# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_20201011-lfp-lj-4021
_database_code_depnum_ccdc_archive 'CCDC 2091294'
loop_
_audit_author_name
_audit_author_address
'Hai-Ling Wang'
;Guangxi Normal University
China
;
_audit_update_record             
;
2021-06-21 deposited with the CCDC.	2021-11-25 downloaded from the CCDC.
;
_audit_creation_date             2021-05-11
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C82 H116 Cl4 Dy6 N16 O22), 2(C H4 O), 4(C2 H3 N), 7(H2 O), 4(Cl)'
_chemical_formula_sum            'C174 H266 Cl12 Dy12 N36 O53'
_chemical_formula_weight         6085.61
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.4667(3)
_cell_length_b                   26.7576(4)
_cell_length_c                   16.1721(4)
_cell_angle_alpha                90
_cell_angle_beta                 113.181(2)
_cell_angle_gamma                90
_cell_volume                     6152.5(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    31294
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.5580
_cell_measurement_theta_min      2.3350
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.796
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59009
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2982
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_unetI/netI     0.0389
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.812
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            53113
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.812
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.648
_diffrn_reflns_theta_min         2.090
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.812
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -31.00   4.00   0.50    6.00    --   10.14 -19.00 -60.00   70
  2  ω     -9.00  19.00   0.50    6.00    --   -9.28 -99.00 -90.00   56
  3  ω     12.00  60.00   0.50    6.00    --   10.14-117.00-147.00   96
  4  ω     35.00  60.00   0.50    6.00    --   10.14-161.00  61.00   50
  5  ω    -22.00  30.00   0.50    6.00    --   10.14 -99.00  60.00  104
  6  ω    -20.00  30.00   0.50    6.00    --   -9.28 -99.00  90.00  100
  7  ω    -70.00   3.00   0.50    6.00    --   10.14 -19.00 -90.00  146
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0003307000
_diffrn_orient_matrix_UB_12      -0.0062237000
_diffrn_orient_matrix_UB_13      0.0427915000
_diffrn_orient_matrix_UB_21      -0.0077368000
_diffrn_orient_matrix_UB_22      -0.0254532000
_diffrn_orient_matrix_UB_23      -0.0130672000
_diffrn_orient_matrix_UB_31      0.0492517000
_diffrn_orient_matrix_UB_32      -0.0039655000
_diffrn_orient_matrix_UB_33      0.0166858000
_diffrn_oxdiff_digest_frames     
;
01c09b0d4222403f8d46308d46235051b9000254f97
;
_diffrn_oxdiff_digest_hkl        
;
01182b74182b9b4d999c1b310e67f80af992ae
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12744
_reflns_number_total             15438
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         1.681
_refine_diff_density_min         -1.261
_refine_diff_density_rms         0.210
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     735
_refine_ls_number_reflns         15438
_refine_ls_number_restraints     1588
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.036
_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)+(0.0728P)²+11.5859P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1133
_refine_ls_wR_factor_ref         0.1233
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H3 of O3, H2 of O2, All C(H,H) groups, All C(H,H,H,H)
  groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H8 of O8, H11 of O11, H12 of O12, All O(H,H) groups
2. Restrained distances
 O12-C46
 1.45 with sigma of 0.01
 O8-H8
 0.85 with sigma of 0.01
 O11-H11
 0.85 with sigma of 0.01
 C47-C38 = C41-C38
 1.46 with sigma of 0.01
 N10-C1AA = N9-C42
 1.15 with sigma of 0.01
 C45-C1AA = C43-C42
 1.46 with sigma of 0.01
 C33-H11
 1.971364 with sigma of 0.02
 Dy2-H8
 2.917456 with sigma of 0.02
 Dy3-H11
 3.120902 with sigma of 0.02
 C12-H8
 1.902208 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Others
 Sof(N10)=Sof(C1AA)=Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(H45C)=1-FVAR(1)
 Sof(N9)=Sof(C42)=Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=FVAR(1)
 Sof(H38C)=Sof(H38D)=Sof(C47)=Sof(H47A)=Sof(H47B)=Sof(H47C)=1-FVAR(2)
 Sof(H38A)=Sof(H38B)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(H41C)=FVAR(2)
 Fixed Sof: O12(0.5) H12(0.5) O13(0.5) H13A(0.5) H13B(0.5) C46(0.5) H46A(0.5)
 H46B(0.5) H46C(0.5) O14(0.5) H14A(0.5) H14B(0.5) O15(0.25) H15A(0.25)
 H15B(0.25) O16(0.25) H16A(0.25) H16B(0.25) O17(0.25) H17A(0.25) H17B(0.25)
6.a Riding coordinates:
 O10(H10A,H10B), C41(H41A,H41B,H41C), C45(H45A,H45B,H45C), O13(H13A,H13B),
 C47(H47A,H47B,H47C), O14(H14A,H14B), O15(H15A,H15B), O16(H16A,H16B), O17(H17A,
 H17B)
6.b Ternary CH refined with riding coordinates:
 O2(H2), O3(H3), N6(H6)
6.c Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C28(H28A,H28B), C38(H38A,H38B), C38(H38C,H38D), C40(H40A,H40B)
6.d Me refined with riding coordinates:
 C12(H12A,H12B,H12C), C27(H27A,H27B,H27C), C34(H34A,H34B,H34C), C39(H39A,H39B,
 H39C), C43(H43A,H43B,H43C)
6.e Aromatic/amide H refined with riding coordinates:
 N3(H3A), N5(H5), C1(H1), C8(H8A), C11(H11A), C14(H14), C16(H16), C19(H19),
 C20(H20), C22(H22), C23(H23), C24(H24), C29(H29), C30(H30), C31(H31), C35(H35)
6.f Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C36(H36A,H36B,H36C), C37(H37A,H37B,
 H37C), C46(H46A,H46B,H46C)
6.g Idealised tetrahedral OH refined as rotating group:
 O12(H12)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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 0.73882(2) 0.52517(2) 0.57203(2) 0.02101(7) Uani 1 1 d . U . . .
Dy2 Dy 0.52594(2) 0.43124(2) 0.50665(2) 0.02024(7) Uani 1 1 d D U . . .
Dy3 Dy 0.66075(2) 0.65124(2) 0.65035(2) 0.02556(7) Uani 1 1 d D U . . .
O1 O 0.4280(2) 0.36637(12) 0.5037(2) 0.0248(7) Uani 1 1 d . U . . .
O2 O 0.4254(2) 0.48810(12) 0.5315(2) 0.0217(6) Uani 1 1 d . U . . .
H2 H 0.432005 0.487369 0.594346 0.026 Uiso 1 1 calc R . . . .
O3 O 0.6235(2) 0.56262(11) 0.6193(2) 0.0217(6) Uani 1 1 d . U . . .
H3 H 0.618730 0.545100 0.670521 0.026 Uiso 1 1 calc R . . . .
O4 O 0.4374(2) 0.58271(14) 0.6189(3) 0.0335(8) Uani 1 1 d . U . . .
O5 O 0.5370(3) 0.64240(13) 0.6931(3) 0.0352(8) Uani 1 1 d . U . . .
O6 O 0.7750(2) 0.60934(13) 0.6131(3) 0.0289(7) Uani 1 1 d . U . . .
O7 O 0.5977(2) 0.72556(13) 0.6018(3) 0.0318(8) Uani 1 1 d . U . . .
O8 O 0.5730(3) 0.43624(15) 0.6670(3) 0.0376(9) Uani 1 1 d D U . . .
H8 H 0.5282(13) 0.437(2) 0.6862(14) 0.056 Uiso 1 1 d DR . . . .
O9 O 0.6914(2) 0.44200(12) 0.5621(2) 0.0248(7) Uani 1 1 d . U . . .
N1 N 0.8656(3) 0.45896(16) 0.5832(3) 0.0262(8) Uani 1 1 d . U . . .
O10 O 0.7480(3) 0.60576(15) 0.7841(3) 0.0451(11) Uani 1 1 d . U . . .
H10A H 0.746533 0.621300 0.829478 0.068 Uiso 1 1 d R . . . .
H10B H 0.736823 0.575580 0.793568 0.068 Uiso 1 1 d R . . . .
N2 N 0.6224(3) 0.35418(15) 0.5630(3) 0.0279(9) Uani 1 1 d . U . . .
N3 N 0.7152(3) 0.35650(15) 0.5697(3) 0.0296(9) Uani 1 1 d . U . . .
H3A H 0.749965 0.330729 0.574232 0.036 Uiso 1 1 calc R . . . .
N4 N 0.9128(3) 0.55333(15) 0.6104(3) 0.0254(8) Uani 1 1 d . U . . .
O11 O 0.7116(3) 0.70562(15) 0.7880(3) 0.0482(11) Uani 1 1 d D U . . .
H11 H 0.753(3) 0.6977(16) 0.8402(12) 0.072 Uiso 1 1 d DR . . . .
N5 N 0.8677(3) 0.68017(16) 0.6390(3) 0.0334(10) Uani 1 1 d . U . . .
H5 H 0.920119 0.694950 0.648604 0.040 Uiso 1 1 calc R . . . .
N6 N 0.4938(3) 0.89433(15) 0.5243(3) 0.0332(10) Uani 1 1 d . U . . .
H6 H 0.435103 0.875603 0.509354 0.040 Uiso 1 1 calc R . . . .
N7 N 0.7850(3) 0.70435(16) 0.6350(3) 0.0326(10) Uani 1 1 d . U . . .
C1 C 0.6052(3) 0.31321(18) 0.5961(4) 0.0278(10) Uani 1 1 d . U . . .
H1 H 0.653081 0.289588 0.616895 0.033 Uiso 1 1 calc R . . . .
C2 C 0.4342(3) 0.32921(18) 0.5612(4) 0.0285(10) Uani 1 1 d . U . . .
C3 C 0.4774(3) 0.60942(19) 0.6872(4) 0.0316(10) Uani 1 1 d . U . . .
C4 C 0.9806(3) 0.52253(19) 0.6095(3) 0.0270(10) Uani 1 1 d . U . . .
C5 C 0.9553(3) 0.46883(19) 0.5961(4) 0.0281(10) Uani 1 1 d . U . . .
C6 C 0.5186(3) 0.30148(18) 0.6032(4) 0.0270(10) Uani 1 1 d . U . . .
C7 C 0.7424(3) 0.40217(18) 0.5683(4) 0.0265(10) Uani 1 1 d . U . . .
O12 O 0.4450(16) 0.4296(8) 0.744(2) 0.058(4) Uani 0.5 1 d D U P A 1
H12 H 0.410413 0.447437 0.758392 0.087 Uiso 0.5 1 calc GR . P A 1
C8 C 1.0702(4) 0.5402(2) 0.6224(4) 0.0375(12) Uani 1 1 d . U . . .
H8A H 1.116494 0.518149 0.621922 0.045 Uiso 1 1 calc R . . . .
C9 C 0.8534(3) 0.63274(18) 0.6262(3) 0.0270(10) Uani 1 1 d . U . . .
C10 C 0.8399(3) 0.41090(19) 0.5769(4) 0.0311(10) Uani 1 1 d . U . . .
C11 C 0.3552(4) 0.3162(2) 0.5780(4) 0.0344(11) Uani 1 1 d . U . . .
H11A H 0.301032 0.335482 0.552685 0.041 Uiso 1 1 calc R . . . .
C12 C 0.6501(4) 0.4140(3) 0.7399(4) 0.0467(15) Uani 1 1 d D U . . .
H12A H 0.647852 0.424024 0.796016 0.070 Uiso 1 1 calc R . . . .
H12B H 0.645766 0.378282 0.734688 0.070 Uiso 1 1 calc R . . . .
H12C H 0.708395 0.424888 0.737806 0.070 Uiso 1 1 calc R . . . .
C13 C 0.9320(3) 0.60197(19) 0.6244(3) 0.0270(9) Uani 1 1 d . U . . .
C14 C 0.5159(4) 0.25987(19) 0.6548(4) 0.0316(11) Uani 1 1 d . U . . .
H14 H 0.569806 0.240436 0.680439 0.038 Uiso 1 1 calc R . . . .
C15 C 0.4566(4) 0.5974(2) 0.7700(4) 0.0433(13) Uani 1 1 d . U . . .
C16 C 1.0199(3) 0.6225(2) 0.6373(4) 0.0354(11) Uani 1 1 d . U . . .
H16 H 1.030845 0.656645 0.646319 0.042 Uiso 1 1 calc R . . . .
C17 C 0.6193(3) 0.77091(18) 0.5909(4) 0.0317(11) Uani 1 1 d . U . . .
C18 C 0.4858(4) 0.9221(2) 0.4402(4) 0.0405(13) Uani 1 1 d . U . . .
H18A H 0.429710 0.942752 0.420221 0.049 Uiso 1 1 calc R . . . .
H18B H 0.539638 0.944027 0.454393 0.049 Uiso 1 1 calc R . . . .
C19 C 0.7890(4) 0.7520(2) 0.6253(4) 0.0381(12) Uani 1 1 d . U . . .
H19 H 0.846946 0.765163 0.631628 0.046 Uiso 1 1 calc R . . . .
C20 C 0.5483(3) 0.80820(18) 0.5623(4) 0.0317(11) Uani 1 1 d . U . . .
H20 H 0.486093 0.799524 0.549230 0.038 Uiso 1 1 calc R . . . .
N8 N 0.2751(4) 0.2626(2) 0.6456(5) 0.0556(13) Uani 1 1 d . U . . .
C21 C 0.5712(4) 0.85722(19) 0.5539(4) 0.0360(12) Uani 1 1 d . U . . .
C22 C 0.4377(4) 0.2466(2) 0.6691(4) 0.0386(12) Uani 1 1 d . U . . .
H22 H 0.439302 0.218602 0.703763 0.046 Uiso 1 1 calc R . . . .
C23 C 1.0891(4) 0.5909(2) 0.6361(5) 0.0448(13) Uani 1 1 d . U . . .
H23 H 1.148137 0.603357 0.644346 0.054 Uiso 1 1 calc R . . . .
C24 C 1.0199(4) 0.4319(2) 0.6008(5) 0.0433(13) Uani 1 1 d . U . . .
H24 H 1.080963 0.440216 0.608291 0.052 Uiso 1 1 calc R . . . .
C25 C 0.7129(4) 0.7864(2) 0.6056(4) 0.0379(12) Uani 1 1 d . U . . .
C26 C 0.3544(4) 0.2751(2) 0.6318(4) 0.0399(12) Uani 1 1 d . U . . .
C27 C 0.4809(5) 0.8875(3) 0.3649(5) 0.0565(18) Uani 1 1 d . U . . .
H27A H 0.475923 0.906877 0.313258 0.085 Uiso 1 1 calc R . . . .
H27B H 0.536885 0.867468 0.383879 0.085 Uiso 1 1 calc R . . . .
H27C H 0.426957 0.866193 0.349707 0.085 Uiso 1 1 calc R . . . .
C28 C 0.4998(4) 0.9303(2) 0.5967(4) 0.0426(14) Uani 1 1 d . U . . .
H28A H 0.445219 0.952092 0.575151 0.051 Uiso 1 1 calc R . . . .
H28B H 0.555328 0.950965 0.610933 0.051 Uiso 1 1 calc R . . . .
C29 C 0.7307(4) 0.8365(2) 0.5944(5) 0.0450(14) Uani 1 1 d . U . . .
H29 H 0.791970 0.845796 0.604402 0.054 Uiso 1 1 calc R . . . .
C30 C 0.6620(4) 0.8730(2) 0.5692(4) 0.0443(14) Uani 1 1 d . U . . .
H30 H 0.675655 0.906223 0.562858 0.053 Uiso 1 1 calc R . . . .
C31 C 0.9006(4) 0.3715(2) 0.5810(5) 0.0496(15) Uani 1 1 d . U . . .
H31 H 0.879871 0.338549 0.574989 0.060 Uiso 1 1 calc R . . . .
C32 C 0.4816(5) 0.6417(3) 0.8349(5) 0.0585(18) Uani 1 1 d . U . . .
H32A H 0.546180 0.650767 0.850650 0.088 Uiso 1 1 calc GR . . . .
H32B H 0.472257 0.632634 0.888187 0.088 Uiso 1 1 calc GR . . . .
H32C H 0.441932 0.669613 0.806468 0.088 Uiso 1 1 calc GR . . . .
C33 C 0.6485(5) 0.7449(3) 0.8020(5) 0.0592(18) Uani 1 1 d D U . . .
H33A H 0.584077 0.737237 0.765369 0.089 Uiso 1 1 calc GR . . . .
H33B H 0.664125 0.777060 0.785371 0.089 Uiso 1 1 calc GR . . . .
H33C H 0.657254 0.745424 0.864151 0.089 Uiso 1 1 calc GR . . . .
C34 C 0.5043(6) 0.9041(3) 0.6809(5) 0.0588(19) Uani 1 1 d . U . . .
H34A H 0.508083 0.928523 0.725712 0.088 Uiso 1 1 calc R . . . .
H34B H 0.448840 0.884174 0.667360 0.088 Uiso 1 1 calc R . . . .
H34C H 0.558891 0.883048 0.703123 0.088 Uiso 1 1 calc R . . . .
C35 C 0.9917(4) 0.3826(2) 0.5942(6) 0.0574(16) Uani 1 1 d . U . . .
H35 H 1.034168 0.357112 0.598720 0.069 Uiso 1 1 calc R . . . .
C36 C 0.3533(5) 0.5835(4) 0.7428(6) 0.075(2) Uani 1 1 d . U . . .
H36A H 0.314267 0.609462 0.705752 0.113 Uiso 1 1 calc GR . . . .
H36B H 0.340264 0.579583 0.795728 0.113 Uiso 1 1 calc GR . . . .
H36C H 0.340531 0.552673 0.709721 0.113 Uiso 1 1 calc GR . . . .
C37 C 0.5185(7) 0.5520(4) 0.8160(6) 0.082(3) Uani 1 1 d . U . . .
H37A H 0.506508 0.525258 0.773388 0.123 Uiso 1 1 calc GR . . . .
H37B H 0.503789 0.541253 0.865588 0.123 Uiso 1 1 calc GR . . . .
H37C H 0.583583 0.561357 0.837585 0.123 Uiso 1 1 calc GR . . . .
C38 C 0.1939(5) 0.2965(3) 0.6241(6) 0.0637(18) Uani 1 1 d D U . . .
H38A H 0.137719 0.277522 0.616106 0.076 Uiso 0.461(15) 1 calc R . P B 1
H38B H 0.183098 0.314527 0.568913 0.076 Uiso 0.461(15) 1 calc R . P B 1
H38C H 0.207488 0.328750 0.604613 0.076 Uiso 0.539(15) 1 calc R . P B 2
H38D H 0.179068 0.301402 0.676538 0.076 Uiso 0.539(15) 1 calc R . P B 2
C39 C 0.2584(6) 0.1698(3) 0.6323(7) 0.081(3) Uani 1 1 d . U . . .
H39A H 0.257050 0.140050 0.664935 0.121 Uiso 1 1 calc R . . . .
H39B H 0.200073 0.173028 0.580954 0.121 Uiso 1 1 calc R . . . .
H39C H 0.309355 0.167744 0.612637 0.121 Uiso 1 1 calc R . . . .
C40 C 0.2726(5) 0.2157(3) 0.6939(6) 0.0642(18) Uani 1 1 d . U . . .
H40A H 0.221653 0.217457 0.714535 0.077 Uiso 1 1 calc R . . . .
H40B H 0.331086 0.212165 0.746261 0.077 Uiso 1 1 calc R . . . .
Cl1 Cl 0.81823(9) 0.50531(5) 0.75095(9) 0.0374(3) Uani 1 1 d . U . . .
Cl2 Cl 0.74758(8) 0.54411(5) 0.41230(9) 0.0329(3) Uani 1 1 d . U . . .
C41 C 0.2156(12) 0.3323(6) 0.7006(10) 0.068(5) Uani 0.461(15) 1 d D U P B 1
H41A H 0.206950 0.316097 0.749726 0.102 Uiso 0.461(15) 1 d R . P B 1
H41B H 0.174250 0.360557 0.681216 0.102 Uiso 0.461(15) 1 d R . P B 1
H41C H 0.279610 0.343307 0.719736 0.102 Uiso 0.461(15) 1 d R . P B 1
N9 N 0.6534(17) 0.2773(11) 0.409(2) 0.083(5) Uani 0.413(11) 1 d D U P C 1
C42 C 0.7186(13) 0.2951(8) 0.4003(15) 0.076(5) Uani 0.413(11) 1 d D U P C 1
C43 C 0.8152(14) 0.2992(9) 0.4061(16) 0.095(6) Uani 0.413(11) 1 d D U P C 1
H43A H 0.822765 0.330261 0.380084 0.143 Uiso 0.413(11) 1 calc R . P C 1
H43B H 0.858127 0.297930 0.468020 0.143 Uiso 0.413(11) 1 calc R . P C 1
H43C H 0.828026 0.271946 0.373934 0.143 Uiso 0.413(11) 1 calc R . P C 1
N10 N 0.6281(10) 0.2684(5) 0.4017(9) 0.056(3) Uani 0.587(11) 1 d D U P C 2
C1AA C 0.6118(9) 0.2430(5) 0.3376(8) 0.057(3) Uani 0.587(11) 1 d D U P C 2
C45 C 0.5858(11) 0.2114(6) 0.2624(10) 0.077(4) Uani 0.587(11) 1 d D U P C 2
H45A H 0.568687 0.231311 0.208945 0.116 Uiso 0.587(11) 1 d R . P C 2
H45B H 0.533108 0.191271 0.259045 0.116 Uiso 0.587(11) 1 d R . P C 2
H45C H 0.637637 0.190081 0.267605 0.116 Uiso 0.587(11) 1 d R . P C 2
O13 O 0.6956(9) 0.9851(5) 0.4641(14) 0.123(6) Uani 0.5 1 d . U P . .
H13A H 0.692896 0.963679 0.424289 0.185 Uiso 0.5 1 d R . P . .
H13B H 0.642226 0.987239 0.467369 0.185 Uiso 0.5 1 d R . P . .
C46 C 0.4510(13) 0.3804(7) 0.7834(13) 0.081(4) Uani 0.5 1 d D U P A 1
H46A H 0.389722 0.365335 0.761322 0.121 Uiso 0.5 1 calc GR . P A 1
H46B H 0.474301 0.383421 0.847680 0.121 Uiso 0.5 1 calc GR . P A 1
H46C H 0.493016 0.359784 0.767567 0.121 Uiso 0.5 1 calc GR . P A 1
C47 C 0.1139(9) 0.2720(6) 0.5505(9) 0.081(5) Uani 0.539(15) 1 d D U P B 2
H47A H 0.132594 0.263373 0.502292 0.121 Uiso 0.539(15) 1 d R . P B 2
H47B H 0.061394 0.294493 0.528692 0.121 Uiso 0.539(15) 1 d R . P B 2
H47C H 0.096104 0.242193 0.573062 0.121 Uiso 0.539(15) 1 d R . P B 2
Cl3 Cl 0.29225(10) 0.85074(6) 0.47292(11) 0.0475(4) Uani 1 1 d . U . . .
O14 O 0.442(2) 0.4245(10) 0.729(2) 0.084(7) Uani 0.5 1 d . U P D 2
H14A H 0.436355 0.401496 0.762640 0.126 Uiso 0.5 1 d R . P D 2
H14B H 0.386985 0.429706 0.690691 0.126 Uiso 0.5 1 d R . P D 2
O15 O 0.189(2) 0.9225(12) 0.584(2) 0.098(9) Uani 0.25 1 d . U P E -1
H15A H 0.201141 0.937124 0.641613 0.147 Uiso 0.25 1 d R . P E -1
H15B H 0.127151 0.908433 0.559793 0.147 Uiso 0.25 1 d R . P E -1
O16 O 0.605(2) 0.4472(11) 0.9766(17) 0.095(8) Uani 0.25 1 d . U P . .
H16A H 0.626879 0.420509 1.005624 0.142 Uiso 0.25 1 d R . P . .
H16B H 0.647149 0.462199 0.965364 0.142 Uiso 0.25 1 d R . P . .
O17 O 0.250(2) 0.4363(14) 0.834(2) 0.125(11) Uani 0.25 1 d . U P F -1
H17A H 0.291645 0.439587 0.812514 0.187 Uiso 0.25 1 d R . P F -1
H17B H 0.256335 0.462227 0.866644 0.187 Uiso 0.25 1 d R . P F -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.9415(3) . ?
Dy1 Dy2 3.9555(3) 3_666 ?
Dy1 Dy3 3.9557(3) . ?
Dy1 O2 2.456(3) 3_666 ?
Dy1 O3 2.417(3) . ?
Dy1 O6 2.352(3) . ?
Dy1 O9 2.329(3) . ?
Dy1 N1 2.596(4) . ?
Dy1 N4 2.623(4) . ?
Dy1 Cl1 2.7139(14) . ?
Dy1 Cl2 2.6876(13) . ?
Dy2 Dy2 3.7543(4) 3_666 ?
Dy2 Dy3 3.7260(3) 3_666 ?
Dy2 O1 2.292(3) . ?
Dy2 O2 2.444(3) 3_666 ?
Dy2 O2 2.322(3) . ?
Dy2 O3 2.411(3) 3_666 ?
Dy2 O4 2.343(4) 3_666 ?
Dy2 O8 2.405(4) . ?
Dy2 O9 2.372(3) . ?
Dy2 N2 2.498(4) . ?
Dy3 O1 2.371(3) 3_666 ?
Dy3 O3 2.445(3) . ?
Dy3 O5 2.288(4) . ?
Dy3 O6 2.362(3) . ?
Dy3 O7 2.218(3) . ?
Dy3 O10 2.384(4) . ?
Dy3 O11 2.513(4) . ?
Dy3 N7 2.480(4) . ?
O1 C2 1.339(6) . ?
O4 C3 1.256(6) . ?
O5 C3 1.253(6) . ?
O6 C9 1.306(5) . ?
O7 C17 1.289(6) . ?
O8 C12 1.435(7) . ?
O9 C7 1.306(5) . ?
N1 C5 1.345(6) . ?
N1 C10 1.338(7) . ?
N2 N3 1.396(5) . ?
N2 C1 1.293(6) . ?
N3 C7 1.296(6) . ?
N4 C4 1.339(6) . ?
N4 C13 1.334(6) . ?
O11 C33 1.510(8) . ?
N5 N7 1.411(6) . ?
N5 C9 1.291(7) . ?
N6 C18 1.511(8) . ?
N6 C21 1.482(6) . ?
N6 C28 1.491(7) . ?
N7 C19 1.288(7) . ?
C1 C6 1.424(7) . ?
C2 C6 1.420(6) . ?
C2 C11 1.397(7) . ?
C3 C15 1.528(9) . ?
C4 C5 1.483(7) . ?
C4 C8 1.399(7) . ?
C5 C24 1.385(7) . ?
C6 C14 1.402(7) . ?
C7 C10 1.477(6) . ?
O12 C46 1.454(10) . ?
C8 C23 1.389(9) . ?
C9 C13 1.478(7) . ?
C10 C31 1.396(7) . ?
C11 C26 1.406(7) . ?
C13 C16 1.404(7) . ?
C14 C22 1.365(8) . ?
C15 C32 1.529(9) . ?
C15 C36 1.526(9) . ?
C15 C37 1.544(11) . ?
C16 C23 1.370(8) . ?
C17 C20 1.420(7) . ?
C17 C25 1.432(7) . ?
C18 C27 1.508(9) . ?
C19 C25 1.430(8) . ?
C20 C21 1.379(7) . ?
N8 C26 1.370(7) . ?
N8 C38 1.476(9) . ?
N8 C40 1.487(8) . ?
C21 C30 1.392(8) . ?
C22 C26 1.412(8) . ?
C24 C35 1.381(9) . ?
C25 C29 1.393(8) . ?
C28 C34 1.507(10) . ?
C29 C30 1.381(8) . ?
C31 C35 1.372(9) . ?
C38 C41 1.493(9) . ?
C38 C47 1.490(9) . ?
C39 C40 1.542(13) . ?
N9 C42 1.175(10) . ?
C42 C43 1.464(10) . ?
N10 C1AA 1.181(9) . ?
C1AA C45 1.404(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy2 Dy1 Dy2 56.771(6) . 3_666 ?
Dy2 Dy1 Dy3 107.555(6) . . ?
Dy3 Dy1 Dy2 56.196(5) . 3_666 ?
O2 Dy1 Dy2 36.35(7) 3_666 . ?
O2 Dy1 Dy2 33.03(7) 3_666 3_666 ?
O2 Dy1 Dy3 88.72(7) 3_666 . ?
O2 Dy1 N1 119.94(12) 3_666 . ?
O2 Dy1 N4 153.13(12) 3_666 . ?
O2 Dy1 Cl1 127.69(8) 3_666 . ?
O2 Dy1 Cl2 78.55(8) 3_666 . ?
O3 Dy1 Dy2 34.93(7) . 3_666 ?
O3 Dy1 Dy2 72.95(7) . . ?
O3 Dy1 Dy3 35.79(7) . . ?
O3 Dy1 O2 65.30(11) . 3_666 ?
O3 Dy1 N1 153.15(12) . . ?
O3 Dy1 N4 128.46(12) . . ?
O3 Dy1 Cl1 79.90(8) . . ?
O3 Dy1 Cl2 123.25(8) . . ?
O6 Dy1 Dy2 140.07(8) . . ?
O6 Dy1 Dy2 84.80(8) . 3_666 ?
O6 Dy1 Dy3 33.04(8) . . ?
O6 Dy1 O2 113.44(11) . 3_666 ?
O6 Dy1 O3 68.70(11) . . ?
O6 Dy1 N1 123.00(12) . . ?
O6 Dy1 N4 63.28(12) . . ?
O6 Dy1 Cl1 85.94(10) . . ?
O6 Dy1 Cl2 89.67(10) . . ?
O9 Dy1 Dy2 90.08(7) . 3_666 ?
O9 Dy1 Dy2 33.37(7) . . ?
O9 Dy1 Dy3 135.19(8) . . ?
O9 Dy1 O2 66.52(10) . 3_666 ?
O9 Dy1 O3 99.59(11) . . ?
O9 Dy1 O6 165.43(13) . . ?
O9 Dy1 N1 64.00(12) . . ?
O9 Dy1 N4 123.85(12) . . ?
O9 Dy1 Cl1 83.39(9) . . ?
O9 Dy1 Cl2 104.32(9) . . ?
N1 Dy1 Dy2 151.86(9) . 3_666 ?
N1 Dy1 Dy2 96.43(9) . . ?
N1 Dy1 Dy3 151.30(9) . . ?
N1 Dy1 N4 60.20(13) . . ?
N1 Dy1 Cl1 77.26(10) . . ?
N1 Dy1 Cl2 82.72(10) . . ?
N4 Dy1 Dy2 156.58(9) . . ?
N4 Dy1 Dy2 145.81(9) . 3_666 ?
N4 Dy1 Dy3 95.35(9) . . ?
N4 Dy1 Cl1 79.19(10) . . ?
N4 Dy1 Cl2 74.82(10) . . ?
Cl1 Dy1 Dy2 98.10(3) . . ?
Cl1 Dy1 Dy2 112.18(3) . 3_666 ?
Cl1 Dy1 Dy3 83.84(3) . . ?
Cl2 Dy1 Dy2 94.17(3) . 3_666 ?
Cl2 Dy1 Dy2 102.43(3) . . ?
Cl2 Dy1 Dy3 106.51(3) . . ?
Cl2 Dy1 Cl1 152.72(4) . . ?
Dy1 Dy2 Dy1 123.227(6) . 3_666 ?
Dy2 Dy2 Dy1 61.803(6) 3_666 . ?
Dy2 Dy2 Dy1 61.424(6) 3_666 3_666 ?
Dy3 Dy2 Dy1 61.904(6) 3_666 3_666 ?
Dy3 Dy2 Dy1 154.414(8) 3_666 . ?
Dy3 Dy2 Dy2 116.787(8) 3_666 3_666 ?
O1 Dy2 Dy1 67.95(8) . 3_666 ?
O1 Dy2 Dy1 164.58(8) . . ?
O1 Dy2 Dy2 128.06(8) . 3_666 ?
O1 Dy2 Dy3 37.69(9) . 3_666 ?
O1 Dy2 O2 91.00(11) . . ?
O1 Dy2 O2 158.51(10) . 3_666 ?
O1 Dy2 O3 68.15(11) . 3_666 ?
O1 Dy2 O4 104.17(13) . 3_666 ?
O1 Dy2 O8 88.96(13) . . ?
O1 Dy2 O9 134.88(11) . . ?
O1 Dy2 N2 71.20(12) . . ?
O2 Dy2 Dy1 36.55(7) 3_666 . ?
O2 Dy2 Dy1 94.68(8) . . ?
O2 Dy2 Dy1 35.21(8) . 3_666 ?
O2 Dy2 Dy1 92.37(7) 3_666 3_666 ?
O2 Dy2 Dy2 36.88(7) 3_666 3_666 ?
O2 Dy2 Dy2 39.19(8) . 3_666 ?
O2 Dy2 Dy3 96.54(8) . 3_666 ?
O2 Dy2 Dy3 125.74(8) 3_666 3_666 ?
O2 Dy2 O2 76.07(12) . 3_666 ?
O2 Dy2 O3 67.45(11) . 3_666 ?
O2 Dy2 O4 131.45(12) . 3_666 ?
O2 Dy2 O8 73.49(12) . . ?
O2 Dy2 O9 123.48(11) . . ?
O2 Dy2 N2 128.44(11) 3_666 . ?
O2 Dy2 N2 145.37(13) . . ?
O3 Dy2 Dy1 127.24(8) 3_666 . ?
O3 Dy2 Dy1 35.03(8) 3_666 3_666 ?
O3 Dy2 Dy2 76.85(7) 3_666 3_666 ?
O3 Dy2 Dy3 40.23(7) 3_666 3_666 ?
O3 Dy2 O2 90.85(10) 3_666 3_666 ?
O3 Dy2 N2 126.94(12) 3_666 . ?
O4 Dy2 Dy1 109.96(9) 3_666 3_666 ?
O4 Dy2 Dy1 82.67(9) 3_666 . ?
O4 Dy2 Dy2 103.04(10) 3_666 3_666 ?
O4 Dy2 Dy3 72.67(9) 3_666 3_666 ?
O4 Dy2 O2 73.61(12) 3_666 3_666 ?
O4 Dy2 O3 75.98(12) 3_666 3_666 ?
O4 Dy2 O8 150.36(12) 3_666 . ?
O4 Dy2 O9 75.73(12) 3_666 . ?
O4 Dy2 N2 82.56(14) 3_666 . ?
O8 Dy2 Dy1 78.98(10) . . ?
O8 Dy2 Dy1 99.57(9) . 3_666 ?
O8 Dy2 Dy2 88.54(9) . 3_666 ?
O8 Dy2 Dy3 126.31(10) . 3_666 ?
O8 Dy2 O2 103.33(13) . 3_666 ?
O8 Dy2 O3 133.60(12) . 3_666 ?
O8 Dy2 N2 76.64(14) . . ?
O9 Dy2 Dy1 32.68(8) . . ?
O9 Dy2 Dy1 155.75(8) . 3_666 ?
O9 Dy2 Dy2 94.42(8) . 3_666 ?
O9 Dy2 Dy3 139.51(8) . 3_666 ?
O9 Dy2 O2 66.07(10) . 3_666 ?
O9 Dy2 O3 147.55(12) . 3_666 ?
O9 Dy2 O8 76.24(13) . . ?
O9 Dy2 N2 64.00(12) . . ?
N2 Dy2 Dy1 139.04(9) . 3_666 ?
N2 Dy2 Dy1 96.45(9) . . ?
N2 Dy2 Dy2 156.00(9) . 3_666 ?
N2 Dy2 Dy3 87.20(9) . 3_666 ?
Dy2 Dy3 Dy1 61.900(5) 3_666 . ?
O1 Dy3 Dy1 67.51(8) 3_666 . ?
O1 Dy3 Dy2 36.23(8) 3_666 3_666 ?
O1 Dy3 O3 66.38(11) 3_666 . ?
O1 Dy3 O10 137.63(12) 3_666 . ?
O1 Dy3 O11 153.63(13) 3_666 . ?
O1 Dy3 N7 99.20(14) 3_666 . ?
O3 Dy3 Dy1 35.31(7) . . ?
O3 Dy3 Dy2 39.56(7) . 3_666 ?
O3 Dy3 O11 135.22(13) . . ?
O3 Dy3 N7 131.62(13) . . ?
O5 Dy3 Dy1 113.92(9) . . ?
O5 Dy3 Dy2 68.20(10) . 3_666 ?
O5 Dy3 O1 95.14(13) . 3_666 ?
O5 Dy3 O3 78.73(12) . . ?
O5 Dy3 O6 145.72(12) . . ?
O5 Dy3 O10 85.17(15) . . ?
O5 Dy3 O11 78.44(15) . . ?
O5 Dy3 N7 149.61(14) . . ?
O6 Dy3 Dy1 32.89(8) . . ?
O6 Dy3 Dy2 90.10(8) . 3_666 ?
O6 Dy3 O1 79.58(12) . 3_666 ?
O6 Dy3 O3 68.06(11) . . ?
O6 Dy3 O10 77.05(14) . . ?
O6 Dy3 O11 119.77(14) . . ?
O6 Dy3 N7 63.87(13) . . ?
O7 Dy3 Dy1 142.97(11) . . ?
O7 Dy3 Dy2 100.09(9) . 3_666 ?
O7 Dy3 O1 79.29(12) . 3_666 ?
O7 Dy3 O3 139.61(11) . . ?
O7 Dy3 O5 84.05(14) . . ?
O7 Dy3 O6 127.14(13) . . ?
O7 Dy3 O10 142.38(14) . . ?
O7 Dy3 O11 74.64(14) . . ?
O7 Dy3 N7 72.59(13) . . ?
O10 Dy3 Dy1 73.73(10) . . ?
O10 Dy3 Dy2 109.03(10) . 3_666 ?
O10 Dy3 O3 72.23(12) . . ?
O10 Dy3 O11 67.90(14) . . ?
O10 Dy3 N7 101.46(15) . . ?
O11 Dy3 Dy1 138.51(10) . . ?
O11 Dy3 Dy2 146.62(11) . 3_666 ?
N7 Dy3 Dy1 96.34(10) . . ?
N7 Dy3 Dy2 133.99(11) . 3_666 ?
N7 Dy3 O11 76.83(16) . . ?
Dy2 O1 Dy3 106.08(13) . 3_666 ?
C2 O1 Dy2 133.0(3) . . ?
C2 O1 Dy3 115.8(3) . 3_666 ?
Dy2 O2 Dy1 111.75(13) . 3_666 ?
Dy2 O2 Dy1 107.10(12) 3_666 3_666 ?
Dy2 O2 Dy2 103.93(12) . 3_666 ?
Dy1 O3 Dy3 108.90(12) . . ?
Dy2 O3 Dy1 110.04(13) 3_666 . ?
Dy2 O3 Dy3 100.21(11) 3_666 . ?
C3 O4 Dy2 130.6(3) . 3_666 ?
C3 O5 Dy3 136.8(3) . . ?
Dy1 O6 Dy3 114.07(13) . . ?
C9 O6 Dy1 127.4(3) . . ?
C9 O6 Dy3 118.1(3) . . ?
C17 O7 Dy3 142.3(3) . . ?
C12 O8 Dy2 131.6(4) . . ?
Dy1 O9 Dy2 113.94(12) . . ?
C7 O9 Dy1 127.6(3) . . ?
C7 O9 Dy2 117.3(3) . . ?
C5 N1 Dy1 125.6(3) . . ?
C10 N1 Dy1 117.1(3) . . ?
C10 N1 C5 117.3(4) . . ?
N3 N2 Dy2 116.1(3) . . ?
C1 N2 Dy2 131.3(3) . . ?
C1 N2 N3 112.2(4) . . ?
C7 N3 N2 111.8(4) . . ?
C4 N4 Dy1 123.8(3) . . ?
C13 N4 Dy1 117.4(3) . . ?
C13 N4 C4 118.6(4) . . ?
C33 O11 Dy3 122.7(4) . . ?
C9 N5 N7 110.4(4) . . ?
C21 N6 C18 112.9(5) . . ?
C21 N6 C28 112.7(4) . . ?
C28 N6 C18 110.3(4) . . ?
N5 N7 Dy3 117.2(3) . . ?
C19 N7 Dy3 131.0(4) . . ?
C19 N7 N5 111.9(4) . . ?
N2 C1 C6 125.1(4) . . ?
O1 C2 C6 121.4(4) . . ?
O1 C2 C11 119.4(4) . . ?
C11 C2 C6 119.1(5) . . ?
O4 C3 C15 116.8(5) . . ?
O5 C3 O4 124.0(5) . . ?
O5 C3 C15 119.0(5) . . ?
N4 C4 C5 115.8(4) . . ?
N4 C4 C8 121.7(5) . . ?
C8 C4 C5 122.6(4) . . ?
N1 C5 C4 114.2(4) . . ?
N1 C5 C24 123.1(5) . . ?
C24 C5 C4 122.6(4) . . ?
C2 C6 C1 124.2(5) . . ?
C14 C6 C1 118.2(4) . . ?
C14 C6 C2 117.6(4) . . ?
O9 C7 C10 116.2(4) . . ?
N3 C7 O9 125.5(4) . . ?
N3 C7 C10 118.3(4) . . ?
C23 C8 C4 119.2(5) . . ?
O6 C9 C13 116.6(4) . . ?
N5 C9 O6 125.9(4) . . ?
N5 C9 C13 117.4(4) . . ?
N1 C10 C7 114.9(4) . . ?
N1 C10 C31 123.2(5) . . ?
C31 C10 C7 121.9(5) . . ?
C2 C11 C26 122.5(5) . . ?
N4 C13 C9 114.6(4) . . ?
N4 C13 C16 123.0(5) . . ?
C16 C13 C9 122.4(5) . . ?
C22 C14 C6 122.9(5) . . ?
C3 C15 C32 110.8(5) . . ?
C3 C15 C37 106.4(5) . . ?
C32 C15 C37 109.8(7) . . ?
C36 C15 C3 110.8(5) . . ?
C36 C15 C32 109.9(6) . . ?
C36 C15 C37 109.1(7) . . ?
C23 C16 C13 118.3(5) . . ?
O7 C17 C20 119.8(4) . . ?
O7 C17 C25 123.4(5) . . ?
C20 C17 C25 116.8(5) . . ?
C27 C18 N6 112.7(5) . . ?
N7 C19 C25 126.2(5) . . ?
C21 C20 C17 120.3(5) . . ?
C26 N8 C38 123.0(5) . . ?
C26 N8 C40 120.1(5) . . ?
C38 N8 C40 116.5(5) . . ?
C20 C21 N6 117.6(5) . . ?
C20 C21 C30 123.4(5) . . ?
C30 C21 N6 119.0(5) . . ?
C14 C22 C26 120.5(5) . . ?
C16 C23 C8 119.2(5) . . ?
C35 C24 C5 118.5(5) . . ?
C19 C25 C17 122.7(5) . . ?
C29 C25 C17 119.7(5) . . ?
C29 C25 C19 117.4(5) . . ?
C11 C26 C22 117.2(5) . . ?
N8 C26 C11 121.2(5) . . ?
N8 C26 C22 121.6(5) . . ?
N6 C28 C34 112.0(5) . . ?
C30 C29 C25 123.3(5) . . ?
C29 C30 C21 116.4(5) . . ?
C35 C31 C10 118.3(6) . . ?
C31 C35 C24 119.6(6) . . ?
N8 C38 C41 107.9(9) . . ?
N8 C38 C47 106.2(8) . . ?
N8 C40 C39 111.0(7) . . ?
N9 C42 C43 158(3) . . ?
N10 C1AA C45 175.2(13) . . ?

_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 1.477
_oxdiff_exptl_absorpt_empirical_full_min 0.827
####################################################################### 
# 
# 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_20201012-lfp-lj-460_sq
_database_code_depnum_ccdc_archive 'CCDC 2120830'
loop_
_audit_author_name
_audit_author_address
'Hai-Ling Wang'
;Guangxi Normal University
China
;
_audit_update_record             
;
2021-11-21 deposited with the CCDC.	2021-11-25 downloaded from the CCDC.
;
_audit_creation_date             2021-11-11
_audit_creation_method           
;
Olex2 1.5-dev
(compiled 2021.10.14 svn.r9718050b for OlexSys, GUI svn.r6396)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C51 H64.69 Cl2.358 Dy7.997 N13.654 O28.95, 13[CH4O]'
_chemical_formula_sum            'C64 H116.69 Cl2.36 Dy8 N13.65 O41.95'
_chemical_formula_weight         3132.36
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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'

_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      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   31.8024(5)
_cell_length_b                   31.8024(5)
_cell_length_c                   32.0143(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     28041.1(11)
_cell_formula_units_Z            12
_cell_measurement_reflns_used    22141
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.6310
_cell_measurement_theta_min      2.3010
_shelx_estimated_absorpt_T_max   0.564
_shelx_estimated_absorpt_T_min   0.487
_exptl_absorpt_coefficient_mu    6.472
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.226
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             18000
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0213
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            40405
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.334
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -12.00  84.00   0.50   40.00    --   10.14  59.00-144.00  192
  2  ω    -23.00  16.00   0.50   40.00    --   10.14 -99.00  60.00   78
  3  ω    -23.00  29.00   0.50   40.00    --   -9.28 -99.00 150.00  104
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4671
_reflns_number_total             5506
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'XT 2018/3 (Sheldrick, 2015)'
_refine_diff_density_max         1.516
_refine_diff_density_min         -1.022
_refine_diff_density_rms         0.164
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         5506
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.102
_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)+(0.0421P)²+926.8146P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0981
_refine_ls_wR_factor_ref         0.1085
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Shared sites
{Cl1, O12}
{Cl2, O13}
3. Restrained distances
 N5-O8 = N5-O11
 1.25 with sigma of 0.02
 N5-O10
 1.24 with sigma of 0.02
 N5-O8 \\sim N5-O10 \\sim N5-O11
 with sigma of 0.02
 O8-O10 \\sim O10-O11 \\sim O11-O8
 with sigma of 0.04
4. Restrained planarity
 N5, O8, O10, O11
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
N5 \\sim O8 \\sim O10 \\sim O11: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
Uanis(O10) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(Cl1) = Uanis(O12)
Uanis(Cl2) = Uanis(O13)
6. Rigid body (RIGU) restrains
 N5, O8, O10, O11
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
7. Others
 Sof(O2)=Sof(N5)=Sof(O8)=Sof(O11)=1-FVAR(1)
 Sof(O6)=Sof(H10A)=Sof(H10B)=FVAR(1)
 Sof(O12)=Sof(H12A)=Sof(H12B)=1-FVAR(2)
 Sof(Cl1)=FVAR(2)
 Sof(H13A)=Sof(H13B)=1-FVAR(3)
 Sof(O13)=0.33333*(1-FVAR(4))
 Sof(Cl2)=0.33333*FVAR(4)
8.a Riding coordinates:
 O10(H10A,H10B), O12(H12A,H12B), O13(H13A,H13B)
8.b Rotating group:
 O9(H9A,H9B)
8.c Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C14(H14A,H14B)
8.d Aromatic/amide H refined with riding coordinates:
 C12(H12), C9(H9), C7(H7), C4(H4), C10(H10), C2(H2), C3(H3)
8.e Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C15(H15A,H15B,H15C)
;
_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
Dy3 Dy 0.44949(2) 0.666667 0.416667 0.03178(15) Uani 1 2 d S T P A .
Dy5 Dy 0.333333 0.43858(2) 0.416667 0.03155(15) Uani 1 2 d S T P A .
Dy2 Dy 0.333333 0.55717(2) 0.416667 0.03489(15) Uani 1 2 d S T P A .
Dy4 Dy 0.43129(2) 0.56095(2) 0.47110(2) 0.03367(13) Uani 1 1 d . . . . .
Dy1 Dy 0.333333 0.666667 0.44671(4) 0.0281(5) Uani 0.497(3) 3 d S T . . .
O4 O 0.4950(2) 0.6397(2) 0.45949(18) 0.0371(13) Uani 1 1 d . . . . .
O3 O 0.50411(19) 0.75345(18) 0.42869(17) 0.0320(12) Uani 1 1 d . . . . .
O5 O 0.39431(19) 0.60906(19) 0.46548(18) 0.0346(12) Uani 1 1 d . . . . .
O9 O 0.4301(2) 0.5065(2) 0.52275(18) 0.0417(14) Uani 1 1 d . . . . .
H9A H 0.453542 0.499256 0.518539 0.062 Uiso 1 1 d R U . . .
H9B H 0.403117 0.477311 0.520959 0.062 Uiso 1 1 d R U . . .
O1 O 0.34600(19) 0.50508(18) 0.45958(17) 0.0332(12) Uani 1 1 d . . . . .
O7 O 0.4152(2) 0.4897(2) 0.43121(17) 0.0363(13) Uani 1 1 d . . . . .
N2 N 0.5012(2) 0.5521(2) 0.4538(2) 0.0351(15) Uani 1 1 d . . . . .
N3 N 0.4925(2) 0.5045(2) 0.4461(2) 0.0356(15) Uani 1 1 d . . . . .
C13 C 0.5437(3) 0.6619(3) 0.4675(3) 0.0368(19) Uani 1 1 d . . . . .
C8 C 0.5684(3) 0.6347(3) 0.4627(3) 0.0367(18) Uani 1 1 d . . . . .
N1 N 0.3811(3) 0.3961(2) 0.4233(2) 0.0347(15) Uani 1 1 d . . . . .
C12 C 0.5693(3) 0.7102(3) 0.4783(3) 0.0393(19) Uani 1 1 d . . . . .
H12 H 0.552494 0.726933 0.481638 0.047 Uiso 1 1 calc R U . . .
N4 N 0.6448(3) 0.7833(3) 0.4952(3) 0.057(2) Uani 1 1 d . . . . .
C9 C 0.6195(3) 0.6616(3) 0.4682(3) 0.043(2) Uani 1 1 d . . . . .
H9 H 0.636713 0.645184 0.465037 0.052 Uiso 1 1 calc R U . . .
C7 C 0.5473(3) 0.5848(3) 0.4542(3) 0.0394(19) Uani 1 1 d . . . . .
H7 H 0.568684 0.573748 0.448128 0.047 Uiso 1 1 calc R U . . .
O2 O 0.4136(5) 0.7049(4) 0.4567(5) 0.044(3) Uani 0.574(14) 1 d . . P A 2
C4 C 0.4588(3) 0.4022(3) 0.4322(3) 0.042(2) Uani 1 1 d . . . . .
H4 H 0.492187 0.421220 0.436028 0.050 Uiso 1 1 calc R U . . .
C6 C 0.4469(3) 0.4757(3) 0.4358(3) 0.0348(18) Uani 1 1 d . . . . .
C10 C 0.6449(3) 0.7092(3) 0.4778(3) 0.048(2) Uani 1 1 d . . . . .
H10 H 0.678529 0.724957 0.480024 0.057 Uiso 1 1 calc R U . . .
C2 C 0.3874(4) 0.3246(3) 0.4231(3) 0.044(2) Uani 1 1 d . . . . .
H2 H 0.372570 0.290953 0.421206 0.053 Uiso 1 1 calc R U . . .
C11 C 0.6199(3) 0.7352(3) 0.4844(3) 0.044(2) Uani 1 1 d . . . . .
C1 C 0.3601(3) 0.3474(3) 0.4203(2) 0.0355(18) Uani 1 1 d . . . . .
C5 C 0.4291(3) 0.4230(3) 0.4298(2) 0.0348(18) Uani 1 1 d . . . . .
C3 C 0.4368(3) 0.3525(3) 0.4288(3) 0.045(2) Uani 1 1 d . . . . .
H3 H 0.455586 0.337609 0.430258 0.053 Uiso 1 1 calc R U . . .
C16 C 0.6203(4) 0.8106(3) 0.5016(3) 0.051(2) Uani 1 1 d . . . . .
H16A H 0.595349 0.801342 0.480455 0.061 Uiso 1 1 calc R U . . .
H16B H 0.643512 0.844876 0.497912 0.061 Uiso 1 1 calc R U . . .
C17 C 0.5976(6) 0.8032(4) 0.5436(4) 0.080(4) Uani 1 1 d . . . . .
H17A H 0.578855 0.819249 0.544856 0.120 Uiso 1 1 calc R U . . .
H17B H 0.622527 0.816487 0.564586 0.120 Uiso 1 1 calc R U . . .
H17C H 0.576794 0.769099 0.548569 0.120 Uiso 1 1 calc R U . . .
C14 C 0.6963(4) 0.8077(4) 0.5083(4) 0.068(3) Uani 1 1 d . . . . .
H14A H 0.702395 0.832049 0.529386 0.082 Uiso 1 1 calc R U . . .
H14B H 0.703843 0.784185 0.520240 0.082 Uiso 1 1 calc R U . . .
C15 C 0.7267(5) 0.8306(6) 0.4717(5) 0.109(6) Uani 1 1 d . . . . .
H15A H 0.722529 0.805988 0.452009 0.164 Uiso 1 1 calc R U . . .
H15B H 0.760149 0.848729 0.480031 0.164 Uiso 1 1 calc R U . . .
H15C H 0.717420 0.852034 0.458912 0.164 Uiso 1 1 calc R U . . .
O6 O 0.3961(5) 0.6966(4) 0.4356(5) 0.021(3) Uani 0.426(14) 1 d . . P A 1
N5 N 0.4112(4) 0.5825(5) 0.5623(4) 0.062(4) Uani 0.574(14) 1 d D U P A 2
O8 O 0.3750(5) 0.5506(5) 0.5411(5) 0.082(5) Uani 0.574(14) 1 d D U P A 2
O10 O 0.4477(3) 0.6028(3) 0.5392(2) 0.0588(17) Uani 1 1 d D U . . .
H10A H 0.423335 0.587384 0.555143 0.088 Uiso 0.426(14) 1 d R U P A 1
H10B H 0.449885 0.630384 0.535942 0.088 Uiso 0.426(14) 1 d R U P A 1
O11 O 0.4067(8) 0.5898(7) 0.5989(5) 0.129(9) Uani 0.574(14) 1 d D U P A 2
Cl1 Cl 0.31666(17) 0.40720(14) 0.49648(14) 0.082(2) Uani 0.67(2) 1 d . . P A 3
Cl2 Cl 0.333333 0.666667 0.5225(2) 0.087(4) Uani 0.71(6) 3 d S T P A 5
O12 O 0.31666(17) 0.40720(14) 0.49648(14) 0.082(2) Uani 0.33(2) 1 d . . P A 4
H12A H 0.325840 0.424390 0.519215 0.123 Uiso 0.33(2) 1 d R U P A 4
H12B H 0.301440 0.378150 0.505815 0.123 Uiso 0.33(2) 1 d R U P A 4
O13 O 0.333333 0.666667 0.5225(2) 0.087(4) Uani 0.29(6) 3 d S T P A 6
H13A H 0.354470 0.666670 0.538705 0.130 Uiso 0.29(6) 1 d R U P A 6
H13B H 0.312200 0.666670 0.538705 0.130 Uiso 0.29(6) 1 d R U P A 6


_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
Dy3 Dy4 3.5678(4) . ?
Dy3 Dy4 3.5678(4) 11_565 ?
Dy3 O4 2.440(5) . ?
Dy3 O4 2.440(5) 11_565 ?
Dy3 O3 2.447(5) . ?
Dy3 O3 2.447(5) 11_565 ?
Dy3 O5 2.380(5) 11_565 ?
Dy3 O5 2.380(5) . ?
Dy3 O2 2.412(12) 11_565 ?
Dy3 O2 2.412(12) . ?
Dy3 O6 2.403(12) 11_565 ?
Dy3 O6 2.403(12) . ?
Dy5 Dy2 3.7715(7) . ?
Dy5 Dy4 3.9701(5) . ?
Dy5 Dy4 3.9703(5) 12 ?
Dy5 O1 2.381(5) 12 ?
Dy5 O1 2.381(5) . ?
Dy5 O7 2.325(6) . ?
Dy5 O7 2.325(6) 12 ?
Dy5 N1 2.496(6) . ?
Dy5 N1 2.496(6) 12 ?
Dy5 Cl1 2.697(4) . ?
Dy5 Cl1 2.697(4) 12 ?
Dy5 O12 2.697(4) . ?
Dy2 Dy4 3.5186(4) 12 ?
Dy2 Dy4 3.5186(4) . ?
Dy2 O3 2.424(5) 3_565 ?
Dy2 O3 2.424(5) 11_565 ?
Dy2 O5 2.393(5) 12 ?
Dy2 O5 2.393(5) . ?
Dy2 O1 2.337(5) . ?
Dy2 O1 2.337(5) 12 ?
Dy2 O2 2.352(12) 11_565 ?
Dy2 O2 2.352(11) 3_565 ?
Dy2 O6 2.284(12) 3_565 ?
Dy2 O6 2.284(12) 11_565 ?
Dy4 O4 2.332(6) . ?
Dy4 O3 2.314(5) 11_565 ?
Dy4 O5 2.357(5) . ?
Dy4 O9 2.382(6) . ?
Dy4 O1 2.415(5) . ?
Dy4 O7 2.423(5) . ?
Dy4 N2 2.442(7) . ?
Dy4 O8 2.782(14) . ?
Dy4 O10 2.471(7) . ?
Dy1 O2 2.233(14) . ?
Dy1 O2 2.233(14) 2_665 ?
Dy1 O2 2.233(14) 3_565 ?
Dy1 O6 2.336(16) 11_565 ?
Dy1 O6 1.766(13) 3_565 ?
Dy1 O6 2.336(16) 10_455 ?
Dy1 O6 1.766(13) . ?
Dy1 O6 2.336(16) 12 ?
Dy1 O6 1.766(13) 2_665 ?
Dy1 Cl2 2.425(8) . ?
Dy1 O13 2.425(8) . ?
O4 C13 1.369(10) . ?
O9 H9A 0.8935 . ?
O9 H9B 0.8958 . ?
O7 C6 1.300(9) . ?
N2 N3 1.419(9) . ?
N2 C7 1.304(11) . ?
N3 C6 1.312(11) . ?
C13 C8 1.438(11) . ?
C13 C12 1.375(12) . ?
C8 C9 1.419(12) . ?
C8 C7 1.406(12) . ?
N1 C1 1.349(10) . ?
N1 C5 1.341(11) . ?
C12 H12 0.9300 . ?
C12 C11 1.409(12) . ?
N4 C11 1.369(12) . ?
N4 C16 1.441(12) . ?
N4 C14 1.482(13) . ?
C9 H9 0.9300 . ?
C9 C10 1.349(13) . ?
C7 H7 0.9300 . ?
C4 H4 0.9300 . ?
C4 C5 1.403(11) . ?
C4 C3 1.375(12) . ?
C6 C5 1.487(11) . ?
C10 H10 0.9300 . ?
C10 C11 1.419(13) . ?
C2 H2 0.9300 . ?
C2 C1 1.385(12) . ?
C2 C3 1.378(13) . ?
C1 C1 1.493(17) 12 ?
C3 H3 0.9300 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.490(16) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.462(18) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
N5 O8 1.282(11) . ?
N5 O10 1.250(10) . ?
N5 O11 1.216(11) . ?
O10 H10A 0.8499 . ?
O10 H10B 0.8502 . ?
Cl2 H13A 1(10) 3_565 ?
Cl2 H13A 1(10) 2_665 ?
Cl2 H13B 1(10) 2_665 ?
Cl2 H13B 1(10) 3_565 ?
O12 H12A 0.8686 . ?
O12 H12B 0.8544 . ?
O13 H13A 0.8500 . ?
O13 H13A 1(10) 3_565 ?
O13 H13A 1(10) 2_665 ?
O13 H13B 1(10) 3_565 ?
O13 H13B 1(10) 2_665 ?
O13 H13B 0.8500 . ?

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
Dy4 Dy3 Dy4 144.016(19) 11_565 . ?
O4 Dy3 Dy4 106.61(13) 11_565 . ?
O4 Dy3 Dy4 106.61(13) . 11_565 ?
O4 Dy3 Dy4 40.47(13) 11_565 11_565 ?
O4 Dy3 Dy4 40.46(13) . . ?
O4 Dy3 O4 79.5(3) . 11_565 ?
O4 Dy3 O3 71.23(18) 11_565 . ?
O4 Dy3 O3 71.24(18) . 11_565 ?
O4 Dy3 O3 95.58(18) 11_565 11_565 ?
O4 Dy3 O3 95.58(18) . . ?
O3 Dy3 Dy4 40.06(13) 11_565 . ?
O3 Dy3 Dy4 132.47(13) . . ?
O3 Dy3 Dy4 132.47(13) 11_565 11_565 ?
O3 Dy3 Dy4 40.06(13) . 11_565 ?
O3 Dy3 O3 163.2(2) . 11_565 ?
O5 Dy3 Dy4 166.84(13) . 11_565 ?
O5 Dy3 Dy4 40.89(13) 11_565 11_565 ?
O5 Dy3 Dy4 40.89(13) . . ?
O5 Dy3 Dy4 166.84(13) 11_565 . ?
O5 Dy3 O4 72.47(19) . . ?
O5 Dy3 O4 147.49(18) 11_565 . ?
O5 Dy3 O4 72.47(19) 11_565 11_565 ?
O5 Dy3 O4 147.50(18) . 11_565 ?
O5 Dy3 O3 60.23(18) 11_565 . ?
O5 Dy3 O3 60.23(18) . 11_565 ?
O5 Dy3 O3 126.83(18) . . ?
O5 Dy3 O3 126.83(18) 11_565 11_565 ?
O5 Dy3 O5 138.7(3) 11_565 . ?
O5 Dy3 O2 71.7(3) 11_565 11_565 ?
O5 Dy3 O2 78.5(4) . 11_565 ?
O5 Dy3 O2 71.7(3) . . ?
O5 Dy3 O2 78.6(3) 11_565 . ?
O5 Dy3 O6 75.2(3) 11_565 11_565 ?
O5 Dy3 O6 67.5(3) 11_565 . ?
O5 Dy3 O6 67.6(3) . 11_565 ?
O5 Dy3 O6 75.2(3) . . ?
O2 Dy3 Dy4 108.8(3) . . ?
O2 Dy3 Dy4 97.3(3) 11_565 . ?
O2 Dy3 O4 113.1(4) . . ?
O2 Dy3 O4 136.3(3) . 11_565 ?
O2 Dy3 O4 136.3(3) 11_565 . ?
O2 Dy3 O4 113.1(4) 11_565 11_565 ?
O2 Dy3 O3 128.0(3) 11_565 . ?
O2 Dy3 O3 66.2(3) . . ?
O6 Dy3 Dy4 115.9(3) . . ?
O6 Dy3 Dy4 97.0(3) . 11_565 ?
O6 Dy3 Dy4 115.9(3) 11_565 11_565 ?
O6 Dy3 Dy4 97.0(3) 11_565 . ?
O6 Dy3 O4 137.1(3) . 11_565 ?
O6 Dy3 O4 131.2(4) . . ?
O6 Dy3 O4 131.2(4) 11_565 11_565 ?
O6 Dy3 O4 137.1(3) 11_565 . ?
O6 Dy3 O3 120.5(3) 11_565 . ?
O6 Dy3 O3 75.9(3) . . ?
O6 Dy3 O3 75.9(3) 11_565 11_565 ?
O6 Dy3 O3 120.5(3) . 11_565 ?
O6 Dy3 O2 19.8(3) 11_565 11_565 ?
O6 Dy3 O2 68.1(7) . 11_565 ?
O6 Dy3 O6 50.5(7) . 11_565 ?
Dy2 Dy5 Dy4 53.990(8) . 12 ?
Dy2 Dy5 Dy4 53.992(8) . . ?
Dy4 Dy5 Dy4 107.982(16) . 12 ?
O1 Dy5 Dy2 36.53(13) 12 . ?
O1 Dy5 Dy2 36.53(13) . . ?
O1 Dy5 Dy4 83.13(13) . 12 ?
O1 Dy5 Dy4 83.13(13) 12 . ?
O1 Dy5 Dy4 34.40(13) . . ?
O1 Dy5 Dy4 34.39(13) 12 12 ?
O1 Dy5 O1 73.1(3) . 12 ?
O1 Dy5 N1 123.6(2) . . ?
O1 Dy5 N1 143.7(2) 12 . ?
O1 Dy5 N1 143.7(2) . 12 ?
O1 Dy5 N1 123.6(2) 12 12 ?
O1 Dy5 Cl1 137.72(14) 12 . ?
O1 Dy5 Cl1 72.35(15) 12 12 ?
O1 Dy5 Cl1 72.35(15) . . ?
O1 Dy5 Cl1 137.72(14) . 12 ?
O1 Dy5 O12 137.72(14) 12 . ?
O1 Dy5 O12 72.35(15) . . ?
O7 Dy5 Dy2 82.01(13) . . ?
O7 Dy5 Dy2 82.01(13) 12 . ?
O7 Dy5 Dy4 131.70(13) 12 . ?
O7 Dy5 Dy4 131.70(13) . 12 ?
O7 Dy5 Dy4 34.04(13) 12 12 ?
O7 Dy5 Dy4 34.04(13) . . ?
O7 Dy5 O1 68.33(18) . . ?
O7 Dy5 O1 98.39(19) . 12 ?
O7 Dy5 O1 98.39(19) 12 . ?
O7 Dy5 O1 68.33(18) 12 12 ?
O7 Dy5 O7 164.0(3) 12 . ?
O7 Dy5 N1 65.7(2) . . ?
O7 Dy5 N1 65.7(2) 12 12 ?
O7 Dy5 N1 130.2(2) 12 . ?
O7 Dy5 N1 130.2(2) . 12 ?
O7 Dy5 Cl1 93.57(17) 12 . ?
O7 Dy5 Cl1 90.76(17) 12 12 ?
O7 Dy5 Cl1 90.75(17) . . ?
O7 Dy5 Cl1 93.58(17) . 12 ?
O7 Dy5 O12 93.57(17) 12 . ?
O7 Dy5 O12 90.75(17) . . ?
N1 Dy5 Dy2 147.72(16) . . ?
N1 Dy5 Dy2 147.72(15) 12 . ?
N1 Dy5 Dy4 153.22(15) . 12 ?
N1 Dy5 Dy4 153.22(15) 12 . ?
N1 Dy5 Dy4 95.82(15) 12 12 ?
N1 Dy5 Dy4 95.82(15) . . ?
N1 Dy5 N1 64.6(3) 12 . ?
N1 Dy5 Cl1 76.20(18) . 12 ?
N1 Dy5 Cl1 77.24(17) . . ?
N1 Dy5 Cl1 77.24(17) 12 12 ?
N1 Dy5 Cl1 76.20(18) 12 . ?
N1 Dy5 O12 77.24(17) . . ?
N1 Dy5 O12 76.20(18) 12 . ?
Cl1 Dy5 Dy2 105.76(8) 12 . ?
Cl1 Dy5 Dy2 105.76(8) . . ?
Cl1 Dy5 Dy4 117.37(9) 12 . ?
Cl1 Dy5 Dy4 81.93(10) . . ?
O12 Dy5 Dy2 105.76(8) . . ?
O12 Dy5 Dy4 81.93(10) . . ?
Dy4 Dy2 Dy4 131.778(19) 12 . ?
O3 Dy2 Dy4 40.85(13) 3_565 12 ?
O3 Dy2 Dy4 123.35(13) 11_565 12 ?
O3 Dy2 Dy4 123.34(13) 3_565 . ?
O3 Dy2 Dy4 40.85(13) 11_565 . ?
O3 Dy2 O3 150.7(2) 3_565 11_565 ?
O5 Dy2 Dy4 167.89(13) 12 . ?
O5 Dy2 Dy4 41.81(13) . . ?
O5 Dy2 Dy4 167.89(13) . 12 ?
O5 Dy2 Dy4 41.81(13) 12 12 ?
O5 Dy2 O3 60.38(18) . 11_565 ?
O5 Dy2 O3 129.65(18) . 3_565 ?
O5 Dy2 O3 60.39(18) 12 3_565 ?
O5 Dy2 O3 129.65(18) 12 11_565 ?
O5 Dy2 O5 146.9(3) . 12 ?
O1 Dy2 Dy4 43.08(13) . . ?
O1 Dy2 Dy4 94.64(13) 12 . ?
O1 Dy2 Dy4 94.63(13) . 12 ?
O1 Dy2 Dy4 43.08(13) 12 12 ?
O1 Dy2 O3 81.25(18) . 3_565 ?
O1 Dy2 O3 75.50(18) 12 3_565 ?
O1 Dy2 O3 81.26(18) 12 11_565 ?
O1 Dy2 O3 75.51(18) . 11_565 ?
O1 Dy2 O5 135.63(19) . 12 ?
O1 Dy2 O5 135.63(19) 12 . ?
O1 Dy2 O5 74.78(19) . . ?
O1 Dy2 O5 74.78(19) 12 12 ?
O1 Dy2 O1 74.7(3) 12 . ?
O1 Dy2 O2 107.1(5) . 3_565 ?
O1 Dy2 O2 141.9(3) . 11_565 ?
O1 Dy2 O2 141.9(3) 12 3_565 ?
O1 Dy2 O2 107.1(5) 12 11_565 ?
O2 Dy2 Dy4 99.8(3) 11_565 . ?
O2 Dy2 Dy4 112.6(3) 3_565 . ?
O2 Dy2 O5 79.5(4) 11_565 . ?
O2 Dy2 O5 78.2(3) 3_565 . ?
O6 Dy2 Dy4 100.8(3) 3_565 12 ?
O6 Dy2 Dy4 100.8(3) 11_565 . ?
O6 Dy2 Dy4 122.1(3) 11_565 12 ?
O6 Dy2 Dy4 122.1(3) 3_565 . ?
O6 Dy2 O3 130.0(4) 3_565 11_565 ?
O6 Dy2 O3 78.6(4) 3_565 3_565 ?
O6 Dy2 O3 130.0(4) 11_565 3_565 ?
O6 Dy2 O3 78.6(4) 11_565 11_565 ?
O6 Dy2 O5 69.2(3) 3_565 12 ?
O6 Dy2 O5 69.3(3) 11_565 . ?
O6 Dy2 O5 81.6(3) 11_565 12 ?
O6 Dy2 O5 81.6(3) 3_565 . ?
O6 Dy2 O1 127.0(4) 3_565 . ?
O6 Dy2 O1 142.7(3) 3_565 12 ?
O6 Dy2 O1 127.0(4) 11_565 12 ?
O6 Dy2 O1 142.8(3) 11_565 . ?
O6 Dy2 O2 75.1(7) 11_565 3_565 ?
O6 Dy2 O2 20.5(3) 3_565 3_565 ?
O6 Dy2 O2 20.5(3) 11_565 11_565 ?
O6 Dy2 O2 75.1(7) 3_565 11_565 ?
O6 Dy2 O6 57.0(8) 3_565 11_565 ?
Dy3 Dy4 Dy5 112.796(11) . . ?
Dy2 Dy4 Dy3 60.924(11) . . ?
Dy2 Dy4 Dy5 60.121(11) . . ?
O4 Dy4 Dy3 42.77(13) . . ?
O4 Dy4 Dy5 144.79(15) . . ?
O4 Dy4 Dy2 103.70(13) . . ?
O4 Dy4 O5 74.84(18) . . ?
O4 Dy4 O9 125.5(2) . . ?
O4 Dy4 O1 144.97(18) . . ?
O4 Dy4 O7 125.7(2) . . ?
O4 Dy4 N2 74.7(2) . . ?
O4 Dy4 O8 114.6(3) . . ?
O4 Dy4 O10 74.1(2) . . ?
O3 Dy4 Dy3 42.90(13) 11_565 . ?
O3 Dy4 Dy5 72.12(12) 11_565 . ?
O3 Dy4 Dy2 43.26(13) 11_565 . ?
O3 Dy4 O4 75.56(19) 11_565 . ?
O3 Dy4 O5 62.48(19) 11_565 . ?
O3 Dy4 O9 153.18(19) 11_565 . ?
O3 Dy4 O1 76.12(18) 11_565 . ?
O3 Dy4 O7 77.33(18) 11_565 . ?
O3 Dy4 N2 97.2(2) 11_565 . ?
O3 Dy4 O8 125.1(3) 11_565 . ?
O3 Dy4 O10 133.4(2) 11_565 . ?
O5 Dy4 Dy3 41.37(13) . . ?
O5 Dy4 Dy5 101.61(13) . . ?
O5 Dy4 Dy2 42.60(13) . . ?
O5 Dy4 O9 133.9(2) . . ?
O5 Dy4 O1 74.01(17) . . ?
O5 Dy4 O7 128.80(18) . . ?
O5 Dy4 N2 146.8(2) . . ?
O5 Dy4 O8 68.8(4) . . ?
O5 Dy4 O10 75.9(2) . . ?
O9 Dy4 Dy3 163.90(15) . . ?
O9 Dy4 Dy5 82.66(15) . . ?
O9 Dy4 Dy2 128.83(15) . . ?
O9 Dy4 O1 88.11(19) . . ?
O9 Dy4 O7 76.48(19) . . ?
O9 Dy4 N2 76.0(2) . . ?
O9 Dy4 O8 65.1(4) . . ?
O9 Dy4 O10 72.7(2) . . ?
O1 Dy4 Dy3 102.25(12) . . ?
O1 Dy4 Dy5 33.86(12) . . ?
O1 Dy4 Dy2 41.38(12) . . ?
O1 Dy4 O7 66.24(18) . . ?
O1 Dy4 N2 129.3(2) . . ?
O1 Dy4 O8 67.5(3) . . ?
O1 Dy4 O10 112.9(2) . . ?
O7 Dy4 Dy3 118.89(13) . . ?
O7 Dy4 Dy5 32.48(13) . . ?
O7 Dy4 Dy2 86.43(13) . . ?
O7 Dy4 N2 63.3(2) . . ?
O7 Dy4 O8 119.4(3) . . ?
O7 Dy4 O10 149.1(2) . . ?
N2 Dy4 Dy3 105.68(15) . . ?
N2 Dy4 Dy5 95.79(16) . . ?
N2 Dy4 Dy2 136.55(16) . . ?
N2 Dy4 O8 137.6(3) . . ?
N2 Dy4 O10 107.6(2) . . ?
O8 Dy4 Dy3 107.2(3) . . ?
O8 Dy4 Dy5 95.4(3) . . ?
O8 Dy4 Dy2 83.6(3) . . ?
O10 Dy4 Dy3 91.83(17) . . ?
O10 Dy4 Dy5 140.04(17) . . ?
O10 Dy4 Dy2 113.60(16) . . ?
O10 Dy4 O8 45.8(3) . . ?
O2 Dy1 O2 118.0(2) 2_665 . ?
O2 Dy1 O2 118.0(2) 3_565 . ?
O6 Dy1 Dy2 116.7(3) 11_565 3_565 ?
O6 Dy1 Dy2 38.0(3) 12 3_565 ?
O6 Dy1 Dy2 140.9(5) . 3_565 ?
O6 Dy1 Dy2 78.6(3) 10_455 3_565 ?
O6 Dy1 Dy2 85.5(4) 3_565 3_565 ?
O6 Dy1 Dy2 30.9(4) 2_665 3_565 ?
O6 Dy1 O2 19.8(5) 3_565 3_565 ?
O6 Dy1 O2 120.9(5) 3_565 2_665 ?
O6 Dy1 O2 120.9(5) . 2_665 ?
O6 Dy1 O2 19.8(5) 2_665 2_665 ?
O6 Dy1 O2 120.9(5) . 3_565 ?
O6 Dy1 O2 120.9(5) 2_665 3_565 ?
O6 Dy1 O6 126.1(4) 3_565 10_455 ?
O6 Dy1 O6 116.1(3) 2_665 3_565 ?
O6 Dy1 O6 58.0(7) 3_565 12 ?
O6 Dy1 O6 62.4(7) . 10_455 ?
O6 Dy1 O6 116.1(3) 3_565 . ?
O6 Dy1 O6 79.8(5) 12 10_455 ?
O6 Dy1 O6 58.0(7) 2_665 10_455 ?
O6 Dy1 O6 126.1(4) 2_665 11_565 ?
O6 Dy1 O6 116.1(3) 2_665 . ?
O6 Dy1 O6 62.4(7) 3_565 11_565 ?
O6 Dy1 O6 62.3(7) 2_665 12 ?
O6 Dy1 O6 58.0(7) . 11_565 ?
O6 Dy1 O6 126.1(4) . 12 ?
O6 Dy1 O6 79.8(5) 12 11_565 ?
O6 Dy1 O6 79.8(5) 10_455 11_565 ?
Dy4 O4 Dy3 96.8(2) . . ?
C13 O4 Dy3 129.9(5) . . ?
C13 O4 Dy4 132.6(5) . . ?
Dy2 O3 Dy3 95.05(18) 2_665 . ?
Dy4 O3 Dy3 97.04(19) 11_565 . ?
Dy4 O3 Dy2 95.89(19) 11_565 2_665 ?
Dy3 O5 Dy2 97.7(2) . . ?
Dy4 O5 Dy3 97.7(2) . . ?
Dy4 O5 Dy2 95.59(19) . . ?
Dy4 O9 H9A 111.7 . . ?
Dy4 O9 H9B 111.6 . . ?
H9A O9 H9B 102.4 . . ?
Dy5 O1 Dy4 111.7(2) . . ?
Dy2 O1 Dy5 106.1(2) . . ?
Dy2 O1 Dy4 95.54(18) . . ?
Dy5 O7 Dy4 113.5(2) . . ?
C6 O7 Dy5 125.0(5) . . ?
C6 O7 Dy4 115.1(5) . . ?
N3 N2 Dy4 117.4(5) . . ?
C7 N2 Dy4 129.0(6) . . ?
C7 N2 N3 113.3(7) . . ?
C6 N3 N2 110.3(6) . . ?
O4 C13 C8 119.2(7) . . ?
O4 C13 C12 120.5(7) . . ?
C12 C13 C8 120.2(8) . . ?
C9 C8 C13 115.5(8) . . ?
C7 C8 C13 127.0(8) . . ?
C7 C8 C9 117.5(8) . . ?
C1 N1 Dy5 121.9(5) . . ?
C5 N1 Dy5 118.3(5) . . ?
C5 N1 C1 119.8(7) . . ?
C13 C12 H12 118.8 . . ?
C13 C12 C11 122.4(8) . . ?
C11 C12 H12 118.8 . . ?
C11 N4 C16 121.7(8) . . ?
C11 N4 C14 121.8(8) . . ?
C16 N4 C14 115.6(8) . . ?
C8 C9 H9 117.7 . . ?
C10 C9 C8 124.5(8) . . ?
C10 C9 H9 117.7 . . ?
N2 C7 C8 128.0(8) . . ?
N2 C7 H7 116.0 . . ?
C8 C7 H7 116.0 . . ?
Dy2 O2 Dy3 97.9(5) 2_665 . ?
Dy1 O2 Dy3 110.5(6) . . ?
Dy1 O2 Dy2 104.0(6) . 2_665 ?
C5 C4 H4 121.2 . . ?
C3 C4 H4 121.2 . . ?
C3 C4 C5 117.6(9) . . ?
O7 C6 N3 124.5(7) . . ?
O7 C6 C5 116.5(7) . . ?
N3 C6 C5 119.0(7) . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 119.6(8) . . ?
C11 C10 H10 120.2 . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C3 C2 C1 118.9(8) . . ?
C12 C11 C10 117.7(8) . . ?
N4 C11 C12 121.6(8) . . ?
N4 C11 C10 120.7(8) . . ?
N1 C1 C2 121.1(8) . . ?
N1 C1 C1 115.8(5) . 12 ?
C2 C1 C1 123.1(5) . 12 ?
N1 C5 C4 121.8(8) . . ?
N1 C5 C6 114.3(7) . . ?
C4 C5 C6 123.9(8) . . ?
C4 C3 C2 120.8(8) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
N4 C16 H16A 108.9 . . ?
N4 C16 H16B 108.9 . . ?
N4 C16 C17 113.4(9) . . ?
H16A C16 H16B 107.7 . . ?
C17 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N4 C14 H14A 110.0 . . ?
N4 C14 H14B 110.0 . . ?
H14A C14 H14B 108.4 . . ?
C15 C14 N4 108.4(10) . . ?
C15 C14 H14A 110.0 . . ?
C15 C14 H14B 110.0 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Dy2 O6 Dy3 100.1(5) 2_665 . ?
Dy2 O6 Dy1 102.9(6) 2_665 10_455 ?
Dy2 O6 Dy1 102.9(6) 2_665 11_565 ?
Dy2 O6 Dy1 102.9(6) 2_665 12 ?
Dy1 O6 Dy3 132.0(6) . . ?
Dy1 O6 Dy3 107.3(5) 12 . ?
Dy1 O6 Dy3 107.3(5) 11_565 . ?
Dy1 O6 Dy3 107.3(5) 10_455 . ?
Dy1 O6 Dy2 125.8(6) . 2_665 ?
Dy1 O6 Dy1 0.0 10_455 12 ?
Dy1 O6 Dy1 53.8(4) . 12 ?
Dy1 O6 Dy1 0.0 10_455 11_565 ?
Dy1 O6 Dy1 53.8(4) . 11_565 ?
Dy1 O6 Dy1 0.0 12 11_565 ?
Dy1 O6 Dy1 53.8(4) . 10_455 ?
O10 N5 O8 109.3(11) . . ?
O11 N5 O8 121.1(14) . . ?
O11 N5 O10 129.6(14) . . ?
N5 O8 Dy4 93.6(8) . . ?
Dy4 O10 H10A 109.4 . . ?
Dy4 O10 H10B 109.5 . . ?
N5 O10 Dy4 110.6(7) . . ?
H10A O10 H10B 104.5 . . ?
Dy1 Cl2 H13A 128(10) . 3_565 ?
Dy1 Cl2 H13A 128(10) . 2_665 ?
Dy1 Cl2 H13B 128(10) . 2_665 ?
Dy1 Cl2 H13B 128(10) . 3_565 ?
H13A Cl2 H13B 46.6 3_565 2_665 ?
H13A Cl2 H13B 104.5 3_565 3_565 ?
H13A Cl2 H13B 104.5 2_665 2_665 ?
H13A Cl2 H13B 46.6 2_665 3_565 ?
H13B Cl2 H13B 86.5 2_665 3_565 ?
Dy5 O12 H12A 128.2 . . ?
Dy5 O12 H12B 129.2 . . ?
H12A O12 H12B 102.6 . . ?
Dy1 O13 H13A 128(10) . 2_665 ?
Dy1 O13 H13A 128(10) . 3_565 ?
Dy1 O13 H13A 127.7 . . ?
Dy1 O13 H13B 127.7 . . ?
Dy1 O13 H13B 128(10) . 2_665 ?
Dy1 O13 H13B 128(10) . 3_565 ?
H13A O13 H13A 86.5 . 2_665 ?
H13A O13 H13B 104.5 . . ?
H13A O13 H13B 46.6 . 3_565 ?
H13A O13 H13B 104.5 3_565 3_565 ?
H13A O13 H13B 46.6 . 2_665 ?
H13A O13 H13B 46.6 2_665 3_565 ?
H13A O13 H13B 104.5 2_665 2_665 ?
H13A O13 H13B 46.6 3_565 2_665 ?
H13B O13 H13A 46.6 . 2_665 ?
H13B O13 H13B 86.5 2_665 3_565 ?
H13B O13 H13B 86.5 . 3_565 ?
H13B O13 H13B 86.4 . 2_665 ?

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
Dy3 O4 C13 C8 -130.8(6) . . . . ?
Dy3 O4 C13 C12 46.6(11) . . . . ?
Dy5 O7 C6 N3 -176.4(6) . . . . ?
Dy5 O7 C6 C5 2.0(10) . . . . ?
Dy5 N1 C1 C2 178.5(6) . . . . ?
Dy5 N1 C1 C1 -0.4(11) . . . 12 ?
Dy5 N1 C5 C4 -177.4(6) . . . . ?
Dy5 N1 C5 C6 4.9(9) . . . . ?
Dy2 Dy1 O6 Dy3 -127.5(7) 3_565 . . . ?
Dy2 Dy1 O6 Dy2 32.4(13) 3_565 . . 2_665 ?
Dy2 Dy1 O6 Dy1 -46.9(6) 3_565 . . 11_565 ?
Dy2 Dy1 O6 Dy1 -46.9(6) 3_565 . . 12 ?
Dy2 Dy1 O6 Dy1 -46.9(6) 3_565 . . 10_455 ?
Dy4 O4 C13 C8 36.5(11) . . . . ?
Dy4 O4 C13 C12 -146.1(6) . . . . ?
Dy4 O7 C6 N3 -26.5(10) . . . . ?
Dy4 O7 C6 C5 151.9(5) . . . . ?
Dy4 N2 N3 C6 21.6(8) . . . . ?
Dy4 N2 C7 C8 -3.7(13) . . . . ?
O4 C13 C8 C9 175.0(7) . . . . ?
O4 C13 C8 C7 -6.5(13) . . . . ?
O4 C13 C12 C11 -176.3(8) . . . . ?
O7 C6 C5 N1 -4.5(11) . . . . ?
O7 C6 C5 C4 177.8(8) . . . . ?
N2 N3 C6 O7 3.4(11) . . . . ?
N2 N3 C6 C5 -174.9(7) . . . . ?
N3 N2 C7 C8 -176.9(8) . . . . ?
N3 C6 C5 N1 173.9(7) . . . . ?
N3 C6 C5 C4 -3.7(12) . . . . ?
C13 C8 C9 C10 0.8(13) . . . . ?
C13 C8 C7 N2 -8.9(15) . . . . ?
C13 C12 C11 N4 -180.0(9) . . . . ?
C13 C12 C11 C10 2.0(14) . . . . ?
C8 C13 C12 C11 1.1(13) . . . . ?
C8 C9 C10 C11 2.2(15) . . . . ?
C12 C13 C8 C9 -2.5(12) . . . . ?
C12 C13 C8 C7 176.1(8) . . . . ?
C9 C8 C7 N2 169.6(8) . . . . ?
C9 C10 C11 C12 -3.6(14) . . . . ?
C9 C10 C11 N4 178.3(9) . . . . ?
C7 N2 N3 C6 -164.3(7) . . . . ?
C7 C8 C9 C10 -177.9(9) . . . . ?
C11 N4 C16 C17 81.1(12) . . . . ?
C11 N4 C14 C15 94.0(14) . . . . ?
C1 N1 C5 C4 2.1(12) . . . . ?
C1 N1 C5 C6 -175.5(7) . . . . ?
C1 C2 C3 C4 1.0(13) . . . . ?
C5 N1 C1 C2 -1.0(11) . . . . ?
C5 N1 C1 C1 -180.0(8) . . . 12 ?
C5 C4 C3 C2 0.0(13) . . . . ?
C3 C4 C5 N1 -1.6(13) . . . . ?
C3 C4 C5 C6 175.8(8) . . . . ?
C3 C2 C1 N1 -0.5(12) . . . . ?
C3 C2 C1 C1 178.3(9) . . . 12 ?
C16 N4 C11 C12 1.2(15) . . . . ?
C16 N4 C11 C10 179.2(9) . . . . ?
C16 N4 C14 C15 -96.6(14) . . . . ?
C14 N4 C11 C12 170.0(9) . . . . ?
C14 N4 C11 C10 -12.0(15) . . . . ?
C14 N4 C16 C17 -88.4(12) . . . . ?
O6 Dy1 O6 Dy3 -128.8(13) 10_455 . . . ?
O6 Dy1 O6 Dy3 -151.46(18) 2_665 . . . ?
O6 Dy1 O6 Dy3 -33.5(6) 11_565 . . . ?
O6 Dy1 O6 Dy3 -9.8(17) 3_565 . . . ?
O6 Dy1 O6 Dy3 -77.9(12) 12 . . . ?
O6 Dy1 O6 Dy2 150.05(8) 3_565 . . 2_665 ?
O6 Dy1 O6 Dy2 126.3(13) 11_565 . . 2_665 ?
O6 Dy1 O6 Dy2 31.0(5) 10_455 . . 2_665 ?
O6 Dy1 O6 Dy2 8.4(16) 2_665 . . 2_665 ?
O6 Dy1 O6 Dy2 82.0(11) 12 . . 2_665 ?
O6 Dy1 O6 Dy1 -48.2(5) 10_455 . . 11_565 ?
O6 Dy1 O6 Dy1 2.8(7) 12 . . 11_565 ?
O6 Dy1 O6 Dy1 70.8(8) 3_565 . . 11_565 ?
O6 Dy1 O6 Dy1 70.8(8) 3_565 . . 12 ?
O6 Dy1 O6 Dy1 -70.8(8) 2_665 . . 10_455 ?
O6 Dy1 O6 Dy1 47.1(5) 11_565 . . 11_565 ?
O6 Dy1 O6 Dy1 47.1(5) 11_565 . . 12 ?
O6 Dy1 O6 Dy1 70.8(8) 3_565 . . 10_455 ?
O6 Dy1 O6 Dy1 2.8(7) 12 . . 10_455 ?
O6 Dy1 O6 Dy1 2.8(7) 12 . . 12 ?
O6 Dy1 O6 Dy1 -48.2(5) 10_455 . . 12 ?
O6 Dy1 O6 Dy1 -70.8(8) 2_665 . . 11_565 ?
O6 Dy1 O6 Dy1 -48.2(5) 10_455 . . 10_455 ?
O6 Dy1 O6 Dy1 47.1(5) 11_565 . . 10_455 ?
O6 Dy1 O6 Dy1 -70.8(8) 2_665 . . 12 ?
O8 N5 O10 Dy4 -8.8(14) . . . . ?
O10 N5 O8 Dy4 7.3(11) . . . . ?
O11 N5 O8 Dy4 -174.0(16) . . . . ?
O11 N5 O10 Dy4 172.7(17) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 2790 electrons were 
found in a volume of 8907Å³ in 1 void per unit cell. 
This is consistent with the presence of 13[CH4O] per Formula Unit 
which account for 2808 electrons per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.111 -0.152 -0.002 8907 2790 '156 MeOH'

_platon_squeeze_void_probe_radius 1.20
_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
;
####################################################################### 
# 
# 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_20200711-lfp-lj-404
_database_code_depnum_ccdc_archive 'CCDC 2091295'
loop_
_audit_author_name
_audit_author_address
'Hai-Ling Wang'
;Guangxi Normal University
China
;
_audit_update_record             
;
2021-11-21 deposited with the CCDC.	2021-11-25 downloaded from the CCDC.
;
_audit_creation_date             2021-11-18
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '4(C62 H84 Dy7 N17 O35), 8(Cl)'
_chemical_formula_sum            'C260 H388 Cl8 Dy28 N74 O157'
_chemical_formula_weight         11896.02
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Dy Cl'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   24.1218(4)
_cell_length_b                   19.51008(19)
_cell_length_c                   22.0893(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.4542(18)
_cell_angle_gamma                90
_cell_volume                     10019.7(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    13383
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.1290
_cell_measurement_theta_min      2.9400
_shelx_estimated_absorpt_T_max   0.566
_shelx_estimated_absorpt_T_min   0.489
_exptl_absorpt_coefficient_mu    28.640
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.971
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5706
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.939
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            37561
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.182
_diffrn_reflns_theta_min         2.957
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -14.00  58.00   0.50    2.50    --   46.87 -53.00  -6.00  144
  2  ω     44.00  70.00   0.50    8.00    --  108.56 -61.00 120.00   52
  3  ω     40.00  71.00   0.50    8.00    --  108.56 -61.00  30.00   62
  4  ω     36.00  61.00   0.50    8.00    --  108.56 -61.00   0.00   50
  5  ω     43.00 104.00   0.50    8.00    --  108.56 -94.00 -60.00  122
  6  ω     77.00 105.00   0.50    8.00    --  108.56 -77.00 -60.00   56
  7  ω     36.00  62.00   0.50    8.00    --  108.56 -61.00-150.00   52
  8  ω     37.00  63.00   0.50    8.00    --  108.56 -61.00-120.00   52
  9  ω     36.00  69.00   0.50    8.00    --  108.56 -77.00 -60.00   66
 10  ω     38.00  65.00   0.50    8.00    --  108.56 -61.00 -30.00   54
 11  ω     39.00  69.00   0.50    8.00    --  108.56 -61.00 -60.00   60
 12  ω     97.00 139.00   0.50    8.00    --  108.56  45.00  60.00   84
 13  ω    141.00 173.00   0.50    8.00    --  108.56  45.00  60.00   64
 14  ω    140.00 177.00   0.50    8.00    --  108.56  45.00  90.00   74
 15  ω     95.00 121.00   0.50    8.00    --  108.56  53.00 138.00   52
 16  ω    104.00 129.00   0.50    8.00    --  108.56  45.00  90.00   50
 17  ω     52.00  77.00   0.50    2.50    --   46.87  53.00 138.00   50
 18  ω    -60.00  25.00   0.50    2.50    --  -46.87  53.00 138.00  170
 19  ω    -55.00 -15.00   0.50    8.00    --  -88.50  53.00 138.00   80
 20  ω    -50.00 -16.00   0.50    8.00    --  -88.50  45.00 120.00   68
 21  ω    -49.00 -16.00   0.50    8.00    --  -88.50  45.00  60.00   66
 22  ω    -51.00 -26.00   0.50    8.00    --  -88.50  45.00 -60.00   50
 23  ω    -66.00 -21.00   0.50    8.00    --  -88.50  61.00 -60.00   90
 24  ω    -55.00 -18.00   0.50    8.00    --  -88.50 125.00-150.00   74
 25  ω    -86.00 -60.00   0.50    8.00    --  -88.50 125.00-150.00   52
 26  ω   -119.00 -36.00   0.50    2.50    --  -46.87 -53.00  -6.00  166
 27  ω   -115.00 -86.00   0.50    2.50    --  -46.87-125.00 150.00   58
 28  ω   -160.00 -90.00   0.50    8.00    --  -88.50 -53.00  -6.00  140
 29  ω   -116.00 -91.00   0.50    2.50    --  -46.87-125.00-150.00   50
 30  ω   -157.00 -98.00   0.50    8.00    --  -88.50 -94.00  90.00  118
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0026192000
_diffrn_orient_matrix_UB_12      0.0208210000
_diffrn_orient_matrix_UB_13      -0.0679796000
_diffrn_orient_matrix_UB_21      0.0532705000
_diffrn_orient_matrix_UB_22      0.0458727000
_diffrn_orient_matrix_UB_23      0.0242715000
_diffrn_orient_matrix_UB_31      0.0393000000
_diffrn_orient_matrix_UB_32      -0.0608188000
_diffrn_orient_matrix_UB_33      -0.0049739000
_diffrn_oxdiff_digest_frames     
;
017a23af0f65f6609904cd0249a4c1e80a00026448d
;
_diffrn_oxdiff_digest_hkl        
;
01ae87a65a0078709f72ebf0d3c67feca10dab
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7939
_reflns_number_total             9976
_reflns_odcompleteness_completeness 99.53
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.717
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         9976
_refine_ls_number_restraints     1481
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0513
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0655P)²+99.5197P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1269
_refine_ls_wR_factor_ref         0.1357
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H3 of O3, H2 of O2, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H11 of O11, H12 of O12, All O(H,H) groups
2. Restrained distances
 O11-H11
 0.85 with sigma of 0.01
 O12-H12
 0.85 with sigma of 0.01
 C30-H11
 1.856027 with sigma of 0.02
 Dy4-H11
 2.850602 with sigma of 0.02
 Dy3-H12
 2.971193 with sigma of 0.02
 C31-H12
 1.924662 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5.a Riding coordinates:
 C31(H31A,H31B,H31C), O23(H23A,H23B)
5.b Ternary CH refined with riding coordinates:
 O2(H2), O3(H3), C12(H12A)
5.c Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C26(H26A,H26B)
5.d Aromatic/amide H refined with riding coordinates:
 N6(H6), C1(H1), C2(H2A), C7(H7), C10(H10), C11(H11A), C13(H13), C17(H17),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25)
5.e Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.500000 0.29483(3) 0.250000 0.03708(14) Uani 1 2 d S TU P . .
Dy2 Dy 0.46385(2) 0.21018(2) 0.37716(2) 0.03957(12) Uani 1 1 d . U . . .
Dy3 Dy 0.40598(2) 0.37465(2) 0.32781(2) 0.04156(12) Uani 1 1 d D U . . .
Dy4 Dy 0.500000 0.09910(3) 0.250000 0.04231(16) Uani 1 2 d DS TU P . .
Dy5 Dy 0.500000 0.49056(3) 0.250000 0.0628(2) Uani 1 2 d S TU P . .
O1 O 0.4983(2) 0.3246(2) 0.3552(2) 0.0379(10) Uani 1 1 d . U . . .
O2 O 0.4184(2) 0.2642(2) 0.2849(2) 0.0392(11) Uani 1 1 d . U . . .
H2 H 0.385530 0.241990 0.255700 0.047 Uiso 1 1 calc R . . . .
O3 O 0.4711(2) 0.1966(2) 0.1888(2) 0.0384(11) Uani 1 1 d . U . . .
H3 H 0.430333 0.196566 0.165599 0.046 Uiso 1 1 calc R . . . .
O4 O 0.4082(2) 0.2961(2) 0.4068(2) 0.0398(10) Uani 1 1 d . U . . .
O5 O 0.4612(2) 0.4754(2) 0.3323(2) 0.0449(12) Uani 1 1 d . U . . .
O6 O 0.5593(2) 0.3918(2) 0.2640(2) 0.0448(12) Uani 1 1 d . U . . .
O7 O 0.5627(2) 0.1735(3) 0.4400(2) 0.0486(12) Uani 1 1 d . U . . .
O8 O 0.5164(3) 0.2411(3) 0.4860(3) 0.0537(13) Uani 1 1 d . U . . .
O9 O 0.4540(3) 0.1065(2) 0.3278(3) 0.0505(13) Uani 1 1 d . U . . .
N11 N 0.3561(3) 0.1649(3) 0.3388(3) 0.0511(15) Uani 1 1 d . U . . .
O10 O 0.3352(3) 0.4714(3) 0.3098(3) 0.0641(15) Uani 1 1 d . U . . .
N7 N 0.4282(3) 0.4409(3) 0.4276(3) 0.0464(14) Uani 1 1 d . U . . .
O11 O 0.4026(3) 0.0761(3) 0.1922(3) 0.0704(17) Uani 1 1 d D U . . .
H11 H 0.3819(15) 0.1125(17) 0.188(5) 0.106 Uiso 1 1 d DR . . . .
N2 N 0.5602(3) 0.2036(3) 0.4898(3) 0.0533(15) Uani 1 1 d . U . . .
N6 N 0.4439(3) 0.5105(3) 0.4250(3) 0.0478(14) Uani 1 1 d . U . . .
H6 H 0.443976 0.540390 0.453678 0.057 Uiso 1 1 calc R . . . .
O12 O 0.3243(3) 0.3502(3) 0.2318(3) 0.0754(18) Uani 1 1 d D U . . .
H12 H 0.3286(19) 0.313(3) 0.214(3) 0.113 Uiso 1 1 d DR . . . .
O13 O 0.5970(3) 0.1951(4) 0.5396(3) 0.082(2) Uani 1 1 d . U . . .
O14 O 0.3125(3) 0.3808(3) 0.3552(3) 0.0663(16) Uani 1 1 d . U . . .
N10 N 0.4479(3) 0.1094(3) 0.4474(4) 0.0563(16) Uani 1 1 d . U . . .
N5 N 0.4839(4) 0.5991(3) 0.3021(3) 0.0561(16) Uani 1 1 d . U . . .
O15 O 0.5045(3) -0.0195(3) 0.2038(3) 0.0775(18) Uani 1 1 d . U . . .
C1 C 0.4210(4) 0.4242(4) 0.4815(4) 0.0505(17) Uani 1 1 d . U . . .
H1 H 0.428818 0.458052 0.512289 0.061 Uiso 1 1 calc R . . . .
C2 C 0.3692(4) 0.2422(4) 0.4818(4) 0.0524(17) Uani 1 1 d . U . . .
H2A H 0.362404 0.203086 0.456880 0.063 Uiso 1 1 calc R . . . .
N1 N 0.500000 -0.0481(5) 0.250000 0.065(2) Uani 1 2 d S TU P . .
N9 N 0.2997(4) 0.4407(4) 0.3346(4) 0.0713(19) Uani 1 1 d . U . . .
O16 O 0.2543(4) 0.4675(5) 0.3375(5) 0.107(3) Uani 1 1 d . U . . .
C3 C 0.4581(4) 0.5229(4) 0.3734(4) 0.0465(15) Uani 1 1 d . U . . .
C4 C 0.4025(4) 0.3597(4) 0.4992(4) 0.0527(17) Uani 1 1 d . U . . .
C5 C 0.3928(4) 0.2993(4) 0.4602(4) 0.0484(16) Uani 1 1 d . U . . .
C6 C 0.3543(4) 0.0984(4) 0.3232(4) 0.0571(17) Uani 1 1 d . U . . .
C7 C 0.3065(4) 0.1991(4) 0.3251(4) 0.0594(19) Uani 1 1 d . U . . .
H7 H 0.306994 0.245103 0.336356 0.071 Uiso 1 1 calc R . . . .
N8 N 0.3310(4) 0.1826(4) 0.5589(4) 0.0792(19) Uani 1 1 d . U . . .
C8 C 0.4697(4) 0.5943(4) 0.3572(4) 0.0556(17) Uani 1 1 d . U . . .
C9 C 0.3552(5) 0.2408(5) 0.5400(5) 0.071(2) Uani 1 1 d . U . . .
C10 C 0.3038(5) 0.0658(5) 0.2932(5) 0.073(2) Uani 1 1 d . U . . .
H10 H 0.303648 0.019519 0.282939 0.088 Uiso 1 1 calc R . . . .
C11 C 0.4645(5) 0.6511(4) 0.3923(4) 0.065(2) Uani 1 1 d . U . . .
H11A H 0.456361 0.646475 0.430985 0.077 Uiso 1 1 calc R . . . .
C12 C 0.4118(4) 0.0643(4) 0.3420(4) 0.0573(17) Uani 1 1 d . U . . .
H12A H 0.410326 0.019913 0.320844 0.069 Uiso 1 1 calc R . . . .
C13 C 0.4150(5) -0.0065(5) 0.4420(5) 0.072(2) Uani 1 1 d . U . . .
H13 H 0.399617 -0.044472 0.417886 0.086 Uiso 1 1 calc R . . . .
C14 C 0.4916(5) 0.6609(4) 0.2800(4) 0.064(2) Uani 1 1 d . U . . .
C15 C 0.4267(4) 0.0543(4) 0.4136(5) 0.0584(18) Uani 1 1 d . U . . .
C16 C 0.3150(5) 0.1238(6) 0.5189(6) 0.083(3) Uani 1 1 d . U . . .
H16A H 0.340579 0.118499 0.491973 0.100 Uiso 1 1 calc R . . . .
H16B H 0.316731 0.082504 0.543773 0.100 Uiso 1 1 calc R . . . .
C17 C 0.4268(5) -0.0085(5) 0.5066(6) 0.077(2) Uani 1 1 d . U . . .
H17 H 0.419378 -0.048213 0.526416 0.093 Uiso 1 1 calc R . . . .
C18 C 0.2537(5) 0.1694(5) 0.2947(5) 0.072(2) Uani 1 1 d . U . . .
H18 H 0.219771 0.194696 0.285826 0.086 Uiso 1 1 calc R . . . .
C19 C 0.3690(5) 0.2991(5) 0.5790(5) 0.075(2) Uani 1 1 d . U . . .
H19 H 0.363487 0.298630 0.619100 0.090 Uiso 1 1 calc R . . . .
C20 C 0.3903(5) 0.3556(5) 0.5576(5) 0.069(2) Uani 1 1 d . U . . .
H20 H 0.397149 0.394183 0.583309 0.082 Uiso 1 1 calc R . . . .
C21 C 0.4717(5) 0.7150(4) 0.3687(5) 0.074(2) Uani 1 1 d . U . . .
H21 H 0.467013 0.754174 0.390806 0.089 Uiso 1 1 calc R . . . .
O17 O 0.500000 -0.1158(5) 0.250000 0.109(4) Uani 1 2 d S TU P . .
C22 C 0.2536(5) 0.1031(6) 0.2788(6) 0.081(3) Uani 1 1 d . U . . .
H22 H 0.219237 0.082077 0.257741 0.098 Uiso 1 1 calc R . . . .
C23 C 0.4493(5) 0.0472(6) 0.5414(5) 0.077(2) Uani 1 1 d . U . . .
H23 H 0.457761 0.046448 0.584959 0.093 Uiso 1 1 calc R . . . .
C24 C 0.4591(4) 0.1053(5) 0.5097(5) 0.067(2) Uani 1 1 d . U . . .
H24 H 0.474374 0.143634 0.533277 0.080 Uiso 1 1 calc R . . . .
C25 C 0.4857(5) 0.7208(4) 0.3125(5) 0.070(2) Uani 1 1 d . U . . .
H25 H 0.491121 0.763617 0.296441 0.084 Uiso 1 1 calc R . . . .
C26 C 0.3134(7) 0.1833(7) 0.6192(7) 0.102(3) Uani 1 1 d . U . . .
H26A H 0.296202 0.227418 0.623389 0.123 Uiso 1 1 calc R . . . .
H26B H 0.284292 0.148466 0.617065 0.123 Uiso 1 1 calc R . . . .
C27 C 0.3593(9) 0.1716(9) 0.6731(8) 0.143(5) Uani 1 1 d . U . . .
H27A H 0.383028 0.135148 0.664894 0.214 Uiso 1 1 calc GR . . . .
H27B H 0.344252 0.159158 0.707661 0.214 Uiso 1 1 calc GR . . . .
H27C H 0.381908 0.212598 0.683432 0.214 Uiso 1 1 calc GR . . . .
C28 C 0.2594(7) 0.1356(9) 0.4833(8) 0.136(5) Uani 1 1 d . U . . .
H28A H 0.258249 0.176887 0.459438 0.204 Uiso 1 1 calc GR . . . .
H28B H 0.234531 0.140222 0.510544 0.204 Uiso 1 1 calc GR . . . .
H28C H 0.246716 0.097724 0.455240 0.204 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.33028(11) 0.20971(14) 0.15908(13) 0.0799(7) Uani 1 1 d . U . . .
C29 C 0.5452(5) 0.3527(5) 0.4018(4) 0.065(2) Uani 1 1 d . U . . .
H29A H 0.578307 0.323886 0.406599 0.098 Uiso 1 1 calc GR . . . .
H29B H 0.535239 0.355447 0.441021 0.098 Uiso 1 1 calc GR . . . .
H29C H 0.553596 0.397749 0.389202 0.098 Uiso 1 1 calc GR . . . .
C30 C 0.3705(6) 0.0254(7) 0.1582(7) 0.111(4) Uani 1 1 d D U . . .
H30A H 0.360111 0.037646 0.114568 0.167 Uiso 1 1 calc GR . . . .
H30B H 0.336323 0.018966 0.171970 0.167 Uiso 1 1 calc GR . . . .
H30C H 0.392342 -0.016374 0.164064 0.167 Uiso 1 1 calc GR . . . .
C31 C 0.2623(7) 0.3694(9) 0.2078(9) 0.142(6) Uani 1 1 d D U . . .
H31A H 0.256957 0.398998 0.172041 0.214 Uiso 1 1 d R . . . .
H31B H 0.250747 0.392778 0.240701 0.214 Uiso 1 1 d R . . . .
H31C H 0.239467 0.328778 0.196181 0.214 Uiso 1 1 d R . . . .
O23 O 0.4158(4) 0.5221(5) 0.1835(6) 0.173(5) Uani 1 1 d . U . . .
H23A H 0.390613 0.553021 0.189999 0.259 Uiso 1 1 d R . . . .
H23B H 0.399983 0.506441 0.144709 0.259 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.5614(4) 2_655 ?
Dy1 Dy2 3.5615(4) . ?
Dy1 Dy3 3.5496(5) 2_655 ?
Dy1 Dy3 3.5496(5) . ?
Dy1 O1 2.407(4) 2_655 ?
Dy1 O1 2.407(4) . ?
Dy1 O2 2.374(5) . ?
Dy1 O2 2.374(5) 2_655 ?
Dy1 O3 2.342(4) . ?
Dy1 O3 2.342(4) 2_655 ?
Dy1 O6 2.342(5) 2_655 ?
Dy1 O6 2.342(5) . ?
Dy2 Dy3 3.5528(5) . ?
Dy2 O1 2.474(4) . ?
Dy2 O2 2.297(5) . ?
Dy2 O3 2.424(5) 2_655 ?
Dy2 O4 2.348(4) . ?
Dy2 O7 2.522(6) . ?
Dy2 O8 2.475(6) . ?
Dy2 O9 2.281(5) . ?
Dy2 N11 2.661(7) . ?
Dy2 N10 2.597(6) . ?
Dy3 O1 2.357(5) . ?
Dy3 O2 2.404(4) . ?
Dy3 O4 2.312(5) . ?
Dy3 O5 2.361(5) . ?
Dy3 O6 2.414(5) 2_655 ?
Dy3 O10 2.505(6) . ?
Dy3 N7 2.487(6) . ?
Dy3 O12 2.526(7) . ?
Dy3 O14 2.489(6) . ?
Dy4 O3 2.331(4) . ?
Dy4 O3 2.331(4) 2_655 ?
Dy4 O9 2.285(5) 2_655 ?
Dy4 O9 2.285(5) . ?
Dy4 O11 2.397(6) . ?
Dy4 O11 2.398(7) 2_655 ?
Dy4 O15 2.542(6) 2_655 ?
Dy4 O15 2.542(6) . ?
Dy5 O5 2.276(5) 2_655 ?
Dy5 O5 2.276(5) . ?
Dy5 O6 2.371(5) . ?
Dy5 O6 2.371(5) 2_655 ?
Dy5 N5 2.490(6) 2_655 ?
Dy5 N5 2.490(6) . ?
Dy5 O23 2.251(8) 2_655 ?
Dy5 O23 2.251(8) . ?
O1 C29 1.421(11) . ?
O2 H2 0.9800 . ?
O3 H3 0.9800 . ?
O4 C5 1.329(9) . ?
O5 C3 1.313(8) . ?
O7 N2 1.261(8) . ?
O8 N2 1.271(9) . ?
O9 C12 1.407(9) . ?
N11 C6 1.340(10) . ?
N11 C7 1.334(11) . ?
O10 N9 1.282(10) . ?
N7 N6 1.414(8) . ?
N7 C1 1.291(9) . ?
O11 H11 0.860(10) . ?
O11 C30 1.353(13) . ?
N2 O13 1.226(10) . ?
N6 H6 0.8600 . ?
N6 C3 1.299(9) . ?
O12 H12 0.851(10) . ?
O12 C31 1.493(17) . ?
O14 N9 1.261(9) . ?
N10 C15 1.331(11) . ?
N10 C24 1.332(12) . ?
N5 C8 1.352(10) . ?
N5 C14 1.331(10) . ?
O15 N1 1.193(8) . ?
C1 H1 0.9300 . ?
C1 C4 1.425(11) . ?
C2 H2A 0.9300 . ?
C2 C5 1.393(10) . ?
C2 C9 1.413(12) . ?
N1 O17 1.320(14) . ?
N9 O16 1.229(10) . ?
C3 C8 1.482(10) . ?
C4 C5 1.442(11) . ?
C4 C20 1.400(11) . ?
C6 C10 1.377(13) . ?
C6 C12 1.495(13) . ?
C7 H7 0.9300 . ?
C7 C18 1.398(13) . ?
N8 C9 1.391(12) . ?
N8 C16 1.437(14) . ?
N8 C26 1.503(14) . ?
C8 C11 1.378(11) . ?
C9 C19 1.411(14) . ?
C10 H10 0.9300 . ?
C10 C22 1.376(15) . ?
C11 H11A 0.9300 . ?
C11 C21 1.380(12) . ?
C12 H12A 0.9800 . ?
C12 C15 1.538(13) . ?
C13 H13 0.9300 . ?
C13 C15 1.406(12) . ?
C13 C17 1.378(15) . ?
C14 C14 1.487(17) 2_655 ?
C14 C25 1.398(12) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C28 1.380(19) . ?
C17 H17 0.9300 . ?
C17 C23 1.359(16) . ?
C18 H18 0.9300 . ?
C18 C22 1.340(14) . ?
C19 H19 0.9300 . ?
C19 C20 1.354(12) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C21 C25 1.376(13) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.384(12) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.41(2) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9601 . ?
C31 H31B 0.9603 . ?
C31 H31C 0.9602 . ?
O23 H23A 0.8949 . ?
O23 H23B 0.8945 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy2 Dy1 Dy2 124.741(19) 2_655 . ?
Dy3 Dy1 Dy2 155.186(11) . 2_655 ?
Dy3 Dy1 Dy2 59.949(9) . . ?
Dy3 Dy1 Dy2 155.187(11) 2_655 . ?
Dy3 Dy1 Dy2 59.949(9) 2_655 2_655 ?
Dy3 Dy1 Dy3 127.957(19) 2_655 . ?
O1 Dy1 Dy2 43.88(10) . . ?
O1 Dy1 Dy2 43.88(10) 2_655 2_655 ?
O1 Dy1 Dy2 160.81(12) . 2_655 ?
O1 Dy1 Dy2 160.81(12) 2_655 . ?
O1 Dy1 Dy3 122.66(11) . 2_655 ?
O1 Dy1 Dy3 122.66(11) 2_655 . ?
O1 Dy1 Dy3 41.30(12) 2_655 2_655 ?
O1 Dy1 Dy3 41.30(12) . . ?
O1 Dy1 O1 152.1(2) . 2_655 ?
O2 Dy1 Dy2 39.51(12) . . ?
O2 Dy1 Dy2 122.56(11) 2_655 . ?
O2 Dy1 Dy2 39.52(12) 2_655 2_655 ?
O2 Dy1 Dy2 122.56(11) . 2_655 ?
O2 Dy1 Dy3 163.69(11) . 2_655 ?
O2 Dy1 Dy3 163.69(11) 2_655 . ?
O2 Dy1 Dy3 42.35(10) 2_655 2_655 ?
O2 Dy1 Dy3 42.35(10) . . ?
O2 Dy1 O1 127.15(17) 2_655 . ?
O2 Dy1 O1 61.15(16) . . ?
O2 Dy1 O1 61.15(16) 2_655 2_655 ?
O2 Dy1 O1 127.15(17) . 2_655 ?
O2 Dy1 O2 150.9(2) . 2_655 ?
O3 Dy1 Dy2 88.74(11) 2_655 2_655 ?
O3 Dy1 Dy2 42.53(11) 2_655 . ?
O3 Dy1 Dy2 42.53(11) . 2_655 ?
O3 Dy1 Dy2 88.74(11) . . ?
O3 Dy1 Dy3 120.54(12) . . ?
O3 Dy1 Dy3 102.11(11) . 2_655 ?
O3 Dy1 Dy3 102.12(11) 2_655 . ?
O3 Dy1 Dy3 120.54(12) 2_655 2_655 ?
O3 Dy1 O1 73.68(15) . 2_655 ?
O3 Dy1 O1 132.51(15) 2_655 2_655 ?
O3 Dy1 O1 73.68(15) 2_655 . ?
O3 Dy1 O1 132.51(15) . . ?
O3 Dy1 O2 75.63(16) 2_655 . ?
O3 Dy1 O2 80.59(16) . . ?
O3 Dy1 O2 75.63(16) . 2_655 ?
O3 Dy1 O2 80.59(16) 2_655 2_655 ?
O3 Dy1 O3 70.2(2) . 2_655 ?
O3 Dy1 O6 120.48(18) . 2_655 ?
O3 Dy1 O6 144.55(17) . . ?
O3 Dy1 O6 144.55(16) 2_655 2_655 ?
O3 Dy1 O6 120.48(18) 2_655 . ?
O6 Dy1 Dy2 122.68(12) . . ?
O6 Dy1 Dy2 122.68(12) 2_655 2_655 ?
O6 Dy1 Dy2 102.08(12) . 2_655 ?
O6 Dy1 Dy2 102.08(12) 2_655 . ?
O6 Dy1 Dy3 42.51(12) 2_655 . ?
O6 Dy1 Dy3 91.63(12) 2_655 2_655 ?
O6 Dy1 Dy3 91.63(12) . . ?
O6 Dy1 Dy3 42.51(12) . 2_655 ?
O6 Dy1 O1 76.42(16) 2_655 . ?
O6 Dy1 O1 76.43(16) . 2_655 ?
O6 Dy1 O1 81.09(16) 2_655 2_655 ?
O6 Dy1 O1 81.09(16) . . ?
O6 Dy1 O2 73.49(17) 2_655 . ?
O6 Dy1 O2 133.68(16) 2_655 2_655 ?
O6 Dy1 O2 133.68(16) . . ?
O6 Dy1 O2 73.49(17) . 2_655 ?
O6 Dy1 O6 72.3(3) . 2_655 ?
Dy3 Dy2 Dy1 59.860(11) . . ?
O1 Dy2 Dy1 42.41(10) . . ?
O1 Dy2 Dy3 41.40(11) . . ?
O1 Dy2 O7 92.66(17) . . ?
O1 Dy2 O8 81.90(17) . . ?
O1 Dy2 N11 125.97(19) . . ?
O1 Dy2 N2 88.50(18) . . ?
O1 Dy2 N10 155.7(2) . . ?
O2 Dy2 Dy1 41.13(12) . . ?
O2 Dy2 Dy3 42.06(11) . . ?
O2 Dy2 O1 61.17(16) . . ?
O2 Dy2 O3 75.49(16) . 2_655 ?
O2 Dy2 O4 75.28(17) . . ?
O2 Dy2 O7 140.94(17) . . ?
O2 Dy2 O8 138.58(17) . . ?
O2 Dy2 N11 71.02(19) . . ?
O2 Dy2 N2 149.24(18) . . ?
O2 Dy2 N10 140.0(2) . . ?
O3 Dy2 Dy1 40.77(10) 2_655 . ?
O3 Dy2 Dy3 100.28(10) 2_655 . ?
O3 Dy2 O1 71.09(14) 2_655 . ?
O3 Dy2 O7 68.37(16) 2_655 . ?
O3 Dy2 O8 111.39(18) 2_655 . ?
O3 Dy2 N11 120.40(18) 2_655 . ?
O3 Dy2 N2 90.63(18) 2_655 . ?
O3 Dy2 N10 119.98(18) 2_655 . ?
O4 Dy2 Dy1 99.61(11) . . ?
O4 Dy2 Dy3 39.94(11) . . ?
O4 Dy2 O1 69.93(15) . . ?
O4 Dy2 O3 139.08(15) . 2_655 ?
O4 Dy2 O7 125.18(17) . . ?
O4 Dy2 O8 74.82(18) . . ?
O4 Dy2 N11 75.13(19) . . ?
O4 Dy2 N2 100.30(18) . . ?
O4 Dy2 N10 100.79(19) . . ?
O7 Dy2 Dy1 99.88(11) . . ?
O7 Dy2 Dy3 131.41(12) . . ?
O7 Dy2 N11 141.37(19) . . ?
O7 Dy2 N2 25.47(17) . . ?
O7 Dy2 N10 74.1(2) . . ?
O8 Dy2 Dy1 118.94(13) . . ?
O8 Dy2 Dy3 97.80(13) . . ?
O8 Dy2 O7 50.95(17) . . ?
O8 Dy2 N11 126.5(2) . . ?
O8 Dy2 N2 25.57(18) . . ?
O8 Dy2 N10 73.9(2) . . ?
O9 Dy2 Dy1 92.89(13) . . ?
O9 Dy2 Dy3 132.22(15) . . ?
O9 Dy2 O1 134.78(16) . . ?
O9 Dy2 O2 91.06(18) . . ?
O9 Dy2 O3 67.51(16) . 2_655 ?
O9 Dy2 O4 140.56(19) . . ?
O9 Dy2 O7 88.6(2) . . ?
O9 Dy2 O8 129.9(2) . . ?
O9 Dy2 N11 65.4(2) . . ?
O9 Dy2 N2 109.1(2) . . ?
O9 Dy2 N10 66.5(2) . . ?
N11 Dy2 Dy1 109.04(14) . . ?
N11 Dy2 Dy3 86.08(14) . . ?
N11 Dy2 N2 138.2(2) . . ?
N2 Dy2 Dy1 112.67(13) . . ?
N2 Dy2 Dy3 117.35(13) . . ?
N10 Dy2 Dy1 158.30(16) . . ?
N10 Dy2 Dy3 139.34(15) . . ?
N10 Dy2 N11 69.6(2) . . ?
N10 Dy2 N2 70.7(2) . . ?
Dy1 Dy3 Dy2 60.191(11) . . ?
O1 Dy3 Dy1 42.37(11) . . ?
O1 Dy3 Dy2 43.95(11) . . ?
O1 Dy3 O2 61.43(16) . . ?
O1 Dy3 O5 81.44(17) . . ?
O1 Dy3 O6 76.01(16) . 2_655 ?
O1 Dy3 O10 155.52(19) . . ?
O1 Dy3 N7 91.24(19) . . ?
O1 Dy3 O12 127.56(19) . . ?
O1 Dy3 O14 144.35(18) . . ?
O1 Dy3 N9 162.8(2) . . ?
O2 Dy3 Dy1 41.70(11) . . ?
O2 Dy3 Dy2 39.78(11) . . ?
O2 Dy3 O6 71.69(15) . 2_655 ?
O2 Dy3 O10 139.8(2) . . ?
O2 Dy3 N7 142.63(18) . . ?
O2 Dy3 O12 69.60(19) . . ?
O2 Dy3 O14 110.80(19) . . ?
O2 Dy3 N9 128.4(2) . . ?
O4 Dy3 Dy1 100.69(11) . . ?
O4 Dy3 Dy2 40.69(11) . . ?
O4 Dy3 O1 72.62(16) . . ?
O4 Dy3 O2 73.92(15) . . ?
O4 Dy3 O5 128.37(18) . . ?
O4 Dy3 O6 141.47(15) . 2_655 ?
O4 Dy3 O10 119.81(18) . . ?
O4 Dy3 N7 73.72(17) . . ?
O4 Dy3 O12 111.4(2) . . ?
O4 Dy3 O14 71.88(19) . . ?
O4 Dy3 N9 95.6(2) . . ?
O5 Dy3 Dy1 87.71(11) . . ?
O5 Dy3 Dy2 124.62(13) . . ?
O5 Dy3 O2 129.41(16) . . ?
O5 Dy3 O6 66.57(16) . 2_655 ?
O5 Dy3 O10 74.45(19) . . ?
O5 Dy3 N7 62.86(18) . . ?
O5 Dy3 O12 119.8(2) . . ?
O5 Dy3 O14 119.11(18) . . ?
O5 Dy3 N9 97.1(2) . . ?
O6 Dy3 Dy1 40.96(11) 2_655 . ?
O6 Dy3 Dy2 100.78(11) 2_655 . ?
O6 Dy3 O10 97.82(18) 2_655 . ?
O6 Dy3 N7 129.12(18) 2_655 . ?
O6 Dy3 O12 71.9(2) 2_655 . ?
O6 Dy3 O14 137.4(2) 2_655 . ?
O6 Dy3 N9 119.3(2) 2_655 . ?
O10 Dy3 Dy1 138.58(14) . . ?
O10 Dy3 Dy2 157.64(14) . . ?
O10 Dy3 O12 70.3(2) . . ?
O10 Dy3 N9 26.1(2) . . ?
N7 Dy3 Dy1 129.96(16) . . ?
N7 Dy3 Dy2 102.89(14) . . ?
N7 Dy3 O10 74.1(2) . . ?
N7 Dy3 O12 141.1(2) . . ?
N7 Dy3 O14 75.8(2) . . ?
N7 Dy3 N9 73.1(2) . . ?
O12 Dy3 Dy1 88.10(17) . . ?
O12 Dy3 Dy2 104.01(15) . . ?
O12 Dy3 N9 68.0(3) . . ?
O14 Dy3 Dy1 151.18(16) . . ?
O14 Dy3 Dy2 106.07(14) . . ?
O14 Dy3 O10 51.58(19) . . ?
O14 Dy3 O12 70.0(2) . . ?
O14 Dy3 N9 25.5(2) . . ?
N9 Dy3 Dy1 154.81(18) . . ?
N9 Dy3 Dy2 131.60(16) . . ?
Dy1 Dy4 Dy2 55.517(9) . . ?
Dy1 Dy4 Dy2 55.516(9) . 2_655 ?
Dy2 Dy4 Dy2 111.033(17) 2_655 . ?
O3 Dy4 Dy1 35.28(11) . . ?
O3 Dy4 Dy1 35.28(11) 2_655 . ?
O3 Dy4 Dy2 82.64(11) . . ?
O3 Dy4 Dy2 37.22(12) 2_655 . ?
O3 Dy4 Dy2 37.21(12) . 2_655 ?
O3 Dy4 Dy2 82.64(11) 2_655 2_655 ?
O3 Dy4 O3 70.6(2) 2_655 . ?
O3 Dy4 O11 124.1(2) . 2_655 ?
O3 Dy4 O11 75.22(19) . . ?
O3 Dy4 O11 124.1(2) 2_655 . ?
O3 Dy4 O11 75.22(19) 2_655 2_655 ?
O3 Dy4 O15 159.6(2) . 2_655 ?
O3 Dy4 O15 123.3(2) 2_655 2_655 ?
O3 Dy4 O15 159.6(2) 2_655 . ?
O3 Dy4 O15 123.3(2) . . ?
O3 Dy4 N1 144.72(11) 2_655 . ?
O3 Dy4 N1 144.72(11) . . ?
O9 Dy4 Dy1 86.39(12) 2_655 . ?
O9 Dy4 Dy1 86.39(12) . . ?
O9 Dy4 Dy2 33.00(12) . . ?
O9 Dy4 Dy2 140.12(12) . 2_655 ?
O9 Dy4 Dy2 33.00(12) 2_655 2_655 ?
O9 Dy4 Dy2 140.12(12) 2_655 . ?
O9 Dy4 O3 104.74(17) 2_655 2_655 ?
O9 Dy4 O3 104.74(17) . . ?
O9 Dy4 O3 69.08(17) 2_655 . ?
O9 Dy4 O3 69.08(17) . 2_655 ?
O9 Dy4 O9 172.8(2) 2_655 . ?
O9 Dy4 O11 102.4(2) 2_655 . ?
O9 Dy4 O11 79.0(2) . . ?
O9 Dy4 O11 102.4(2) . 2_655 ?
O9 Dy4 O11 79.0(2) 2_655 2_655 ?
O9 Dy4 O15 71.0(2) . 2_655 ?
O9 Dy4 O15 116.1(2) . . ?
O9 Dy4 O15 71.0(2) 2_655 . ?
O9 Dy4 O15 116.1(2) 2_655 2_655 ?
O9 Dy4 N1 93.61(12) 2_655 . ?
O9 Dy4 N1 93.61(12) . . ?
O11 Dy4 Dy1 100.80(15) . . ?
O11 Dy4 Dy1 100.80(15) 2_655 . ?
O11 Dy4 Dy2 95.62(17) 2_655 . ?
O11 Dy4 Dy2 95.62(17) . 2_655 ?
O11 Dy4 Dy2 96.56(18) 2_655 2_655 ?
O11 Dy4 Dy2 96.56(17) . . ?
O11 Dy4 O11 158.4(3) . 2_655 ?
O11 Dy4 O15 75.9(2) 2_655 2_655 ?
O11 Dy4 O15 84.4(2) . 2_655 ?
O11 Dy4 O15 75.9(2) . . ?
O11 Dy4 O15 84.4(2) 2_655 . ?
O11 Dy4 N1 79.20(15) 2_655 . ?
O11 Dy4 N1 79.20(15) . . ?
O15 Dy4 Dy1 155.51(16) 2_655 . ?
O15 Dy4 Dy1 155.51(16) . . ?
O15 Dy4 Dy2 100.28(16) . 2_655 ?
O15 Dy4 Dy2 100.28(16) 2_655 . ?
O15 Dy4 Dy2 148.43(16) 2_655 2_655 ?
O15 Dy4 Dy2 148.43(16) . . ?
O15 Dy4 O15 49.0(3) . 2_655 ?
O15 Dy4 N1 24.49(16) 2_655 . ?
O15 Dy4 N1 24.49(16) . . ?
N1 Dy4 Dy1 180.0 . . ?
N1 Dy4 Dy2 124.484(9) . 2_655 ?
N1 Dy4 Dy2 124.483(9) . . ?
Dy1 Dy5 Dy3 54.665(9) . 2_655 ?
Dy1 Dy5 Dy3 54.665(9) . . ?
Dy3 Dy5 Dy3 109.330(18) 2_655 . ?
O5 Dy5 Dy1 82.55(11) 2_655 . ?
O5 Dy5 Dy1 82.55(11) . . ?
O5 Dy5 Dy3 33.20(12) . . ?
O5 Dy5 Dy3 133.37(12) 2_655 . ?
O5 Dy5 Dy3 33.20(12) 2_655 2_655 ?
O5 Dy5 Dy3 133.37(12) . 2_655 ?
O5 Dy5 O5 165.1(2) . 2_655 ?
O5 Dy5 O6 98.81(17) . . ?
O5 Dy5 O6 68.65(17) . 2_655 ?
O5 Dy5 O6 98.81(17) 2_655 2_655 ?
O5 Dy5 O6 68.65(17) 2_655 . ?
O5 Dy5 N5 65.98(18) . . ?
O5 Dy5 N5 128.89(19) . 2_655 ?
O5 Dy5 N5 128.89(19) 2_655 . ?
O5 Dy5 N5 65.97(18) 2_655 2_655 ?
O6 Dy5 Dy1 35.63(12) 2_655 . ?
O6 Dy5 Dy1 35.63(12) . . ?
O6 Dy5 Dy3 35.57(11) 2_655 . ?
O6 Dy5 Dy3 82.72(12) 2_655 2_655 ?
O6 Dy5 Dy3 35.57(11) . 2_655 ?
O6 Dy5 Dy3 82.72(12) . . ?
O6 Dy5 O6 71.3(2) . 2_655 ?
O6 Dy5 N5 126.1(2) . 2_655 ?
O6 Dy5 N5 126.1(2) 2_655 . ?
O6 Dy5 N5 142.6(2) 2_655 2_655 ?
O6 Dy5 N5 142.6(2) . . ?
N5 Dy5 Dy1 148.28(14) . . ?
N5 Dy5 Dy1 148.28(14) 2_655 . ?
N5 Dy5 Dy3 96.23(15) . . ?
N5 Dy5 Dy3 96.23(15) 2_655 2_655 ?
N5 Dy5 Dy3 151.09(17) 2_655 . ?
N5 Dy5 Dy3 151.09(17) . 2_655 ?
N5 Dy5 N5 63.4(3) . 2_655 ?
O23 Dy5 Dy1 105.8(3) 2_655 . ?
O23 Dy5 Dy1 105.8(3) . . ?
O23 Dy5 Dy3 85.2(3) 2_655 2_655 ?
O23 Dy5 Dy3 113.5(4) . 2_655 ?
O23 Dy5 Dy3 113.5(4) 2_655 . ?
O23 Dy5 Dy3 85.2(3) . . ?
O23 Dy5 O5 90.4(4) . 2_655 ?
O23 Dy5 O5 93.7(4) . . ?
O23 Dy5 O5 93.7(4) 2_655 2_655 ?
O23 Dy5 O5 90.4(4) 2_655 . ?
O23 Dy5 O6 74.3(3) 2_655 . ?
O23 Dy5 O6 74.3(3) . 2_655 ?
O23 Dy5 O6 135.7(4) 2_655 2_655 ?
O23 Dy5 O6 135.7(4) . . ?
O23 Dy5 N5 81.1(4) 2_655 2_655 ?
O23 Dy5 N5 81.1(4) . . ?
O23 Dy5 N5 72.0(3) . 2_655 ?
O23 Dy5 N5 72.0(3) 2_655 . ?
O23 Dy5 O23 148.3(5) . 2_655 ?
Dy1 O1 Dy2 93.71(16) . . ?
Dy3 O1 Dy1 96.32(18) . . ?
Dy3 O1 Dy2 94.65(16) . . ?
C29 O1 Dy1 125.2(5) . . ?
C29 O1 Dy2 116.8(4) . . ?
C29 O1 Dy3 122.8(5) . . ?
Dy1 O2 Dy3 95.95(16) . . ?
Dy1 O2 H2 119.5 . . ?
Dy2 O2 Dy1 99.36(19) . . ?
Dy2 O2 Dy3 98.16(17) . . ?
Dy2 O2 H2 119.5 . . ?
Dy3 O2 H2 119.5 . . ?
Dy1 O3 Dy2 96.71(16) . 2_655 ?
Dy1 O3 H3 113.9 . . ?
Dy2 O3 H3 113.9 2_655 . ?
Dy4 O3 Dy1 109.6(2) . . ?
Dy4 O3 Dy2 107.22(18) . 2_655 ?
Dy4 O3 H3 113.9 . . ?
Dy3 O4 Dy2 99.38(17) . . ?
C5 O4 Dy2 126.6(4) . . ?
C5 O4 Dy3 133.1(4) . . ?
Dy5 O5 Dy3 114.9(2) . . ?
C3 O5 Dy3 118.8(4) . . ?
C3 O5 Dy5 124.8(4) . . ?
Dy1 O6 Dy3 96.52(16) . 2_655 ?
Dy1 O6 Dy5 108.2(2) . . ?
Dy5 O6 Dy3 109.60(19) . 2_655 ?
N2 O7 Dy2 95.2(4) . . ?
N2 O8 Dy2 97.2(4) . . ?
Dy2 O9 Dy4 113.9(2) . . ?
C12 O9 Dy2 113.7(4) . . ?
C12 O9 Dy4 131.0(5) . . ?
C6 N11 Dy2 111.5(6) . . ?
C7 N11 Dy2 130.4(5) . . ?
C7 N11 C6 117.4(8) . . ?
N9 O10 Dy3 94.9(5) . . ?
N6 N7 Dy3 117.4(4) . . ?
C1 N7 Dy3 129.5(5) . . ?
C1 N7 N6 112.5(6) . . ?
Dy4 O11 H11 111.3(15) . . ?
C30 O11 Dy4 140.1(7) . . ?
C30 O11 H11 108.1(16) . . ?
O7 N2 Dy2 59.3(4) . . ?
O7 N2 O8 116.3(7) . . ?
O8 N2 Dy2 57.2(4) . . ?
O13 N2 Dy2 172.4(6) . . ?
O13 N2 O7 121.9(7) . . ?
O13 N2 O8 121.8(7) . . ?
N7 N6 H6 124.8 . . ?
C3 N6 N7 110.5(6) . . ?
C3 N6 H6 124.8 . . ?
Dy3 O12 H12 112.8(17) . . ?
C31 O12 Dy3 137.2(8) . . ?
C31 O12 H12 107(2) . . ?
N9 O14 Dy3 96.2(5) . . ?
C15 N10 Dy2 111.9(6) . . ?
C15 N10 C24 118.2(8) . . ?
C24 N10 Dy2 129.9(6) . . ?
C8 N5 Dy5 117.7(5) . . ?
C14 N5 Dy5 123.1(5) . . ?
C14 N5 C8 119.1(7) . . ?
N1 O15 Dy4 93.5(6) . . ?
N7 C1 H1 116.4 . . ?
N7 C1 C4 127.3(7) . . ?
C4 C1 H1 116.4 . . ?
C5 C2 H2A 118.5 . . ?
C5 C2 C9 123.1(8) . . ?
C9 C2 H2A 118.5 . . ?
O15 N1 Dy4 62.1(6) . . ?
O15 N1 Dy4 62.1(6) 2_655 . ?
O15 N1 O15 124.1(11) 2_655 . ?
O15 N1 O17 117.9(6) 2_655 . ?
O15 N1 O17 117.9(6) . . ?
O17 N1 Dy4 180.0 . . ?
O10 N9 Dy3 59.1(4) . . ?
O14 N9 Dy3 58.3(4) . . ?
O14 N9 O10 117.3(7) . . ?
O16 N9 Dy3 178.9(7) . . ?
O16 N9 O10 121.9(8) . . ?
O16 N9 O14 120.7(8) . . ?
O5 C3 C8 116.6(6) . . ?
N6 C3 O5 123.5(7) . . ?
N6 C3 C8 119.9(6) . . ?
C1 C4 C5 124.8(7) . . ?
C20 C4 C1 117.5(7) . . ?
C20 C4 C5 117.7(7) . . ?
O4 C5 C2 120.2(7) . . ?
O4 C5 C4 122.0(7) . . ?
C2 C5 C4 117.7(7) . . ?
N11 C6 C10 122.4(9) . . ?
N11 C6 C12 113.2(7) . . ?
C10 C6 C12 124.4(8) . . ?
N11 C7 H7 118.3 . . ?
N11 C7 C18 123.3(8) . . ?
C18 C7 H7 118.3 . . ?
C9 N8 C16 122.3(8) . . ?
C9 N8 C26 119.9(9) . . ?
C16 N8 C26 117.3(8) . . ?
N5 C8 C3 113.1(6) . . ?
N5 C8 C11 122.2(7) . . ?
C11 C8 C3 124.6(7) . . ?
N8 C9 C2 120.6(9) . . ?
N8 C9 C19 121.6(9) . . ?
C19 C9 C2 117.7(8) . . ?
C6 C10 H10 120.7 . . ?
C22 C10 C6 118.5(9) . . ?
C22 C10 H10 120.7 . . ?
C8 C11 H11A 120.9 . . ?
C8 C11 C21 118.3(8) . . ?
C21 C11 H11A 120.9 . . ?
O9 C12 C6 110.5(7) . . ?
O9 C12 H12A 110.3 . . ?
O9 C12 C15 108.6(7) . . ?
C6 C12 H12A 110.3 . . ?
C6 C12 C15 106.7(7) . . ?
C15 C12 H12A 110.3 . . ?
C15 C13 H13 120.8 . . ?
C17 C13 H13 120.8 . . ?
C17 C13 C15 118.4(10) . . ?
N5 C14 C14 115.1(5) . 2_655 ?
N5 C14 C25 121.7(8) . . ?
C25 C14 C14 123.1(5) . 2_655 ?
N10 C15 C12 115.1(7) . . ?
N10 C15 C13 121.6(9) . . ?
C13 C15 C12 123.2(9) . . ?
N8 C16 H16A 110.5 . . ?
N8 C16 H16B 110.5 . . ?
H16A C16 H16B 108.7 . . ?
C28 C16 N8 106.2(12) . . ?
C28 C16 H16A 110.5 . . ?
C28 C16 H16B 110.5 . . ?
C13 C17 H17 119.9 . . ?
C23 C17 C13 120.2(9) . . ?
C23 C17 H17 119.9 . . ?
C7 C18 H18 121.2 . . ?
C22 C18 C7 117.6(10) . . ?
C22 C18 H18 121.2 . . ?
C9 C19 H19 120.2 . . ?
C20 C19 C9 119.5(9) . . ?
C20 C19 H19 120.2 . . ?
C4 C20 H20 118.0 . . ?
C19 C20 C4 124.0(9) . . ?
C19 C20 H20 118.0 . . ?
C11 C21 H21 119.9 . . ?
C25 C21 C11 120.1(8) . . ?
C25 C21 H21 119.9 . . ?
C10 C22 H22 119.7 . . ?
C18 C22 C10 120.7(10) . . ?
C18 C22 H22 119.7 . . ?
C17 C23 H23 121.1 . . ?
C17 C23 C24 117.8(11) . . ?
C24 C23 H23 121.1 . . ?
N10 C24 C23 123.8(11) . . ?
N10 C24 H24 118.1 . . ?
C23 C24 H24 118.1 . . ?
C14 C25 H25 120.8 . . ?
C21 C25 C14 118.5(8) . . ?
C21 C25 H25 120.8 . . ?
N8 C26 H26A 108.8 . . ?
N8 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
C27 C26 N8 113.7(13) . . ?
C27 C26 H26A 108.8 . . ?
C27 C26 H26B 108.8 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C16 C28 H28A 109.5 . . ?
C16 C28 H28B 109.5 . . ?
C16 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O1 C29 H29A 109.5 . . ?
O1 C29 H29B 109.5 . . ?
O1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O11 C30 H30A 109.5 . . ?
O11 C30 H30B 109.5 . . ?
O11 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O12 C31 H31A 110.2 . . ?
O12 C31 H31B 108.4 . . ?
O12 C31 H31C 109.8 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.4 . . ?
Dy5 O23 H23A 127.8 . . ?
Dy5 O23 H23B 127.8 . . ?
H23A O23 H23B 104.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy2 O4 C5 C2 -48.4(11) . . . . ?
Dy2 O4 C5 C4 128.1(7) . . . . ?
Dy2 O7 N2 O8 -6.0(7) . . . . ?
Dy2 O7 N2 O13 171.2(7) . . . . ?
Dy2 O8 N2 O7 6.1(7) . . . . ?
Dy2 O8 N2 O13 -171.1(7) . . . . ?
Dy2 O9 C12 C6 59.8(8) . . . . ?
Dy2 O9 C12 C15 -56.9(7) . . . . ?
Dy2 N11 C6 C10 -170.1(7) . . . . ?
Dy2 N11 C6 C12 10.4(9) . . . . ?
Dy2 N11 C7 C18 168.0(7) . . . . ?
Dy2 N10 C15 C12 -5.0(9) . . . . ?
Dy2 N10 C15 C13 179.7(7) . . . . ?
Dy2 N10 C24 C23 -178.7(7) . . . . ?
Dy3 O4 C5 C2 145.0(6) . . . . ?
Dy3 O4 C5 C4 -38.6(12) . . . . ?
Dy3 O5 C3 N6 24.9(11) . . . . ?
Dy3 O5 C3 C8 -152.7(6) . . . . ?
Dy3 O10 N9 O14 -0.7(9) . . . . ?
Dy3 O10 N9 O16 -179.5(10) . . . . ?
Dy3 N7 N6 C3 -16.5(8) . . . . ?
Dy3 N7 C1 C4 5.8(14) . . . . ?
Dy3 O14 N9 O10 0.7(9) . . . . ?
Dy3 O14 N9 O16 179.5(9) . . . . ?
Dy4 O9 C12 C6 -105.6(7) . . . . ?
Dy4 O9 C12 C15 137.6(6) . . . . ?
Dy4 O15 N1 O15 -0.001(1) . . . 2_655 ?
Dy4 O15 N1 O17 180.000(1) . . . . ?
Dy5 O5 C3 N6 -169.1(6) . . . . ?
Dy5 O5 C3 C8 13.2(11) . . . . ?
Dy5 N5 C8 C3 -8.0(11) . . . . ?
Dy5 N5 C8 C11 174.6(8) . . . . ?
Dy5 N5 C14 C14 2.4(17) . . . 2_655 ?
Dy5 N5 C14 C25 -175.9(8) . . . . ?
O5 C3 C8 N5 -2.2(12) . . . . ?
O5 C3 C8 C11 175.2(9) . . . . ?
O9 C12 C15 N10 38.2(10) . . . . ?
O9 C12 C15 C13 -146.6(8) . . . . ?
N11 C6 C10 C22 0.1(15) . . . . ?
N11 C6 C12 O9 -43.6(10) . . . . ?
N11 C6 C12 C15 74.4(8) . . . . ?
N11 C7 C18 C22 0.0(16) . . . . ?
N7 N6 C3 O5 -4.5(12) . . . . ?
N7 N6 C3 C8 173.1(8) . . . . ?
N7 C1 C4 C5 5.2(16) . . . . ?
N7 C1 C4 C20 -171.6(9) . . . . ?
N6 N7 C1 C4 176.6(8) . . . . ?
N6 C3 C8 N5 -179.9(8) . . . . ?
N6 C3 C8 C11 -2.6(15) . . . . ?
N5 C8 C11 C21 2.9(16) . . . . ?
N5 C14 C25 C21 0.1(18) . . . . ?
C1 N7 N6 C3 171.5(8) . . . . ?
C1 C4 C5 O4 9.7(14) . . . . ?
C1 C4 C5 C2 -173.7(9) . . . . ?
C1 C4 C20 C19 175.8(11) . . . . ?
C2 C9 C19 C20 5.6(17) . . . . ?
C3 C8 C11 C21 -174.2(10) . . . . ?
C5 C2 C9 N8 179.1(10) . . . . ?
C5 C2 C9 C19 -3.7(16) . . . . ?
C5 C4 C20 C19 -1.2(17) . . . . ?
C6 N11 C7 C18 -1.2(13) . . . . ?
C6 C10 C22 C18 -1.3(17) . . . . ?
C6 C12 C15 N10 -81.0(9) . . . . ?
C6 C12 C15 C13 94.3(10) . . . . ?
C7 N11 C6 C10 1.1(13) . . . . ?
C7 N11 C6 C12 -178.4(8) . . . . ?
C7 C18 C22 C10 1.3(17) . . . . ?
N8 C9 C19 C20 -177.3(11) . . . . ?
C8 N5 C14 C14 178.7(11) . . . 2_655 ?
C8 N5 C14 C25 0.4(16) . . . . ?
C8 C11 C21 C25 -2.3(18) . . . . ?
C9 C2 C5 O4 176.0(9) . . . . ?
C9 C2 C5 C4 -0.6(14) . . . . ?
C9 N8 C16 C28 -87.6(14) . . . . ?
C9 N8 C26 C27 -81.8(16) . . . . ?
C9 C19 C20 C4 -3.2(19) . . . . ?
C10 C6 C12 O9 136.8(9) . . . . ?
C10 C6 C12 C15 -105.2(10) . . . . ?
C11 C21 C25 C14 0.9(18) . . . . ?
C12 C6 C10 C22 179.6(10) . . . . ?
C13 C17 C23 C24 0.6(16) . . . . ?
C14 N5 C8 C3 175.5(9) . . . . ?
C14 N5 C8 C11 -1.9(15) . . . . ?
C14 C14 C25 C21 -178.0(14) 2_655 . . . ?
C15 N10 C24 C23 -0.9(14) . . . . ?
C15 C13 C17 C23 0.0(16) . . . . ?
C16 N8 C9 C2 -5.1(17) . . . . ?
C16 N8 C9 C19 177.8(11) . . . . ?
C16 N8 C26 C27 106.2(15) . . . . ?
C17 C13 C15 N10 -1.1(14) . . . . ?
C17 C13 C15 C12 -176.0(9) . . . . ?
C17 C23 C24 N10 -0.1(16) . . . . ?
C20 C4 C5 O4 -173.5(9) . . . . ?
C20 C4 C5 C2 3.0(13) . . . . ?
C24 N10 C15 C12 176.8(8) . . . . ?
C24 N10 C15 C13 1.5(13) . . . . ?
C26 N8 C9 C2 -176.7(11) . . . . ?
C26 N8 C9 C19 6.3(18) . . . . ?
C26 N8 C16 C28 84.1(14) . . . . ?

_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 1.449
_oxdiff_exptl_absorpt_empirical_full_min 0.766
