34 108.1 . . ?
C33 C34 C108 110.9(5) . . ?
C108 C34 H34 108.1 . . ?
O7 C35 C36 116.0(7) . . ?
O7 C35 C44 124.8(6) . . ?
C44 C35 C36 119.2(6) . . ?
C35 C36 H36 119.3 . . ?
C39 C36 C35 121.3(8) . . ?
C39 C36 H36 119.4 . . ?
C36 C39 H39 119.2 . . ?
C36 C39 C38 121.6(8) . . ?
C38 C39 H39 119.2 . . ?
C39 C38 C29 120.7(8) . . ?
C39 C38 C43 119.3(6) . . ?
C43 C38 C29 120.0(8) . . ?
C38 C29 H29 119.4 . . ?
C40 C29 C38 121.1(8) . . ?
C40 C29 H29 119.4 . . ?
C29 C40 H40 119.9 . . ?
C29 C40 C41 120.1(7) . . ?
C41 C40 H40 119.9 . . ?
C40 C41 H41 120.2 . . ?
C42 C41 C40 119.6(8) . . ?
C42 C41 H41 120.2 . . ?
C41 C42 H42 119.0 . . ?
C41 C42 C43 122.1(8) . . ?
C43 C42 H42 119.0 . . ?
C38 C43 C44 119.5(6) . . ?
C42 C43 C38 116.9(6) . . ?
C42 C43 C44 123.5(7) . . ?
C35 C44 C43 118.9(6) . . ?
C35 C44 C45 121.8(6) . . ?
C45 C44 C43 119.1(6) . . ?
N3 C45 C44 126.2(6) . . ?
N3 C45 H45 116.9 . . ?
C44 C45 H45 116.9 . . ?
N3 C46 H46 107.8 . . ?
N3 C46 C47 117.5(6) . . ?
N3 C46 C51 105.1(5) . . ?
C47 C46 H46 107.8 . . ?
C47 C46 C51 110.5(6) . . ?
C51 C46 H46 107.8 . . ?
C46 C47 H47A 109.6 . . ?
C46 C47 H47B 109.6 . . ?
H47A C47 H47B 108.1 . . ?
C48 C47 C46 110.4(6) . . ?
C48 C47 H47A 109.6 . . ?
C48 C47 H47B 109.6 . . ?
C47 C48 H48A 109.1 . . ?
C47 C48 H48B 109.1 . . ?
H48A C48 H48B 107.9 . . ?
C49 C48 C47 112.4(7) . . ?
C49 C48 H48A 109.1 . . ?
C49 C48 H48B 109.1 . . ?
C48 C49 H49A 109.3 . . ?
C48 C49 H49B 109.3 . . ?
C48 C49 C50 111.6(7) . . ?
H49A C49 H49B 108.0 . . ?
C50 C49 H49A 109.3 . . ?
C50 C49 H49B 109.3 . . ?
C49 C50 H50A 109.6 . . ?
C49 C50 H50B 109.6 . . ?
H50A C50 H50B 108.2 . . ?
C51 C50 C49 110.1(6) . . ?
C51 C50 H50A 109.6 . . ?
C51 C50 H50B 109.6 . . ?
O8 C51 C46 109.2(5) . . ?
O8 C51 C50 112.9(5) . . ?
O8 C51 H51 108.3 . . ?
C46 C51 H51 108.3 . . ?
C50 C51 C46 109.6(6) . . ?
C50 C51 H51 108.3 . . ?
O5 C52 C53 116.1(7) . . ?
O5 C52 C61 124.7(6) . . ?
C61 C52 C53 119.2(6) . . ?
C52 C53 H53 119.2 . . ?
C54 C53 C52 121.6(8) . . ?
C54 C53 H53 119.2 . . ?
C53 C54 H54 119.6 . . ?
C53 C54 C55 120.7(8) . . ?
C55 C54 H54 119.6 . . ?
C54 C55 C56 119.7(9) . . ?
C60 C55 C54 120.5(7) . . ?
C60 C55 C56 119.8(9) . . ?
C55 C56 H56 119.4 . . ?
C57 C56 C55 121.1(10) . . ?
C57 C56 H56 119.4 . . ?
C56 C57 H57 120.3 . . ?
C56 C57 C58 119.4(8) . . ?
C58 C57 H57 120.3 . . ?
C57 C58 H58 119.4 . . ?
C59 C58 C57 121.3(9) . . ?
C59 C58 H58 119.4 . . ?
C58 C59 H59 120.1 . . ?
C58 C59 C60 119.7(9) . . ?
C60 C59 H59 120.1 . . ?
C55 C60 C59 118.6(7) . . ?
C55 C60 C61 119.3(7) . . ?
C59 C60 C61 122.1(7) . . ?
C52 C61 C60 118.6(7) . . ?
C52 C61 C62 121.9(6) . . ?
C62 C61 C60 119.5(6) . . ?
N4 C62 C61 126.4(6) . . ?
N4 C62 H62 116.8 . . ?
C61 C62 H62 116.8 . . ?
N4 C63 H63 108.0 . . ?
N4 C63 C64 115.6(6) . . ?
N4 C63 C68 105.6(5) . . ?
C64 C63 H63 108.0 . . ?
C68 C63 H63 108.0 . . ?
C68 C63 C64 111.4(6) . . ?
C63 C64 H64A 110.0 . . ?
C63 C64 H64B 110.0 . . ?
C63 C64 C65 108.3(6) . . ?
H64A C64 H64B 108.4 . . ?
C65 C64 H64A 110.0 . . ?
C65 C64 H64B 110.0 . . ?
C64 C65 H65A 108.8 . . ?
C64 C65 H65B 108.8 . . ?
H65A C65 H65B 107.7 . . ?
C66 C65 C64 113.7(6) . . ?
C66 C65 H65A 108.8 . . ?
C66 C65 H65B 108.8 . . ?
C65 C66 H66A 108.9 . . ?
C65 C66 H66B 108.9 . . ?
C65 C66 C67 113.2(7) . . ?
H66A C66 H66B 107.7 . . ?
C67 C66 H66A 108.9 . . ?
C67 C66 H66B 108.9 . . ?
C66 C67 H67A 109.6 . . ?
C66 C67 H67B 109.6 . . ?
H67A C67 H67B 108.2 . . ?
C68 C67 C66 110.1(6) . . ?
C68 C67 H67A 109.6 . . ?
C68 C67 H67B 109.6 . . ?
O6 C68 C63 109.7(5) . . ?
O6 C68 C67 112.8(6) . . ?
O6 C68 H68 107.8 . . ?
C63 C68 C67 110.9(6) . . ?
C63 C68 H68 107.8 . . ?
C67 C68 H68 107.8 . . ?
O29 C69 C70 115.7(7) . . ?
O29 C69 C78 125.9(6) . . ?
C78 C69 C70 118.4(6) . . ?
C69 C70 H70 119.1 . . ?
C71 C70 C69 121.8(8) . . ?
C71 C70 H70 119.1 . . ?
C70 C71 H71 119.5 . . ?
C70 C71 C72 120.9(7) . . ?
C72 C71 H71 119.5 . . ?
C73 C72 C71 119.7(8) . . ?
C77 C72 C71 118.6(7) . . ?
C77 C72 C73 121.6(8) . . ?
C72 C73 H73 119.8 . . ?
C74 C73 C72 120.4(8) . . ?
C74 C73 H73 119.8 . . ?
C73 C74 H74 120.3 . . ?
C73 C74 C75 119.5(7) . . ?
C75 C74 H74 120.3 . . ?
C74 C75 H75 119.7 . . ?
C74 C75 C76 120.7(9) . . ?
C76 C75 H75 119.7 . . ?
C75 C76 H76 119.0 . . ?
C75 C76 C77 122.0(8) . . ?
C77 C76 H76 119.0 . . ?
C72 C77 C76 115.9(7) . . ?
C72 C77 C78 120.3(7) . . ?
C76 C77 C78 123.7(7) . . ?
C69 C78 C77 119.7(6) . . ?
C69 C78 C79 121.6(6) . . ?
C77 C78 C79 118.7(6) . . ?
N5 C79 C78 124.8(6) . . ?
N5 C79 H79 117.6 . . ?
C78 C79 H79 117.6 . . ?
N5 C80 H80 107.1 . . ?
N5 C80 C81 118.7(5) . . ?
N5 C80 C85 104.8(5) . . ?
C81 C80 H80 107.1 . . ?
C81 C80 C85 111.4(6) . . ?
C85 C80 H80 107.1 . . ?
C80 C81 H81A 109.8 . . ?
C80 C81 H81B 109.8 . . ?
H81A C81 H81B 108.2 . . ?
C82 C81 C80 109.6(6) . . ?
C82 C81 H81A 109.8 . . ?
C82 C81 H81B 109.8 . . ?
C81 C82 H82A 109.3 . . ?
C81 C82 H82B 109.3 . . ?
C81 C82 C83 111.8(7) . . ?
H82A C82 H82B 107.9 . . ?
C83 C82 H82A 109.3 . . ?
C83 C82 H82B 109.3 . . ?
C82 C83 H83A 109.6 . . ?
C82 C83 H83B 109.6 . . ?
C82 C83 C84 110.2(7) . . ?
H83A C83 H83B 108.1 . . ?
C84 C83 H83A 109.6 . . ?
C84 C83 H83B 109.6 . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 108.1 . . ?
C85 C84 C83 110.5(6) . . ?
C85 C84 H84A 109.5 . . ?
C85 C84 H84B 109.5 . . ?
O30 C85 C80 109.2(5) . . ?
O30 C85 C84 112.3(5) . . ?
O30 C85 H85 108.5 . . ?
C80 C85 H85 108.4 . . ?
C84 C85 C80 109.9(6) . . ?
C84 C85 H85 108.4 . . ?
O9 C86 C87 116.8(6) . . ?
O9 C86 C95 124.2(6) . . ?
C95 C86 C87 119.0(6) . . ?
C86 C87 H87 119.1 . . ?
C88 C87 C86 121.9(7) . . ?
C88 C87 H87 119.1 . . ?
C87 C88 H88 119.6 . . ?
C87 C88 C89 120.8(6) . . ?
C89 C88 H88 119.6 . . ?
C88 C89 C90 121.4(7) . . ?
C94 C89 C88 119.3(6) . . ?
C94 C89 C90 119.3(7) . . ?
C89 C90 H90 119.2 . . ?
C91 C90 C89 121.6(7) . . ?
C91 C90 H90 119.2 . . ?
C90 C91 H91 120.4 . . ?
C90 C91 C92 119.3(7) . . ?
C92 C91 H91 120.4 . . ?
C91 C92 H92 119.7 . . ?
C93 C92 C91 120.6(8) . . ?
C93 C92 H92 119.7 . . ?
C92 C93 H93 119.5 . . ?
C92 C93 C94 121.0(8) . . ?
C94 C93 H93 119.5 . . ?
C89 C94 C95 119.7(6) . . ?
C93 C94 C89 118.0(6) . . ?
C93 C94 C95 122.3(6) . . ?
C86 C95 C94 118.7(6) . . ?
C86 C95 C96 121.8(6) . . ?
C96 C95 C94 119.1(6) . . ?
N6 C96 C95 126.1(6) . . ?
N6 C96 H96 116.9 . . ?
C95 C96 H96 116.9 . . ?
N6 C97 H97 107.4 . . ?
N6 C97 C98 116.6(5) . . ?
N6 C97 C102 106.4(5) . . ?
C98 C97 H97 107.4 . . ?
C102 C97 H97 107.4 . . ?
C102 C97 C98 111.3(6) . . ?
C97 C98 H98A 109.8 . . ?
C97 C98 H98B 109.8 . . ?
H98A C98 H98B 108.2 . . ?
C99 C98 C97 109.6(6) . . ?
C99 C98 H98A 109.8 . . ?
C99 C98 H98B 109.8 . . ?
C98 C99 H99A 108.8 . . ?
C98 C99 H99B 108.8 . . ?
H99A C99 H99B 107.7 . . ?
C100 C99 C98 114.0(7) . . ?
C100 C99 H99A 108.8 . . ?
C100 C99 H99B 108.8 . . ?
C99 C100 H10A 109.4 . . ?
C99 C100 H10B 109.4 . . ?
C99 C100 C101 111.3(8) . . ?
H10A C100 H10B 108.0 . . ?
C101 C100 H10A 109.4 . . ?
C101 C100 H10B 109.4 . . ?
C100 C101 H10C 109.8 . . ?
C100 C101 H10D 109.8 . . ?
H10C C101 H10D 108.2 . . ?
C102 C101 C100 109.5(6) . . ?
C102 C101 H10C 109.8 . . ?
C102 C101 H10D 109.8 . . ?
O10 C102 C97 108.6(6) . . ?
O10 C102 C101 112.6(5) . . ?
O10 C102 H102 108.2 . . ?
C97 C102 H102 108.2 . . ?
C101 C102 C97 110.9(6) . . ?
C101 C102 H102 108.2 . . ?
N2 C108 C30 117.0(5) . . ?
N2 C108 C34 106.6(5) . . ?
N2 C108 H108 107.3 . . ?
C30 C108 C34 111.0(6) . . ?
C30 C108 H108 107.3 . . ?
C34 C108 H108 107.3 . . ?
O23 Cl1 O24 112.6(13) . . ?
O23 Cl1 O25 102.5(15) . . ?
O23 Cl1 O26 116.7(11) . . ?
O24 Cl1 O25 104.0(13) . . ?
O24 Cl1 O26 113.7(10) . . ?
O26 Cl1 O25 105.6(13) . . ?
H7WA O7W H7WB 104.5 . . ?
H11B C111 H11C 109.5 . . ?
H11B C111 H11D 109.5 . . ?
H11C C111 H11D 109.5 . . ?
O37 C111 H11B 109.5 . . ?
O37 C111 H11C 109.5 . . ?
O37 C111 H11D 109.5 . . ?
H11K O11W H11L 104.5 . . ?
H11E C112 H11F 109.5 . . ?
H11E C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
O38 C112 H11E 109.5 . . ?
O38 C112 H11F 109.5 . . ?
O38 C112 H11G 109.5 . . ?
H14C O14W H14D 109.6 . . ?
H15C O15W H15D 104.5 . . ?
O17 N7 O18 119.1(9) . . ?
O17 N7 O19 121.1(8) . . ?
O19 N7 O18 112.8(7) . . ?
C109 O35 H35 89.6 . . ?
O21 N8 O20 117.8(7) . . ?
O22 N8 O20 119.2(7) . . ?
O22 N8 O21 121.6(6) . . ?
C103 O27 H27 108.9 . . ?
O27 C103 H10H 109.5 . . ?
O27 C103 H10I 109.5 . . ?
O27 C103 H10J 109.5 . . ?
H10H C103 H10I 109.5 . . ?
H10H C103 H10J 109.5 . . ?
H10I C103 H10J 109.5 . . ?
C110 O28 H28A 107.1 . . ?
O28 C110 H11H 109.5 . . ?
O28 C110 H11I 109.5 . . ?
O28 C110 H11J 109.5 . . ?
H11H C110 H11I 109.5 . . ?
H11H C110 H11J 109.5 . . ?
H11I C110 H11J 109.5 . . ?
C104 O31 H31 109.6 . . ?
O31 C104 H10K 109.5 . . ?
O31 C104 H10L 109.5 . . ?
O31 C104 H10M 109.5 . . ?
H10K C104 H10L 109.5 . . ?
H10K C104 H10M 109.5 . . ?
H10L C104 H10M 109.5 . . ?
C107 O32 H32 109.3 . . ?
O32 C107 H10N 109.5 . . ?
O32 C107 H10O 109.5 . . ?
O32 C107 H10P 109.5 . . ?
H10N C107 H10O 109.5 . . ?
H10N C107 H10P 109.5 . . ?
H10O C107 H10P 109.5 . . ?
C106 O33 H33 108.5 . . ?
O33 C106 H10Q 109.6 . . ?
O33 C106 H10R 109.8 . . ?
O33 C106 H10S 109.0 . . ?
H10Q C106 H10R 109.5 . . ?
H10Q C106 H10S 109.5 . . ?
H10R C106 H10S 109.5 . . ?
C105 O34 H34A 108.4 . . ?
O34 C105 H10T 109.5 . . ?
O34 C105 H10U 109.5 . . ?
O34 C105 H10V 109.5 . . ?
H10T C105 H10U 109.5 . . ?
H10T C105 H10V 109.5 . . ?
H10U C105 H10V 109.5 . . ?
O35 C109 H10E 109.5 . . ?
O35 C109 H10F 109.5 . . ?
O35 C109 H10G 109.5 . . ?
H10E C109 H10F 109.5 . . ?
H10E C109 H10G 109.5 . . ?
H10F C109 H10G 109.5 . . ?
H16C O16W H16D 104.5 . . ?
H10W O10W H10X 104.5 . . ?
H13C O13W H13D 112.5 . . ?
H9WA O9W H9WB 75.0 . . ?
C111 O37 H37 109.1 . . ?
C112 O38 H38 109.2 . . ?
H12B O12W H12C 104.5 . . ?
H8WA O8W H8WB 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
Dy1 Cu1 O1 C1 165.9(5) . . . . ?
Dy1 O2 C17 C12 -172.3(4) . . . . ?
Dy1 O2 C17 C16 65.0(7) . . . . ?
Dy1 O6 C68 C63 -171.1(4) . . . . ?
Dy1 O6 C68 C67 64.8(8) . . . . ?
Dy2 O8 C51 C46 -167.3(4) . . . . ?
Dy2 O8 C51 C50 70.5(7) . . . . ?
Dy2 O10 C102 C97 -171.1(4) . . . . ?
Dy2 O10 C102 C101 65.7(8) . . . . ?
Dy3 Cu2 O3 C18 145.1(4) . . . . ?
Dy3 O4 C34 C33 68.5(7) . . . . ?
Dy3 O4 C34 C108 -168.1(4) . . . . ?
Dy3 O30 C85 C80 -167.2(4) . . . . ?
Dy3 O30 C85 C84 70.7(7) . . . . ?
Cu1 O1 C1 C2 177.0(6) . . . . ?
Cu1 O1 C1 C10 0.0(10) . . . . ?
Cu1 O2 C17 C12 -44.9(5) . . . . ?
Cu1 O2 C17 C16 -167.6(5) . . . . ?
Cu1 N1 C11 C10 0.3(10) . . . . ?
Cu1 N1 C12 C13 -154.2(5) . . . . ?
Cu1 N1 C12 C17 -28.5(6) . . . . ?
Cu2 O3 C18 C19 -170.9(5) . . . . ?
Cu2 O3 C18 C27 8.6(9) . . . . ?
Cu2 O4 C34 C33 -163.6(5) . . . . ?
Cu2 O4 C34 C108 -40.2(5) . . . . ?
Cu2 N2 C28 C27 -9.5(10) . . . . ?
Cu2 N2 C108 C30 -157.9(6) . . . . ?
Cu2 N2 C108 C34 -33.1(6) . . . . ?
Cu3 O7 C35 C36 -173.9(5) . . . . ?
Cu3 O7 C35 C44 5.9(11) . . . . ?
Cu3 O8 C51 C46 -42.7(6) . . . . ?
Cu3 O8 C51 C50 -164.9(5) . . . . ?
Cu3 N3 C45 C44 -9.4(11) . . . . ?
Cu3 N3 C46 C47 -155.9(5) . . . . ?
Cu3 N3 C46 C51 -32.5(6) . . . . ?
Cu4 O5 C52 C53 178.3(5) . . . . ?
Cu4 O5 C52 C61 -2.4(10) . . . . ?
Cu4 O6 C68 C63 -45.5(6) . . . . ?
Cu4 O6 C68 C67 -169.7(5) . . . . ?
Cu4 N4 C62 C61 -5.8(10) . . . . ?
Cu4 N4 C63 C64 -151.7(5) . . . . ?
Cu4 N4 C63 C68 -28.1(6) . . . . ?
Cu5 O29 C69 C70 -175.6(5) . . . . ?
Cu5 O29 C69 C78 2.8(10) . . . . ?
Cu5 O30 C85 C80 -40.7(6) . . . . ?
Cu5 O30 C85 C84 -162.8(5) . . . . ?
Cu5 N5 C79 C78 -6.1(10) . . . . ?
Cu5 N5 C80 C81 -159.0(5) . . . . ?
Cu5 N5 C80 C85 -33.9(6) . . . . ?
Cu6 O9 C86 C87 -167.6(5) . . . . ?
Cu6 O9 C86 C95 13.1(9) . . . . ?
Cu6 O10 C102 C97 -47.1(5) . . . . ?
Cu6 O10 C102 C101 -170.4(6) . . . . ?
Cu6 N6 C96 C95 1.7(10) . . . . ?
Cu6 N6 C97 C98 -152.1(5) . . . . ?
Cu6 N6 C97 C102 -27.3(6) . . . . ?
O1 C1 C2 C3 -178.7(9) . . . . ?
O1 C1 C10 C9 174.9(6) . . . . ?
O1 C1 C10 C11 -6.9(11) . . . . ?
O3 C18 C19 C20 179.0(7) . . . . ?
O3 C18 C27 C26 -176.7(6) . . . . ?
O3 C18 C27 C28 3.5(10) . . . . ?
O4 C34 C108 N2 48.7(6) . . . . ?
O4 C34 C108 C30 177.1(5) . . . . ?
O5 C52 C53 C54 177.6(8) . . . . ?
O5 C52 C61 C60 -177.9(6) . . . . ?
O5 C52 C61 C62 1.6(11) . . . . ?
O7 C35 C36 C39 178.2(8) . . . . ?
O7 C35 C44 C43 -175.7(7) . . . . ?
O7 C35 C44 C45 7.5(12) . . . . ?
O9 C86 C87 C88 -177.5(7) . . . . ?
O9 C86 C95 C94 170.7(6) . . . . ?
O9 C86 C95 C96 -17.1(10) . . . . ?
O11 Cu1 O1 C1 -178.1(6) . . . . ?
O12 Cu2 O3 C18 156.6(5) . . . . ?
O29 C69 C70 C71 178.1(8) . . . . ?
O29 C69 C78 C77 -174.3(6) . . . . ?
O29 C69 C78 C79 6.6(11) . . . . ?
N1 Cu1 O1 C1 5.0(6) . . . . ?
N1 C12 C13 C14 178.5(6) . . . . ?
N1 C12 C17 O2 48.7(6) . . . . ?
N1 C12 C17 C16 172.5(5) . . . . ?
N2 Cu2 O3 C18 -15.3(5) . . . . ?
N3 C46 C47 C48 176.6(7) . . . . ?
N3 C46 C51 O8 49.6(7) . . . . ?
N3 C46 C51 C50 173.8(6) . . . . ?
N4 C63 C64 C65 177.5(6) . . . . ?
N4 C63 C68 O6 48.9(7) . . . . ?
N4 C63 C68 C67 174.1(6) . . . . ?
N5 C80 C81 C82 179.5(6) . . . . ?
N5 C80 C85 O30 49.0(6) . . . . ?
N5 C80 C85 C84 172.6(5) . . . . ?
N6 C97 C98 C99 175.8(7) . . . . ?
N6 C97 C102 O10 49.7(7) . . . . ?
N6 C97 C102 C101 174.0(6) . . . . ?
C1 C2 C3 C4 4.9(16) . . . . ?
C1 C10 C11 N1 6.8(11) . . . . ?
C2 C1 C10 C9 -2.0(11) . . . . ?
C2 C1 C10 C11 176.2(7) . . . . ?
C2 C3 C4 C5 177.0(10) . . . . ?
C2 C3 C4 C9 -4.3(15) . . . . ?
C3 C4 C5 C6 179.1(10) . . . . ?
C3 C4 C9 C8 178.3(8) . . . . ?
C3 C4 C9 C10 0.5(12) . . . . ?
C4 C5 C6 C7 1.3(17) . . . . ?
C4 C9 C10 C1 2.4(11) . . . . ?
C4 C9 C10 C11 -175.8(7) . . . . ?
C5 C4 C9 C8 -3.0(12) . . . . ?
C5 C4 C9 C10 179.2(8) . . . . ?
C5 C6 C7 C8 -0.4(16) . . . . ?
C6 C7 C8 C9 -2.3(14) . . . . ?
C7 C8 C9 C4 3.9(12) . . . . ?
C7 C8 C9 C10 -178.4(8) . . . . ?
C8 C9 C10 C1 -175.2(7) . . . . ?
C8 C9 C10 C11 6.6(10) . . . . ?
C9 C4 C5 C6 0.5(16) . . . . ?
C9 C10 C11 N1 -175.0(6) . . . . ?
C10 C1 C2 C3 -1.6(14) . . . . ?
C11 N1 C12 C13 27.7(9) . . . . ?
C11 N1 C12 C17 153.5(6) . . . . ?
C12 N1 C11 C10 178.0(6) . . . . ?
C12 C13 C14 C15 -54.9(10) . . . . ?
C13 C12 C17 O2 177.2(5) . . . . ?
C13 C12 C17 C16 -58.9(7) . . . . ?
C13 C14 C15 C16 56.6(10) . . . . ?
C14 C15 C16 C17 -56.9(9) . . . . ?
C15 C16 C17 O2 179.4(6) . . . . ?
C15 C16 C17 C12 57.6(8) . . . . ?
C17 C12 C13 C14 55.9(8) . . . . ?
C18 C19 C20 C21 -2.0(12) . . . . ?
C18 C27 C28 N2 -3.0(11) . . . . ?
C19 C18 C27 C26 2.9(10) . . . . ?
C19 C18 C27 C28 -176.9(6) . . . . ?
C19 C20 C21 C22 -177.8(8) . . . . ?
C19 C20 C21 C26 2.3(11) . . . . ?
C20 C21 C22 C23 178.9(8) . . . . ?
C20 C21 C26 C25 -179.1(7) . . . . ?
C20 C21 C26 C27 0.0(10) . . . . ?
C21 C22 C23 C24 0.2(13) . . . . ?
C21 C26 C27 C18 -2.6(9) . . . . ?
C21 C26 C27 C28 177.2(6) . . . . ?
C22 C21 C26 C25 1.0(10) . . . . ?
C22 C21 C26 C27 -179.9(7) . . . . ?
C22 C23 C24 C25 0.9(14) . . . . ?
C23 C24 C25 C26 -1.0(14) . . . . ?
C24 C25 C26 C21 0.0(11) . . . . ?
C24 C25 C26 C27 -179.0(7) . . . . ?
C25 C26 C27 C18 176.4(7) . . . . ?
C25 C26 C27 C28 -3.8(10) . . . . ?
C26 C21 C22 C23 -1.2(11) . . . . ?
C26 C27 C28 N2 177.2(6) . . . . ?
C27 C18 C19 C20 -0.6(11) . . . . ?
C28 N2 C108 C30 14.9(10) . . . . ?
C28 N2 C108 C34 139.7(6) . . . . ?
C30 C31 C32 C33 56.8(10) . . . . ?
C31 C30 C108 N2 -179.0(7) . . . . ?
C31 C30 C108 C34 58.4(9) . . . . ?
C31 C32 C33 C34 -54.9(9) . . . . ?
C32 C33 C34 O4 177.2(6) . . . . ?
C32 C33 C34 C108 55.0(8) . . . . ?
C33 C34 C108 N2 173.3(5) . . . . ?
C33 C34 C108 C30 -58.3(7) . . . . ?
C35 C36 C39 C38 -0.8(13) . . . . ?
C35 C44 C45 N3 -5.6(12) . . . . ?
C36 C35 C44 C43 4.1(11) . . . . ?
C36 C35 C44 C45 -172.7(7) . . . . ?
C36 C39 C38 C29 -178.4(8) . . . . ?
C36 C39 C38 C43 0.4(13) . . . . ?
C39 C38 C29 C40 178.5(8) . . . . ?
C39 C38 C43 C42 -176.1(7) . . . . ?
C39 C38 C43 C44 2.2(11) . . . . ?
C38 C29 C40 C41 -1.9(14) . . . . ?
C38 C43 C44 C35 -4.4(10) . . . . ?
C38 C43 C44 C45 172.5(7) . . . . ?
C29 C38 C43 C42 2.8(11) . . . . ?
C29 C38 C43 C44 -179.0(7) . . . . ?
C29 C40 C41 C42 1.8(14) . . . . ?
C40 C41 C42 C43 0.8(14) . . . . ?
C41 C42 C43 C38 -3.0(12) . . . . ?
C41 C42 C43 C44 178.9(8) . . . . ?
C42 C43 C44 C35 173.7(7) . . . . ?
C42 C43 C44 C45 -9.4(11) . . . . ?
C43 C38 C29 C40 -0.4(12) . . . . ?
C43 C44 C45 N3 177.6(7) . . . . ?
C44 C35 C36 C39 -1.6(12) . . . . ?
C45 N3 C46 C47 16.4(10) . . . . ?
C45 N3 C46 C51 139.7(7) . . . . ?
C46 N3 C45 C44 179.4(7) . . . . ?
C46 C47 C48 C49 -54.7(10) . . . . ?
C47 C46 C51 O8 177.3(6) . . . . ?
C47 C46 C51 C50 -58.5(8) . . . . ?
C47 C48 C49 C50 55.3(10) . . . . ?
C48 C49 C50 C51 -56.9(10) . . . . ?
C49 C50 C51 O8 -179.8(6) . . . . ?
C49 C50 C51 C46 58.2(9) . . . . ?
C51 C46 C47 C48 56.1(9) . . . . ?
C52 C53 C54 C55 0.9(14) . . . . ?
C52 C61 C62 N4 2.7(11) . . . . ?
C53 C52 C61 C60 1.5(10) . . . . ?
C53 C52 C61 C62 -179.1(7) . . . . ?
C53 C54 C55 C56 -178.6(10) . . . . ?
C53 C54 C55 C60 0.2(14) . . . . ?
C54 C55 C56 C57 179.4(10) . . . . ?
C54 C55 C60 C59 178.5(8) . . . . ?
C54 C55 C60 C61 -0.5(12) . . . . ?
C55 C56 C57 C58 0.8(17) . . . . ?
C55 C60 C61 C52 -0.4(10) . . . . ?
C55 C60 C61 C62 -179.9(7) . . . . ?
C56 C55 C60 C59 -2.7(13) . . . . ?
C56 C55 C60 C61 178.3(8) . . . . ?
C56 C57 C58 C59 0.1(17) . . . . ?
C57 C58 C59 C60 -2.3(14) . . . . ?
C58 C59 C60 C55 3.6(12) . . . . ?
C58 C59 C60 C61 -177.5(8) . . . . ?
C59 C60 C61 C52 -179.3(7) . . . . ?
C59 C60 C61 C62 1.2(11) . . . . ?
C60 C55 C56 C57 0.5(16) . . . . ?
C60 C61 C62 N4 -177.8(7) . . . . ?
C61 C52 C53 C54 -1.8(12) . . . . ?
C62 N4 C63 C64 25.2(9) . . . . ?
C62 N4 C63 C68 148.8(6) . . . . ?
C63 N4 C62 C61 177.9(6) . . . . ?
C63 C64 C65 C66 -54.0(10) . . . . ?
C64 C63 C68 O6 175.1(5) . . . . ?
C64 C63 C68 C67 -59.6(8) . . . . ?
C64 C65 C66 C67 53.1(11) . . . . ?
C65 C66 C67 C68 -52.4(10) . . . . ?
C66 C67 C68 O6 178.7(6) . . . . ?
C66 C67 C68 C63 55.2(9) . . . . ?
C68 C63 C64 C65 57.0(8) . . . . ?
C69 C70 C71 C72 -3.9(13) . . . . ?
C69 C78 C79 N5 -4.8(11) . . . . ?
C70 C69 C78 C77 4.0(10) . . . . ?
C70 C69 C78 C79 -175.1(7) . . . . ?
C70 C71 C72 C73 -173.4(8) . . . . ?
C70 C71 C72 C77 4.4(12) . . . . ?
C71 C72 C73 C74 177.5(8) . . . . ?
C71 C72 C77 C76 -178.2(7) . . . . ?
C71 C72 C77 C78 -0.7(11) . . . . ?
C72 C73 C74 C75 1.3(13) . . . . ?
C72 C77 C78 C69 -3.5(10) . . . . ?
C72 C77 C78 C79 175.6(6) . . . . ?
C73 C72 C77 C76 -0.5(11) . . . . ?
C73 C72 C77 C78 177.1(7) . . . . ?
C73 C74 C75 C76 -1.7(13) . . . . ?
C74 C75 C76 C77 1.1(13) . . . . ?
C75 C76 C77 C72 0.0(11) . . . . ?
C75 C76 C77 C78 -177.5(7) . . . . ?
C76 C77 C78 C69 173.8(7) . . . . ?
C76 C77 C78 C79 -7.0(10) . . . . ?
C77 C72 C73 C74 -0.2(12) . . . . ?
C77 C78 C79 N5 176.0(6) . . . . ?
C78 C69 C70 C71 -0.4(12) . . . . ?
C79 N5 C80 C81 17.5(9) . . . . ?
C79 N5 C80 C85 142.6(6) . . . . ?
C80 N5 C79 C78 178.0(6) . . . . ?
C80 C81 C82 C83 -57.5(9) . . . . ?
C81 C80 C85 O30 178.6(5) . . . . ?
C81 C80 C85 C84 -57.7(7) . . . . ?
C81 C82 C83 C84 57.3(9) . . . . ?
C82 C83 C84 C85 -56.5(9) . . . . ?
C83 C84 C85 O30 178.4(6) . . . . ?
C83 C84 C85 C80 56.6(8) . . . . ?
C85 C80 C81 C82 57.6(8) . . . . ?
C86 C87 C88 C89 4.3(11) . . . . ?
C86 C95 C96 N6 9.3(10) . . . . ?
C87 C86 C95 C94 -8.6(9) . . . . ?
C87 C86 C95 C96 163.5(6) . . . . ?
C87 C88 C89 C90 176.0(7) . . . . ?
C87 C88 C89 C94 -3.4(11) . . . . ?
C88 C89 C90 C91 -177.9(8) . . . . ?
C88 C89 C94 C93 174.8(6) . . . . ?
C88 C89 C94 C95 -3.5(10) . . . . ?
C89 C90 C91 C92 2.3(13) . . . . ?
C89 C94 C95 C86 9.4(9) . . . . ?
C89 C94 C95 C96 -162.9(6) . . . . ?
C90 C89 C94 C93 -4.7(10) . . . . ?
C90 C89 C94 C95 177.1(7) . . . . ?
C90 C91 C92 C93 -2.9(13) . . . . ?
C91 C92 C93 C94 -0.4(12) . . . . ?
C92 C93 C94 C89 4.1(10) . . . . ?
C92 C93 C94 C95 -177.7(7) . . . . ?
C93 C94 C95 C86 -168.8(6) . . . . ?
C93 C94 C95 C96 18.9(9) . . . . ?
C94 C89 C90 C91 1.5(12) . . . . ?
C94 C95 C96 N6 -178.6(6) . . . . ?
C95 C86 C87 C88 1.9(10) . . . . ?
C96 N6 C97 C98 26.0(10) . . . . ?
C96 N6 C97 C102 150.8(6) . . . . ?
C97 N6 C96 C95 -176.1(6) . . . . ?
C97 C98 C99 C100 -53.2(11) . . . . ?
C98 C97 C102 O10 177.7(5) . . . . ?
C98 C97 C102 C101 -58.0(8) . . . . ?
C98 C99 C100 C101 55.1(11) . . . . ?
C99 C100 C101 C102 -56.4(10) . . . . ?
C100 C101 C102 O10 179.9(7) . . . . ?
C100 C101 C102 C97 58.0(9) . . . . ?
C102 C97 C98 C99 53.6(9) . . . . ?
C108 N2 C28 C27 178.9(6) . . . . ?
C108 C30 C31 C32 -57.7(10) . . . . ?

_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 1.845
_oxdiff_exptl_absorpt_empirical_full_min 0.606
_exptl_crystal_preparation       'Magnetic properties'
