# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_NYS-LN-50-100K
_database_code_depnum_ccdc_archive 'CCDC 2291880'
loop_
_audit_author_name
_audit_author_address
'Shui Yu'
;Shui Yu
China
;
_audit_update_record             
;
2023-08-30 deposited with the CCDC.	2024-02-07 downloaded from the CCDC.
;
_audit_creation_date             2022-03-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C86 H74 Br10 Dy4 N8 O14, 5(C2 H3 N)'
_chemical_formula_sum            'C96 H89 Br10 Dy4 N13 O14'
_chemical_formula_weight         3097.90
_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'
Br Br -0.2901 2.4595 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.4150(2)
_cell_length_b                   14.6798(3)
_cell_length_c                   15.0212(2)
_cell_angle_alpha                108.858(2)
_cell_angle_beta                 103.1540(10)
_cell_angle_gamma                110.262(2)
_cell_volume                     2607.36(9)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    17312
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.5350
_cell_measurement_theta_min      1.5500
_shelx_estimated_absorpt_T_max   0.377
_shelx_estimated_absorpt_T_min   0.274
_exptl_absorpt_coefficient_mu    6.730
_exptl_absorpt_correction_T_max  0.298
_exptl_absorpt_correction_T_min  0.217
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.64a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.973
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1482
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0652
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.814
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35601
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.814
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.412
_diffrn_reflns_theta_min         1.550
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.814
_diffrn_measurement_device_type  'ROD, Synergy Custom DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8981
_reflns_number_total             11732
_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 1.171.41.64a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.64a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.64a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.008
_refine_diff_density_min         -1.947
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         11732
_refine_ls_number_restraints     95
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0423
_refine_ls_restrained_S_all      1.100
_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)+(0.0516P)²+2.6296P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1045
_refine_ls_wR_factor_ref         0.1112
_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) groups
2. Restrained distances
 N6-C46
 1.16 with sigma of 0.01
 C46-C47
 1.46 with sigma of 0.01
 N7-C48
 1.18 with sigma of 0.01
 C48-C49
 1.46 with sigma of 0.01
 N7-C49
 2.65 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C22 \\sim Br3 \\sim Br3': within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
N7 \\sim C48 \\sim C49: within 2A with sigma of 0.02 and sigma for terminal
atoms of 0.01
Uanis(C47) \\sim Ueq, Uanis(Br1) \\sim Ueq, Uanis(Br1') \\sim Ueq, Uanis(Br2)
\\sim Ueq, Uanis(Br2') \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(Br3) \\sim Ueq, Uanis(Br3') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N7) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C49) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(Br2) = Uanis(Br2')
Uanis(Br1) = Uanis(Br1')
4. Others
 Sof(H9')=Sof(C10')=Sof(H10D)=Sof(H10E)=Sof(H10F)=1-FVAR(1)
 Sof(H9)=Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=FVAR(1)
 Sof(H34')=Sof(C35')=Sof(H35D)=Sof(H35E)=Sof(H35F)=1-FVAR(2)
 Sof(H34)=Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=FVAR(2)
 Fixed Sof: Br1(0.5) Br1'(0.5) Br2(0.5) Br2'(0.5) Br3(0.5) Br3'(0.5) N7(0.5)
 C48(0.5) C49(0.5) H49A(0.5) H49B(0.5) H49C(0.5)
5.a Riding coordinates:
 O1(H1), C9(H9), C10(H9'), C34(H34), C35(H34')
5.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C11(H11A,H11B), C33(H33A,H33B), C36(H36A,H36B)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C7(H7), C12(H12), C14(H14), C16(H16), C17(H17),
 C20(H20), C21(H21), C23(H23), C25(H25), C27(H27), C28(H28), C30(H30), C32(H32),
  C37(H37), C39(H39), C41(H41), C42(H42)
5.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C10'(H10D,H10E,H10F), C35(H35A,H35B,H35C), C35'(H35D,
 H35E,H35F), C45(H45A,H45B,H45C), C47(H47A,H47B,H47C), C49(H49A,H49B,H49C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.60725(2) 0.49557(2) 0.71046(2) 0.01929(8) Uani 1 1 d . . . . .
Dy2 Dy 0.59865(2) 0.64493(2) 0.53774(2) 0.01630(8) Uani 1 1 d . . . . .
O1 O 0.5001(3) 0.5307(3) 0.5984(3) 0.0169(8) Uani 1 1 d . . . . .
H1 H 0.4533 0.5573 0.6271 0.025 Uiso 1 1 d R . . . .
O2 O 0.4545(3) 0.3301(3) 0.6225(3) 0.0238(9) Uani 1 1 d . . . . .
O3 O 0.7109(3) 0.6464(3) 0.6927(3) 0.0214(8) Uani 1 1 d . . . . .
N1 N 0.4679(4) 0.5193(4) 0.7783(3) 0.0237(11) Uani 1 1 d . . . . .
N2 N 0.6957(4) 0.6522(4) 0.8851(4) 0.0304(12) Uani 1 1 d . . . . .
N3 N 0.5782(3) 0.7816(3) 0.6691(3) 0.0183(10) Uani 1 1 d . . . . .
N4 N 0.7416(4) 0.8271(4) 0.5769(4) 0.0248(11) Uani 1 1 d . . . . .
Br1 Br 0.119(2) 0.0859(17) 0.7412(13) 0.0526(15) Uani 0.5 1 d . U P A 1
Br1' Br 0.120(2) 0.0777(17) 0.7524(13) 0.0526(15) Uani 0.5 1 d . U P A 2
Br2 Br 1.170(3) 0.987(3) 0.956(3) 0.0445(9) Uani 0.5 1 d . U P B 1
Br2' Br 1.170(3) 0.984(3) 0.957(3) 0.0445(9) Uani 0.5 1 d . U P B 2
Br3 Br 1.0311(2) 0.3218(2) 0.94547(17) 0.0488(5) Uani 0.5 1 d . U P C 1
Br3' Br 1.0114(6) 0.3062(5) 0.9435(5) 0.180(3) Uani 0.5 1 d . U P C 2
Br4 Br 0.09757(5) 0.68353(6) 0.64381(6) 0.0453(2) Uani 1 1 d . . . . .
Br5 Br 1.11547(6) 0.81733(6) 0.40546(6) 0.0479(2) Uani 1 1 d . . . . .
C1 C 0.3894(5) 0.2808(5) 0.6608(4) 0.0282(14) Uani 1 1 d . . . . .
C2 C 0.3572(5) 0.1695(5) 0.6341(5) 0.0356(16) Uani 1 1 d . . . . .
H2 H 0.3898 0.1342 0.5970 0.043 Uiso 1 1 calc R . . . .
C3 C 0.2792(6) 0.1110(6) 0.6609(5) 0.0409(18) Uani 1 1 d . . . . .
H3 H 0.2579 0.0362 0.6415 0.049 Uiso 1 1 calc R . . . .
C4 C 0.2328(5) 0.1629(6) 0.7160(5) 0.0384(18) Uani 1 1 d . . . . .
C5 C 0.2659(5) 0.2712(5) 0.7483(5) 0.0346(16) Uani 1 1 d . . . . .
H5 H 0.2345 0.3057 0.7879 0.041 Uiso 1 1 calc R . . . .
C6 C 0.3457(5) 0.3319(5) 0.7236(4) 0.0257(13) Uani 1 1 d . . . . .
C7 C 0.3806(5) 0.4480(5) 0.7678(4) 0.0250(13) Uani 1 1 d . . . . .
H7 H 0.3335 0.4723 0.7909 0.030 Uiso 1 1 calc R . . . .
C8 C 0.4891(5) 0.6325(5) 0.8304(5) 0.0280(14) Uani 1 1 d . . . . .
H8A H 0.4207 0.6362 0.8229 0.034 Uiso 1 1 calc R . . . .
H8B H 0.5270 0.6754 0.7993 0.034 Uiso 1 1 calc R . . . .
C9 C 0.5586(6) 0.6797(5) 0.9446(5) 0.0375(17) Uani 1 1 d . . . . .
H9 H 0.5948 0.7601 0.9707 0.045 Uiso 0.516(14) 1 d R . P D 1
C10 C 0.5020(10) 0.6580(10) 1.0114(9) 0.035(4) Uani 0.516(14) 1 d . . P D 1
H10A H 0.4571 0.6951 1.0152 0.053 Uiso 0.516(14) 1 calc GR . P D 1
H10B H 0.5543 0.6844 1.0797 0.053 Uiso 0.516(14) 1 calc GR . P D 1
H10C H 0.4569 0.5800 0.9836 0.053 Uiso 0.516(14) 1 calc GR . P D 1
H9' H 0.5100 0.6485 0.9781 0.042 Uiso 0.484(14) 1 d R . P D 2
C10' C 0.5853(13) 0.7934(12) 0.9859(13) 0.063(6) Uani 0.484(14) 1 d . . P D 2
H10D H 0.6316 0.8287 0.9560 0.095 Uiso 0.484(14) 1 calc GR . P D 2
H10E H 0.6229 0.8271 1.0599 0.095 Uiso 0.484(14) 1 calc GR . P D 2
H10F H 0.5196 0.8013 0.9695 0.095 Uiso 0.484(14) 1 calc GR . P D 2
C11 C 0.6454(5) 0.6449(6) 0.9592(4) 0.0375(17) Uani 1 1 d . . . . .
H11A H 0.7003 0.6916 1.0291 0.045 Uiso 1 1 calc R . . . .
H11B H 0.6146 0.5694 0.9505 0.045 Uiso 1 1 calc R . . . .
C12 C 0.7869(5) 0.7351(5) 0.9192(4) 0.0278(14) Uani 1 1 d . . . . .
H12 H 0.8151 0.7828 0.9896 0.033 Uiso 1 1 calc R . . . .
C13 C 0.8516(5) 0.7639(5) 0.8620(4) 0.0265(13) Uani 1 1 d . . . . .
C14 C 0.9580(5) 0.8440(5) 0.9208(5) 0.0282(14) Uani 1 1 d . . . . .
H14 H 0.9824 0.8763 0.9930 0.034 Uiso 1 1 calc R . . . .
C15 C 1.0267(5) 0.8757(5) 0.8750(5) 0.0312(15) Uani 1 1 d . . . . .
C16 C 0.9937(5) 0.8267(5) 0.7700(5) 0.0282(14) Uani 1 1 d . . . . .
H16 H 1.0423 0.8477 0.7387 0.034 Uiso 1 1 calc R . . . .
C17 C 0.8904(5) 0.7475(5) 0.7114(4) 0.0262(13) Uani 1 1 d . . . . .
H17 H 0.8697 0.7138 0.6396 0.031 Uiso 1 1 calc R . . . .
C18 C 0.8149(4) 0.7146(5) 0.7523(4) 0.0242(13) Uani 1 1 d . . . . .
O4 O 0.7681(3) 0.4993(4) 0.7567(3) 0.0331(10) Uani 1 1 d . . . . .
O5 O 0.6136(4) 0.4041(4) 0.8177(4) 0.0436(12) Uani 1 1 d . . . . .
C19 C 0.8214(5) 0.4593(5) 0.7988(5) 0.0356(16) Uani 1 1 d . . . . .
C20 C 0.9250(6) 0.4796(7) 0.7981(6) 0.050(2) Uani 1 1 d . . . . .
H20 H 0.9545 0.5242 0.7679 0.060 Uiso 1 1 calc R . . . .
C21 C 0.9826(8) 0.4378(8) 0.8387(6) 0.064(2) Uani 1 1 d . . . . .
H21 H 1.0516 0.4530 0.8370 0.077 Uiso 1 1 calc R . . . .
C22 C 0.9411(8) 0.3724(7) 0.8831(6) 0.064(2) Uani 1 1 d . U . . .
C23 C 0.8395(7) 0.3501(6) 0.8895(6) 0.060(2) Uani 1 1 d . . . . .
H23 H 0.8120 0.3065 0.9213 0.072 Uiso 1 1 calc R . . . .
C24 C 0.7803(6) 0.3959(6) 0.8459(5) 0.0419(17) Uani 1 1 d . . . . .
C25 C 0.6804(7) 0.3745(6) 0.8518(6) 0.054(2) Uani 1 1 d . . . . .
H25 H 0.6599 0.3318 0.8864 0.064 Uiso 1 1 calc R . . . .
O6 O 0.4162(3) 0.6087(3) 0.4674(3) 0.0192(8) Uani 1 1 d . . . . .
O7 O 0.7144(3) 0.6134(3) 0.4739(3) 0.0197(8) Uani 1 1 d . . . . .
C26 C 0.3488(4) 0.6242(4) 0.5101(4) 0.0204(12) Uani 1 1 d . . . . .
C27 C 0.2375(5) 0.5609(5) 0.4554(4) 0.0260(13) Uani 1 1 d . . . . .
H27 H 0.2125 0.5035 0.3897 0.031 Uiso 1 1 calc R . . . .
C28 C 0.1639(5) 0.5785(5) 0.4929(5) 0.0280(14) Uani 1 1 d . . . . .
H28 H 0.0896 0.5362 0.4524 0.034 Uiso 1 1 calc R . . . .
C29 C 0.1984(5) 0.6584(5) 0.5902(5) 0.0294(14) Uani 1 1 d . . . . .
C30 C 0.3059(5) 0.7206(5) 0.6485(5) 0.0288(14) Uani 1 1 d . . . . .
H30 H 0.3288 0.7746 0.7155 0.035 Uiso 1 1 calc R . . . .
C31 C 0.3827(4) 0.7052(4) 0.6100(4) 0.0218(12) Uani 1 1 d . . . . .
C32 C 0.4929(4) 0.7804(4) 0.6802(4) 0.0230(13) Uani 1 1 d . . . . .
H32 H 0.5021 0.8350 0.7416 0.028 Uiso 1 1 calc R . . . .
C33 C 0.6794(4) 0.8688(4) 0.7542(4) 0.0239(13) Uani 1 1 d . . . . .
H33A H 0.7287 0.8384 0.7712 0.029 Uiso 1 1 calc R . . . .
H33B H 0.6641 0.8989 0.8152 0.029 Uiso 1 1 calc R . . . .
C34 C 0.7334(5) 0.9597(5) 0.7259(5) 0.0319(15) Uani 1 1 d . . . . .
H34 H 0.6983 1.0080 0.7390 0.038 Uiso 0.735(13) 1 d R . P E 1
C35 C 0.8472(7) 1.0280(7) 0.7896(7) 0.044(3) Uani 0.735(13) 1 d . . P E 1
H35A H 0.8560 1.0633 0.8607 0.066 Uiso 0.735(13) 1 calc GR . P E 1
H35B H 0.8773 1.0831 0.7670 0.066 Uiso 0.735(13) 1 calc GR . P E 1
H35C H 0.8847 0.9833 0.7839 0.066 Uiso 0.735(13) 1 calc GR . P E 1
H34' H 0.8123 0.9899 0.7631 0.052 Uiso 0.265(13) 1 d R . P E 2
C35' C 0.714(2) 1.0505(19) 0.7726(18) 0.035(7) Uani 0.265(13) 1 d . . P E 2
H35D H 0.7388 1.1034 0.7463 0.053 Uiso 0.265(13) 1 calc GR . P E 2
H35E H 0.7519 1.0845 0.8466 0.053 Uiso 0.265(13) 1 calc GR . P E 2
H35F H 0.6367 1.0250 0.7565 0.053 Uiso 0.265(13) 1 calc GR . P E 2
C36 C 0.7151(5) 0.9179(4) 0.6130(5) 0.0271(14) Uani 1 1 d . . . . .
H36A H 0.6392 0.8937 0.5728 0.033 Uiso 1 1 calc R . . . .
H36B H 0.7596 0.9779 0.6012 0.033 Uiso 1 1 calc R . . . .
C37 C 0.8225(4) 0.8483(5) 0.5494(4) 0.0243(13) Uani 1 1 d . . . . .
H37 H 0.8629 0.9218 0.5645 0.029 Uiso 1 1 calc R . . . .
C38 C 0.8585(4) 0.7746(5) 0.4991(4) 0.0224(12) Uani 1 1 d . . . . .
C39 C 0.9511(5) 0.8188(5) 0.4804(5) 0.0268(14) Uani 1 1 d . . . . .
H39 H 0.9897 0.8950 0.5061 0.032 Uiso 1 1 calc R . . . .
C40 C 0.9868(5) 0.7539(5) 0.4258(5) 0.0284(14) Uani 1 1 d . . . . .
C41 C 0.9303(5) 0.6415(5) 0.3849(4) 0.0267(13) Uani 1 1 d . . . . .
H41 H 0.9546 0.5967 0.3459 0.032 Uiso 1 1 calc R . . . .
C42 C 0.8397(4) 0.5968(5) 0.4016(4) 0.0223(12) Uani 1 1 d . . . . .
H42 H 0.8017 0.5203 0.3738 0.027 Uiso 1 1 calc R . . . .
C43 C 0.8008(4) 0.6595(4) 0.4583(4) 0.0201(12) Uani 1 1 d . . . . .
N5 N 0.5533(7) 0.0378(6) 0.4081(6) 0.071(2) Uani 1 1 d . . . . .
C44 C 0.5847(6) 0.1066(6) 0.4871(7) 0.051(2) Uani 1 1 d . . . . .
C45 C 0.6233(6) 0.1923(6) 0.5871(6) 0.0476(19) Uani 1 1 d . . . . .
H45A H 0.5728 0.2227 0.5905 0.071 Uiso 1 1 calc GR . . . .
H45B H 0.6934 0.2490 0.6016 0.071 Uiso 1 1 calc GR . . . .
H45C H 0.6302 0.1637 0.6375 0.071 Uiso 1 1 calc GR . . . .
N6 N 0.2460(10) 0.6015(10) 0.8751(9) 0.133(4) Uani 1 1 d D . . . .
C46 C 0.2124(12) 0.6647(8) 0.8787(9) 0.092(4) Uani 1 1 d D . . . .
C47 C 0.1915(15) 0.7538(12) 0.9279(11) 0.193(8) Uani 1 1 d D U . . .
H47A H 0.1437 0.7327 0.9625 0.290 Uiso 1 1 calc GR . . . .
H47B H 0.1576 0.7723 0.8767 0.290 Uiso 1 1 calc GR . . . .
H47C H 0.2591 0.8167 0.9779 0.290 Uiso 1 1 calc GR . . . .
N7 N 0.592(2) 1.105(2) 0.849(2) 0.183(9) Uani 0.5 1 d D U P . .
C48 C 0.504(2) 1.052(3) 0.845(3) 0.163(8) Uani 0.5 1 d D U P . .
C49 C 0.393(2) 1.014(2) 0.831(2) 0.138(8) Uani 0.5 1 d D U P . .
H49A H 0.3749 1.0743 0.8444 0.207 Uiso 0.5 1 calc GR . P . .
H49B H 0.3792 0.9821 0.8775 0.207 Uiso 0.5 1 calc GR . P . .
H49C H 0.3483 0.9588 0.7603 0.207 Uiso 0.5 1 calc GR . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.5659(4) 2_666 ?
Dy1 Dy2 3.9082(4) . ?
Dy1 O1 2.326(4) . ?
Dy1 O2 2.321(4) . ?
Dy1 O3 2.340(4) . ?
Dy1 N1 2.526(5) . ?
Dy1 N2 2.519(5) . ?
Dy1 O4 2.240(4) . ?
Dy1 O5 2.413(5) . ?
Dy1 O6 2.487(4) 2_666 ?
Dy2 Dy1 3.5659(4) 2_666 ?
Dy2 Dy2 3.8095(5) 2_666 ?
Dy2 O1 2.364(3) . ?
Dy2 O1 2.362(3) 2_666 ?
Dy2 O2 2.538(4) 2_666 ?
Dy2 O3 2.503(4) . ?
Dy2 N3 2.474(5) . ?
Dy2 N4 2.522(5) . ?
Dy2 O6 2.392(4) . ?
Dy2 O7 2.212(4) . ?
O1 Dy2 2.362(3) 2_666 ?
O1 H1 1.0000 . ?
O2 Dy2 2.538(4) 2_666 ?
O2 C1 1.334(7) . ?
O3 C18 1.350(7) . ?
N1 C7 1.264(7) . ?
N1 C8 1.472(8) . ?
N2 C11 1.471(8) . ?
N2 C12 1.286(7) . ?
N3 C32 1.274(7) . ?
N3 C33 1.483(7) . ?
N4 C36 1.482(7) . ?
N4 C37 1.295(7) . ?
Br1 C4 1.84(2) . ?
Br1' C4 1.99(2) . ?
Br2 C15 1.91(3) . ?
Br2' C15 1.90(3) . ?
Br3 C22 1.917(8) . ?
Br3' C22 1.905(10) . ?
Br4 C29 1.900(6) . ?
Br5 C40 1.910(5) . ?
C1 C2 1.419(9) . ?
C1 C6 1.411(9) . ?
C2 H2 0.9500 . ?
C2 C3 1.387(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.383(10) . ?
C4 C5 1.365(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.397(8) . ?
C6 C7 1.457(8) . ?
C7 H7 0.9500 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.548(9) . ?
C9 H9 1.0000 . ?
C9 C10 1.474(13) . ?
C9 H9' 1.0192 . ?
C9 C10' 1.447(18) . ?
C9 C11 1.507(10) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10' H10D 0.9800 . ?
C10' H10E 0.9800 . ?
C10' H10F 0.9800 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12 0.9500 . ?
C12 C13 1.454(8) . ?
C13 C14 1.407(8) . ?
C13 C18 1.445(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.367(9) . ?
C15 C16 1.385(9) . ?
C16 H16 0.9500 . ?
C16 C17 1.373(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.389(8) . ?
O4 C19 1.291(8) . ?
O5 C25 1.259(9) . ?
C19 C20 1.421(10) . ?
C19 C24 1.398(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.342(11) . ?
C21 H21 0.9500 . ?
C21 C22 1.386(13) . ?
C22 C23 1.419(13) . ?
C23 H23 0.9500 . ?
C23 C24 1.427(11) . ?
C24 C25 1.394(11) . ?
C25 H25 0.9500 . ?
O6 Dy1 2.487(4) 2_666 ?
O6 C26 1.323(6) . ?
O7 C43 1.310(6) . ?
C26 C27 1.409(8) . ?
C26 C31 1.420(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.372(8) . ?
C28 H28 0.9500 . ?
C28 C29 1.384(9) . ?
C29 C30 1.374(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.410(8) . ?
C31 C32 1.457(8) . ?
C32 H32 0.9500 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.539(8) . ?
C34 H34 1.0000 . ?
C34 C35 1.463(10) . ?
C34 H34' 1.0028 . ?
C34 C35' 1.45(2) . ?
C34 C36 1.527(8) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35' H35D 0.9800 . ?
C35' H35E 0.9800 . ?
C35' H35F 0.9800 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37 0.9500 . ?
C37 C38 1.432(8) . ?
C38 C39 1.404(8) . ?
C38 C43 1.431(8) . ?
C39 H39 0.9500 . ?
C39 C40 1.367(9) . ?
C40 C41 1.396(8) . ?
C41 H41 0.9500 . ?
C41 C42 1.364(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.399(8) . ?
N5 C44 1.138(10) . ?
C44 C45 1.436(12) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
N6 C46 1.178(8) . ?
C46 C47 1.449(9) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
N7 C48 1.208(9) . ?
C48 C49 1.446(9) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?

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 61.083(7) 2_666 . ?
O1 Dy1 Dy2 40.86(9) . 2_666 ?
O1 Dy1 Dy2 33.87(8) . . ?
O1 Dy1 O3 69.25(12) . . ?
O1 Dy1 N1 72.97(14) . . ?
O1 Dy1 N2 109.67(15) . . ?
O1 Dy1 O5 146.43(14) . . ?
O1 Dy1 O6 69.61(12) . 2_666 ?
O2 Dy1 Dy2 105.95(9) . . ?
O2 Dy1 Dy2 45.20(9) . 2_666 ?
O2 Dy1 O1 78.71(13) . . ?
O2 Dy1 O3 142.61(13) . . ?
O2 Dy1 N1 73.54(14) . . ?
O2 Dy1 N2 137.23(14) . . ?
O2 Dy1 O5 74.37(15) . . ?
O2 Dy1 O6 65.99(12) . 2_666 ?
O3 Dy1 Dy2 97.46(9) . 2_666 ?
O3 Dy1 Dy2 37.63(9) . . ?
O3 Dy1 N1 112.97(14) . . ?
O3 Dy1 N2 73.91(14) . . ?
O3 Dy1 O5 142.04(15) . . ?
O3 Dy1 O6 84.69(12) . 2_666 ?
N1 Dy1 Dy2 87.12(11) . 2_666 ?
N1 Dy1 Dy2 99.77(11) . . ?
N2 Dy1 Dy2 101.11(12) . . ?
N2 Dy1 Dy2 148.52(12) . 2_666 ?
N2 Dy1 N1 69.66(16) . . ?
O4 Dy1 Dy2 108.55(11) . . ?
O4 Dy1 Dy2 127.90(11) . 2_666 ?
O4 Dy1 O1 141.17(14) . . ?
O4 Dy1 O2 119.38(15) . . ?
O4 Dy1 O3 78.94(15) . . ?
O4 Dy1 N1 142.52(15) . . ?
O4 Dy1 N2 80.99(17) . . ?
O4 Dy1 O5 71.18(16) . . ?
O4 Dy1 O6 86.21(14) . 2_666 ?
O5 Dy1 Dy2 179.67(13) . . ?
O5 Dy1 Dy2 119.23(11) . 2_666 ?
O5 Dy1 N1 80.40(17) . . ?
O5 Dy1 N2 78.67(17) . . ?
O5 Dy1 O6 115.35(15) . 2_666 ?
O6 Dy1 Dy2 64.77(9) 2_666 . ?
O6 Dy1 Dy2 42.01(8) 2_666 2_666 ?
O6 Dy1 N1 128.84(14) 2_666 . ?
O6 Dy1 N2 156.78(14) 2_666 . ?
Dy1 Dy2 Dy1 118.916(8) 2_666 . ?
Dy1 Dy2 Dy2 63.895(8) 2_666 2_666 ?
Dy2 Dy2 Dy1 55.021(7) 2_666 . ?
O1 Dy2 Dy1 33.26(9) . . ?
O1 Dy2 Dy1 40.11(9) 2_666 2_666 ?
O1 Dy2 Dy1 93.16(8) . 2_666 ?
O1 Dy2 Dy1 84.97(8) 2_666 . ?
O1 Dy2 Dy2 36.27(8) . 2_666 ?
O1 Dy2 Dy2 36.31(8) 2_666 2_666 ?
O1 Dy2 O1 72.58(13) 2_666 . ?
O1 Dy2 O2 73.85(12) 2_666 2_666 ?
O1 Dy2 O2 132.03(12) . 2_666 ?
O1 Dy2 O3 111.88(12) 2_666 . ?
O1 Dy2 O3 65.95(12) . . ?
O1 Dy2 N3 81.71(13) . . ?
O1 Dy2 N3 141.75(13) 2_666 . ?
O1 Dy2 N4 138.55(13) 2_666 . ?
O1 Dy2 N4 148.27(14) . . ?
O1 Dy2 O6 70.69(12) 2_666 . ?
O1 Dy2 O6 72.90(12) . . ?
O2 Dy2 Dy1 158.58(9) 2_666 . ?
O2 Dy2 Dy1 40.48(8) 2_666 2_666 ?
O2 Dy2 Dy2 104.07(8) 2_666 2_666 ?
O3 Dy2 Dy1 34.81(8) . . ?
O3 Dy2 Dy1 151.22(9) . 2_666 ?
O3 Dy2 Dy2 88.75(8) . 2_666 ?
O3 Dy2 O2 160.87(12) . 2_666 ?
O3 Dy2 N4 90.72(14) . . ?
N3 Dy2 Dy1 116.61(10) . 2_666 ?
N3 Dy2 Dy1 88.79(10) . . ?
N3 Dy2 Dy2 113.42(10) . 2_666 ?
N3 Dy2 O2 105.78(14) . 2_666 ?
N3 Dy2 O3 81.25(14) . . ?
N3 Dy2 N4 73.34(14) . . ?
N4 Dy2 Dy1 125.28(11) . . ?
N4 Dy2 Dy1 115.30(11) . 2_666 ?
N4 Dy2 Dy2 173.03(11) . 2_666 ?
N4 Dy2 O2 74.82(14) . 2_666 ?
O6 Dy2 Dy1 44.08(8) . 2_666 ?
O6 Dy2 Dy1 106.12(8) . . ?
O6 Dy2 Dy2 67.20(9) . 2_666 ?
O6 Dy2 O2 64.18(12) . 2_666 ?
O6 Dy2 O3 134.80(12) . . ?
O6 Dy2 N3 75.00(13) . . ?
O6 Dy2 N4 117.51(15) . . ?
O7 Dy2 Dy1 98.18(10) . . ?
O7 Dy2 Dy1 90.97(10) . 2_666 ?
O7 Dy2 Dy2 99.32(9) . 2_666 ?
O7 Dy2 O1 121.93(13) . . ?
O7 Dy2 O1 74.45(12) . 2_666 ?
O7 Dy2 O2 79.46(13) . 2_666 ?
O7 Dy2 O3 84.54(13) . . ?
O7 Dy2 N3 143.78(13) . . ?
O7 Dy2 N4 73.71(14) . . ?
O7 Dy2 O6 134.96(13) . . ?
Dy1 O1 Dy2 99.03(13) . 2_666 ?
Dy1 O1 Dy2 112.87(14) . . ?
Dy1 O1 H1 112.2 . . ?
Dy2 O1 Dy2 107.42(13) 2_666 . ?
Dy2 O1 H1 112.2 2_666 . ?
Dy2 O1 H1 112.3 . . ?
Dy1 O2 Dy2 94.32(12) . 2_666 ?
C1 O2 Dy1 127.2(3) . . ?
C1 O2 Dy2 127.2(4) . 2_666 ?
Dy1 O3 Dy2 107.56(14) . . ?
C18 O3 Dy1 124.3(3) . . ?
C18 O3 Dy2 127.9(3) . . ?
C7 N1 Dy1 129.1(4) . . ?
C7 N1 C8 116.4(5) . . ?
C8 N1 Dy1 114.4(3) . . ?
C11 N2 Dy1 118.1(4) . . ?
C12 N2 Dy1 125.6(4) . . ?
C12 N2 C11 115.9(5) . . ?
C32 N3 Dy2 128.8(4) . . ?
C32 N3 C33 115.3(5) . . ?
C33 N3 Dy2 115.2(3) . . ?
C36 N4 Dy2 114.9(3) . . ?
C37 N4 Dy2 128.3(4) . . ?
C37 N4 C36 114.9(5) . . ?
O2 C1 C2 119.3(6) . . ?
O2 C1 C6 123.6(5) . . ?
C6 C1 C2 117.0(5) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 C1 121.7(7) . . ?
C3 C2 H2 119.2 . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.1(6) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 Br1 120.8(10) . . ?
C3 C4 Br1' 118.7(10) . . ?
C5 C4 Br1 118.0(11) . . ?
C5 C4 Br1' 120.1(10) . . ?
C5 C4 C3 121.1(6) . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.6(7) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C7 123.5(5) . . ?
C5 C6 C1 120.3(6) . . ?
C5 C6 C7 116.2(6) . . ?
N1 C7 C6 125.8(6) . . ?
N1 C7 H7 117.1 . . ?
C6 C7 H7 117.1 . . ?
N1 C8 H8A 109.8 . . ?
N1 C8 H8B 109.8 . . ?
N1 C8 C9 109.4(5) . . ?
H8A C8 H8B 108.2 . . ?
C9 C8 H8A 109.8 . . ?
C9 C8 H8B 109.8 . . ?
C8 C9 H9 106.6 . . ?
C8 C9 H9' 107.4 . . ?
C10 C9 C8 116.9(7) . . ?
C10 C9 H9 106.0 . . ?
C10 C9 C11 108.4(7) . . ?
C10' C9 C8 105.0(9) . . ?
C10' C9 H9' 105.0 . . ?
C10' C9 C11 120.3(9) . . ?
C11 C9 C8 111.3(5) . . ?
C11 C9 H9 107.0 . . ?
C11 C9 H9' 107.0 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C10' H10D 109.5 . . ?
C9 C10' H10E 109.5 . . ?
C9 C10' H10F 109.5 . . ?
H10D C10' H10E 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
N2 C11 C9 110.6(5) . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
N2 C12 H12 116.4 . . ?
N2 C12 C13 127.2(6) . . ?
C13 C12 H12 116.4 . . ?
C14 C13 C12 115.6(5) . . ?
C14 C13 C18 119.6(5) . . ?
C18 C13 C12 124.8(5) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(6) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 Br2 120.0(13) . . ?
C14 C15 Br2' 119.3(13) . . ?
C14 C15 C16 120.5(5) . . ?
C16 C15 Br2 119.5(13) . . ?
C16 C15 Br2' 120.1(13) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 C15 119.8(6) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 118.5 . . ?
C16 C17 C18 122.9(6) . . ?
C18 C17 H17 118.5 . . ?
O3 C18 C13 121.6(5) . . ?
O3 C18 C17 121.7(5) . . ?
C17 C18 C13 116.5(5) . . ?
C19 O4 Dy1 143.1(4) . . ?
C25 O5 Dy1 132.3(5) . . ?
O4 C19 C20 119.9(6) . . ?
O4 C19 C24 121.9(6) . . ?
C24 C19 C20 118.3(6) . . ?
C19 C20 H20 118.9 . . ?
C21 C20 C19 122.1(8) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 H21 120.1 . . ?
C20 C21 C22 119.9(9) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 Br3 117.3(8) . . ?
C21 C22 Br3' 125.3(8) . . ?
C21 C22 C23 121.8(8) . . ?
C23 C22 Br3 120.7(7) . . ?
C23 C22 Br3' 112.8(7) . . ?
C22 C23 H23 121.5 . . ?
C22 C23 C24 117.0(8) . . ?
C24 C23 H23 121.5 . . ?
C19 C24 C23 120.8(7) . . ?
C25 C24 C19 121.6(7) . . ?
C25 C24 C23 117.5(7) . . ?
O5 C25 C24 128.9(7) . . ?
O5 C25 H25 115.5 . . ?
C24 C25 H25 115.5 . . ?
Dy2 O6 Dy1 93.91(12) . 2_666 ?
C26 O6 Dy1 133.2(3) . 2_666 ?
C26 O6 Dy2 132.2(3) . . ?
C43 O7 Dy2 143.6(4) . . ?
O6 C26 C27 120.2(5) . . ?
O6 C26 C31 123.0(5) . . ?
C27 C26 C31 116.7(5) . . ?
C26 C27 H27 118.6 . . ?
C28 C27 C26 122.7(6) . . ?
C28 C27 H27 118.6 . . ?
C27 C28 H28 120.2 . . ?
C27 C28 C29 119.7(5) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 Br4 120.3(4) . . ?
C30 C29 Br4 119.5(5) . . ?
C30 C29 C28 120.2(6) . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.8(6) . . ?
C31 C30 H30 119.6 . . ?
C26 C31 C32 126.5(5) . . ?
C30 C31 C26 119.8(5) . . ?
C30 C31 C32 113.7(5) . . ?
N3 C32 C31 127.7(5) . . ?
N3 C32 H32 116.1 . . ?
C31 C32 H32 116.1 . . ?
N3 C33 H33A 109.4 . . ?
N3 C33 H33B 109.4 . . ?
N3 C33 C34 111.0(5) . . ?
H33A C33 H33B 108.0 . . ?
C34 C33 H33A 109.4 . . ?
C34 C33 H33B 109.4 . . ?
C33 C34 H34 106.6 . . ?
C33 C34 H34' 105.9 . . ?
C35 C34 C33 113.3(7) . . ?
C35 C34 H34 106.1 . . ?
C35 C34 C36 111.0(6) . . ?
C35' C34 C33 109.9(12) . . ?
C35' C34 H34' 102.3 . . ?
C35' C34 C36 118.9(11) . . ?
C36 C34 C33 112.7(5) . . ?
C36 C34 H34 106.6 . . ?
C36 C34 H34' 105.6 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C35' H35D 109.5 . . ?
C34 C35' H35E 109.5 . . ?
C34 C35' H35F 109.5 . . ?
H35D C35' H35E 109.5 . . ?
H35D C35' H35F 109.5 . . ?
H35E C35' H35F 109.5 . . ?
N4 C36 C34 112.7(5) . . ?
N4 C36 H36A 109.0 . . ?
N4 C36 H36B 109.0 . . ?
C34 C36 H36A 109.0 . . ?
C34 C36 H36B 109.0 . . ?
H36A C36 H36B 107.8 . . ?
N4 C37 H37 116.0 . . ?
N4 C37 C38 128.1(5) . . ?
C38 C37 H37 116.0 . . ?
C39 C38 C37 117.0(5) . . ?
C39 C38 C43 118.5(5) . . ?
C43 C38 C37 124.2(5) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 C38 121.1(5) . . ?
C40 C39 H39 119.5 . . ?
C39 C40 Br5 119.8(4) . . ?
C39 C40 C41 120.7(5) . . ?
C41 C40 Br5 119.5(5) . . ?
C40 C41 H41 120.4 . . ?
C42 C41 C40 119.1(6) . . ?
C42 C41 H41 120.4 . . ?
C41 C42 H42 118.8 . . ?
C41 C42 C43 122.4(5) . . ?
C43 C42 H42 118.8 . . ?
O7 C43 C38 121.5(5) . . ?
O7 C43 C42 120.4(5) . . ?
C42 C43 C38 118.1(5) . . ?
N5 C44 C45 179.1(9) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N6 C46 C47 155.8(15) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
N7 C48 C49 161(3) . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C11 H11B O5 0.99 2.59 3.286(9) 127.4 .
C12 H12 Br2 0.95 3.12 3.65(4) 116.6 2_777
C16 H16 Br1' 0.95 3.09 3.629(19) 117.9 1_665
C16 H16 Br4 0.95 2.85 3.339(6) 113.4 1_655
C17 H17 O7 0.95 2.49 3.305(7) 144.1 .
C21 H21 N6 0.95 2.68 3.519(16) 148.0 1_655
C27 H27 O4 0.95 2.27 2.991(7) 132.3 2_666
C28 H28 Br4 0.95 2.99 3.814(6) 145.7 2_566
C33 H33A O3 0.99 2.57 3.315(7) 131.8 .
C36 H36B Br5 0.99 2.97 3.947(5) 169.5 2_776
C47 H47A Br3 0.98 3.13 4.10(2) 170.9 2_667
C47 H47A Br3' 0.98 2.90 3.86(2) 170.4 2_667
C47 H47B Br2 0.98 2.91 3.45(5) 115.2 1_455
C47 H47B Br4 0.98 3.10 3.830(15) 132.9 .
C47 H47C N7 0.98 2.56 3.40(3) 144.2 2_677

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O2 C1 C2 -132.9(5) . . . . ?
Dy1 O2 C1 C6 50.2(8) . . . . ?
Dy1 O3 C18 C13 -51.8(7) . . . . ?
Dy1 O3 C18 C17 133.4(5) . . . . ?
Dy1 N1 C7 C6 8.4(8) . . . . ?
Dy1 N1 C8 C9 -88.9(5) . . . . ?
Dy1 N2 C11 C9 -84.3(6) . . . . ?
Dy1 N2 C12 C13 8.8(10) . . . . ?
Dy1 O4 C19 C20 171.2(5) . . . . ?
Dy1 O4 C19 C24 -8.9(11) . . . . ?
Dy1 O5 C25 C24 7.2(12) . . . . ?
Dy1 O6 C26 C27 11.9(8) 2_666 . . . ?
Dy1 O6 C26 C31 -166.5(4) 2_666 . . . ?
Dy2 O2 C1 C2 93.1(6) 2_666 . . . ?
Dy2 O2 C1 C6 -83.8(7) 2_666 . . . ?
Dy2 O3 C18 C13 134.1(5) . . . . ?
Dy2 O3 C18 C17 -40.7(8) . . . . ?
Dy2 N3 C32 C31 -9.7(9) . . . . ?
Dy2 N3 C33 C34 84.1(5) . . . . ?
Dy2 N4 C36 C34 80.4(5) . . . . ?
Dy2 N4 C37 C38 -7.5(9) . . . . ?
Dy2 O6 C26 C27 -155.4(4) . . . . ?
Dy2 O6 C26 C31 26.2(8) . . . . ?
Dy2 O7 C43 C38 7.1(9) . . . . ?
Dy2 O7 C43 C42 -173.5(4) . . . . ?
O2 C1 C2 C3 -171.6(6) . . . . ?
O2 C1 C6 C5 170.4(6) . . . . ?
O2 C1 C6 C7 -10.9(9) . . . . ?
N1 C8 C9 C10 -83.7(9) . . . . ?
N1 C8 C9 C10' 173.3(8) . . . . ?
N1 C8 C9 C11 41.6(7) . . . . ?
N2 C12 C13 C14 -166.0(6) . . . . ?
N2 C12 C13 C18 12.3(11) . . . . ?
N3 C33 C34 C35 -160.5(6) . . . . ?
N3 C33 C34 C35' 101.8(12) . . . . ?
N3 C33 C34 C36 -33.3(7) . . . . ?
N4 C37 C38 C39 -178.0(6) . . . . ?
N4 C37 C38 C43 8.6(10) . . . . ?
Br1 C4 C5 C6 -174.3(8) . . . . ?
Br1' C4 C5 C6 179.7(8) . . . . ?
Br2 C15 C16 C17 -179.1(17) . . . . ?
Br2' C15 C16 C17 179.1(17) . . . . ?
Br3 C22 C23 C24 176.6(6) . . . . ?
Br3' C22 C23 C24 -179.8(6) . . . . ?
Br4 C29 C30 C31 -178.7(5) . . . . ?
Br5 C40 C41 C42 178.6(5) . . . . ?
C1 C2 C3 C4 -0.9(10) . . . . ?
C1 C6 C7 N1 -18.8(9) . . . . ?
C2 C1 C6 C5 -6.6(9) . . . . ?
C2 C1 C6 C7 172.1(6) . . . . ?
C2 C3 C4 Br1 173.1(9) . . . . ?
C2 C3 C4 Br1' 179.2(8) . . . . ?
C2 C3 C4 C5 -3.0(10) . . . . ?
C3 C4 C5 C6 1.9(10) . . . . ?
C4 C5 C6 C1 3.0(9) . . . . ?
C4 C5 C6 C7 -175.7(6) . . . . ?
C5 C6 C7 N1 159.9(6) . . . . ?
C6 C1 C2 C3 5.6(9) . . . . ?
C7 N1 C8 C9 95.5(6) . . . . ?
C8 N1 C7 C6 -176.7(5) . . . . ?
C8 C9 C11 N2 43.0(7) . . . . ?
C10 C9 C11 N2 173.0(7) . . . . ?
C10' C9 C11 N2 -80.3(11) . . . . ?
C11 N2 C12 C13 -177.7(6) . . . . ?
C12 N2 C11 C9 101.7(7) . . . . ?
C12 C13 C14 C15 178.7(6) . . . . ?
C12 C13 C18 O3 9.2(10) . . . . ?
C12 C13 C18 C17 -175.7(6) . . . . ?
C13 C14 C15 Br2 178.4(17) . . . . ?
C13 C14 C15 Br2' -179.8(17) . . . . ?
C13 C14 C15 C16 -2.4(10) . . . . ?
C14 C13 C18 O3 -172.5(6) . . . . ?
C14 C13 C18 C17 2.6(9) . . . . ?
C14 C15 C16 C17 1.7(10) . . . . ?
C15 C16 C17 C18 1.3(10) . . . . ?
C16 C17 C18 O3 171.8(6) . . . . ?
C16 C17 C18 C13 -3.3(9) . . . . ?
C18 C13 C14 C15 0.2(10) . . . . ?
O4 C19 C20 C21 -178.5(7) . . . . ?
O4 C19 C24 C23 178.3(7) . . . . ?
O4 C19 C24 C25 -1.4(11) . . . . ?
C19 C20 C21 C22 0.0(13) . . . . ?
C19 C24 C25 O5 1.1(13) . . . . ?
C20 C19 C24 C23 -1.9(10) . . . . ?
C20 C19 C24 C25 178.4(7) . . . . ?
C20 C21 C22 Br3 -177.0(6) . . . . ?
C20 C21 C22 Br3' 179.7(7) . . . . ?
C20 C21 C22 C23 -1.6(13) . . . . ?
C21 C22 C23 C24 1.4(12) . . . . ?
C22 C23 C24 C19 0.4(11) . . . . ?
C22 C23 C24 C25 -179.9(7) . . . . ?
C23 C24 C25 O5 -178.6(8) . . . . ?
C24 C19 C20 C21 1.7(11) . . . . ?
O6 C26 C27 C28 -175.1(5) . . . . ?
O6 C26 C31 C30 176.8(5) . . . . ?
O6 C26 C31 C32 -1.3(9) . . . . ?
C26 C27 C28 C29 -2.9(9) . . . . ?
C26 C31 C32 N3 -6.6(10) . . . . ?
C27 C26 C31 C30 -1.6(8) . . . . ?
C27 C26 C31 C32 -179.7(5) . . . . ?
C27 C28 C29 Br4 -179.7(5) . . . . ?
C27 C28 C29 C30 0.8(9) . . . . ?
C28 C29 C30 C31 0.8(10) . . . . ?
C29 C30 C31 C26 -0.4(9) . . . . ?
C29 C30 C31 C32 177.9(6) . . . . ?
C30 C31 C32 N3 175.3(6) . . . . ?
C31 C26 C27 C28 3.3(9) . . . . ?
C32 N3 C33 C34 -104.1(6) . . . . ?
C33 N3 C32 C31 179.9(5) . . . . ?
C33 C34 C36 N4 -50.9(7) . . . . ?
C35 C34 C36 N4 77.5(7) . . . . ?
C35' C34 C36 N4 178.4(13) . . . . ?
C36 N4 C37 C38 -171.0(6) . . . . ?
C37 N4 C36 C34 -113.9(5) . . . . ?
C37 C38 C39 C40 -174.8(6) . . . . ?
C37 C38 C43 O7 -7.3(9) . . . . ?
C37 C38 C43 C42 173.3(6) . . . . ?
C38 C39 C40 Br5 -178.2(5) . . . . ?
C38 C39 C40 C41 1.6(10) . . . . ?
C39 C38 C43 O7 179.4(5) . . . . ?
C39 C38 C43 C42 -0.1(8) . . . . ?
C39 C40 C41 C42 -1.2(9) . . . . ?
C40 C41 C42 C43 0.2(9) . . . . ?
C41 C42 C43 O7 -179.0(5) . . . . ?
C41 C42 C43 C38 0.5(9) . . . . ?
C43 C38 C39 C40 -1.0(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_nys-zf-27-100k-s_sq
_database_code_depnum_ccdc_archive 'CCDC 2291881'
loop_
_audit_author_name
_audit_author_address
'Shui Yu'
;Shui Yu
China
;
_audit_update_record             
;
2023-08-30 deposited with the CCDC.	2024-02-07 downloaded from the CCDC.
;
_audit_creation_date             2022-07-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C70 H86 Br6 Cl2 Dy6 N6 O28, 2(Cl)'
_chemical_formula_sum            'C70 H86 Br6 Cl4 Dy6 N6 O28'
_chemical_formula_weight         3055.70
_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 0.0181 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'
Br Br -0.6763 1.2805 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.8746(4)
_cell_length_b                   15.0586(6)
_cell_length_c                   17.1270(6)
_cell_angle_alpha                75.517(3)
_cell_angle_beta                 88.043(3)
_cell_angle_gamma                86.203(3)
_cell_volume                     2958.24(19)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    18744
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      78.8280
_cell_measurement_theta_min      2.6280
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    23.590
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.36398
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.64a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1446
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0814
_diffrn_reflns_av_unetI/netI     0.0608
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34598
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        63.689
_diffrn_reflns_theta_max         63.689
_diffrn_reflns_theta_min         2.665
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(3)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     86.00 117.00   0.50    0.05    --  119.50  77.00 -90.00   62
  2  ω     98.00 154.00   0.50    0.05    --  119.50  61.00-150.00  112
  3  ω    137.00 172.00   0.50    0.05    --  119.50  77.00 -90.00   70
  4  ω    136.00 172.00   0.50    0.05    --  119.50  61.00 -30.00   72
  5  ω    146.00 171.00   0.50    0.05    --  119.50  61.00 -60.00   50
  6  ω     96.00 129.00   0.50    0.05    --  119.50  61.00 -30.00   66
  7  ω    114.00 139.00   0.50    0.05    --  119.50  61.00 -90.00   50
  8  ω    141.00 166.00   0.50    0.05    --  119.50  77.00  90.00   50
  9  ω     86.00 132.00   0.50    0.05    --  119.50  77.00  90.00   92
 10  ω     91.00 167.00   0.50    0.05    --  119.50  61.00 120.00  152
 11  ω     91.00 165.00   0.50    0.05    --  119.50  45.00  90.00  148
 12  ω     40.00 104.00   0.50    0.05    --  119.50   0.00  30.00  128
 13  ω     91.00 166.00   0.50    0.05    --  119.50  45.00  60.00  150
 14  ω    132.00 175.00   0.50    0.05    --  119.50   0.00  30.00   86
 15  ω     93.00 175.00   0.50    0.05    --  119.50  45.00-120.00  164
 16  ω     98.00 170.00   0.50    0.05    --  119.50  45.00-180.00  144
 17  ω     59.00  84.00   0.50    0.05    --  119.50 -94.00  30.00   50
 18  ω     48.00  77.00   0.50    0.05    --  119.50-133.00 -53.00   58
 19  ω     83.00 118.00   0.50    0.05    --  119.50-133.00 -53.00   70
 20  ω     41.00 107.00   0.50    0.05    --  119.50-111.00 -60.00  132
 21  ω     41.00 107.00   0.50    0.05    --  119.50-111.00 -30.00  132
 22  ω     40.00  98.00   0.50    0.05    --   39.57-136.00 127.00  116
 23  ω     49.00 120.00   0.50    0.05    --  119.50-136.00 127.00  142
 24  ω     74.00 107.00   0.50    0.05    --  119.50-111.00  30.00   66
 25  ω     42.00  68.00   0.50    0.05    --  119.50-111.00  30.00   52
 26  ω     41.00 108.00   0.50    0.05    --  119.50-111.00  60.00  134
 27  ω     50.00 107.00   0.50    0.05    --  119.50-111.00 120.00  114
 28  ω     42.00 101.00   0.50    0.05    --  119.50-111.00   0.00  118
 29  ω     40.00 108.00   0.50    0.05    --  119.50-111.00-120.00  136
 30  ω     57.00 101.00   0.50    0.05    --  119.50-111.00 -90.00   88
 31  ω     80.00 106.00   0.50    0.05    --  119.50-111.00-180.00   52
 32  ω     40.00  73.00   0.50    0.05    --  119.50-111.00-180.00   66
 33  ω     44.00 108.00   0.50    0.05    --  119.50-111.00-150.00  128
 34  ω     22.00  78.00   0.50    0.05    --   39.57-133.00 -53.00  112
 35  ω     43.00 106.00   0.50    0.05    --  119.50-111.00 150.00  126
 36  ω     62.00  98.00   0.50    0.05    --  119.50 -77.00 120.00   72
 37  ω     58.00  84.00   0.50    0.05    --  119.50 -77.00  30.00   52
 38  ω     46.00  91.00   0.50    0.05    --  119.50 -77.00   0.00   90
 39  ω     51.00  76.00   0.50    0.05    --  119.50 -77.00 -60.00   50
 40  ω     87.00 112.00   0.50    0.05    --  119.50 111.00 -30.00   50
 41  ω     91.00 118.00   0.50    0.05    --  119.50 133.00  14.00   54
 42  ω     87.00 165.00   0.50    0.05    --  119.50 111.00   0.00  156
 43  ω    133.00 160.00   0.50    0.05    --  119.50 111.00 -30.00   54
 44  ω    119.00 145.00   0.50    0.05    --  119.50 136.00-167.00   52
 45  ω     70.00  97.00   0.50    0.05    --   39.57 136.00-167.00   54
 46  ω     88.00 152.00   0.50    0.05    --  119.50 111.00 120.00  128
 47  ω    -39.00  35.00   0.50    0.05    --   39.57 -37.00 120.00  148
 48  ω    -41.00  36.00   0.50    0.05    --   39.57 -37.00  60.00  154
 49  ω    -38.00  29.00   0.50    0.05    --   39.57 -37.00   0.00  134
 50  ω    -12.00  23.00   0.50    0.05    --   39.57 -19.00   0.00   70
 51  ω    -67.00 -42.00   0.50    0.05    --  -39.57 136.00-167.00   50
 52  ω   -119.00 -64.00   0.50    0.05    --  -62.00 136.00-167.00  110
 53  ω   -103.00 -51.00   0.50    0.05    --  -62.00 133.00  14.00  104
 54  ω    -89.00 -64.00   0.50    0.05    --  -39.57 133.00  14.00   50
 55  ω    -73.00  -6.00   0.50    0.05    --  -62.00  61.00 -30.00  134
 56  ω    -53.00  15.00   0.50    0.05    --  -62.00  45.00-150.00  136
 57  ω    -13.00  12.00   0.50    0.05    --  -62.00  15.00-150.00   50
 58  ω    -38.00  16.00   0.50    0.05    --  -62.00  30.00 -30.00  108
 59  ω    -23.00  20.00   0.50    0.05    --  -62.00  15.00  60.00   86
 60  ω   -142.00-117.00   0.50    0.05    --  -62.00-111.00 -30.00   50
 61  ω   -130.00-105.00   0.50    0.05    --  -62.00-136.00 127.00   50
 62  ω   -133.00-107.00   0.50    0.05    --  -62.00-111.00  30.00   52
 63  ω   -140.00-100.00   0.50    0.05    --  -62.00-111.00   0.00   80
 64  ω   -108.00 -79.00   0.50    0.05    --  -62.00-133.00 -53.00   58
 65  ω   -142.00 -92.00   0.50    0.05    --  -62.00-111.00-150.00  100
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0440601000
_diffrn_orient_matrix_UB_12      0.0133357000
_diffrn_orient_matrix_UB_13      -0.0875729000
_diffrn_orient_matrix_UB_21      0.1179003000
_diffrn_orient_matrix_UB_22      -0.0389879000
_diffrn_orient_matrix_UB_23      0.0310489000
_diffrn_orient_matrix_UB_31      -0.0327030000
_diffrn_orient_matrix_UB_32      -0.0975009000
_diffrn_orient_matrix_UB_33      0.0006758000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8529
_reflns_number_total             9738
_reflns_odcompleteness_completeness 99.60
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_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 1.171.41.64a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.64a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.64a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         3.395
_refine_diff_density_min         -1.651
_refine_diff_density_rms         0.241
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         9738
_refine_ls_number_restraints     332
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0670
_refine_ls_restrained_S_all      1.051
_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)+(0.1336P)²+5.4414P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1799
_refine_ls_wR_factor_ref         0.1844
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H1 of O1, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H5A of O5, H6 of O6, H9A of O9, H8 of O8, H10A of O10,
  H4 of O4, H13 of O13
2. Restrained distances
 H10A-H10A_$1
 2.1 with sigma of 0.01
 H6-H12A
 2.1 with sigma of 0.01
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 within 2A
4. Others
 Sof(Br2A)=1-FVAR(1)
 Sof(Br2)=FVAR(1)
 Fixed Sof: O121(0.5) O122(0.5) H25A(0.5) H25B(0.5) H25C(0.5) H25D(0.5)
5.a Riding coordinates:
 O1(H1)
5.b Rotating group:
 O6(H6)
5.c Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C12(H12A,H12B), C13(H13A,H13B),
 C14(H14A,H14B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B), C25(H25C,H25D),
  C34(H34A,H34B)
5.d Aromatic/amide H refined with riding coordinates:
 C5(H5), C7(H7), C9(H9), C10(H10), C16(H16), C18(H18), C20(H20), C21(H21),
 C27(H27), C29(H29), C31(H31), C32(H32)
5.e Idealised Me refined as rotating group:
 C35(H35A,H35B,H35C)
5.f Idealised tetrahedral OH refined as rotating group:
 O4(H4), O5(H5A), O8(H8), O9(H9A), O10(H10A), O13(H13)
;
_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 0.55554(4) 0.43818(3) 0.42031(3) 0.02158(16) Uani 1 1 d . . . . .
Dy2 Dy 0.44553(4) 0.29879(3) 0.60669(3) 0.02235(16) Uani 1 1 d . . . . .
Dy3 Dy 0.48623(4) 0.20734(3) 0.43813(3) 0.02478(17) Uani 1 1 d . . . . .
O1 O 0.4043(5) 0.3512(4) 0.4662(3) 0.0232(12) Uani 1 1 d . . . . .
H1 H 0.326263 0.374855 0.448513 0.028 Uiso 1 1 d R U . . .
O2 O 0.5914(4) 0.2861(3) 0.5116(3) 0.0215(11) Uani 1 1 d . U . . .
C1 C 0.7016(7) 0.2699(5) 0.5456(5) 0.0242(16) Uani 1 1 d . U . . .
H1A H 0.751448 0.236521 0.513534 0.029 Uiso 1 1 calc R U . . .
H1B H 0.696798 0.230898 0.601360 0.029 Uiso 1 1 calc R U . . .
O3 O 0.5662(5) 0.4412(4) 0.5584(3) 0.0242(12) Uani 1 1 d . U . . .
C2 C 0.6773(7) 0.4203(5) 0.5908(5) 0.0223(15) Uani 1 1 d . U . . .
H2A H 0.671088 0.387555 0.648430 0.027 Uiso 1 1 calc R U . . .
H2B H 0.713595 0.478464 0.587516 0.027 Uiso 1 1 calc R U . . .
O4 O 0.9381(5) 0.2752(4) 0.5613(4) 0.0349(14) Uani 1 1 d . U . . .
H4 H 0.983111 0.303319 0.526306 0.052 Uiso 1 1 calc R U . . .
C3 C 0.8651(7) 0.3403(6) 0.5902(5) 0.0289(18) Uani 1 1 d . U . . .
H3A H 0.903804 0.398108 0.583016 0.035 Uiso 1 1 calc R U . . .
H3B H 0.850392 0.315827 0.648663 0.035 Uiso 1 1 calc R U . . .
C4 C 0.7525(7) 0.3611(5) 0.5465(5) 0.0245(15) Uani 1 1 d . U . . .
N1 N 0.7539(6) 0.4160(5) 0.4616(4) 0.0252(14) Uani 1 1 d . U . . .
C5 C 0.8424(7) 0.4566(5) 0.4310(5) 0.0266(16) Uani 1 1 d . U . . .
H5 H 0.910203 0.443999 0.460713 0.032 Uiso 1 1 calc R U . . .
C6 C 0.8422(8) 0.5220(6) 0.3516(5) 0.0286(16) Uani 1 1 d . U . . .
C7 C 0.9434(8) 0.5323(6) 0.3071(5) 0.0305(17) Uani 1 1 d . U . . .
H7 H 1.010893 0.499539 0.328946 0.037 Uiso 1 1 calc R U . . .
C8 C 0.9437(8) 0.5912(7) 0.2305(6) 0.0359(19) Uani 1 1 d . U . . .
Br1 Br 1.08244(10) 0.60129(11) 0.17005(7) 0.0670(4) Uani 1 1 d . U . . .
Br2 Br 0.6930(3) 0.06845(15) 1.03932(10) 0.0498(8) Uani 0.890(10) 1 d . U P A 1
Br2A Br 0.632(3) 0.0972(14) 1.0590(12) 0.068(7) Uani 0.110(10) 1 d . U P A 2
Br3 Br 0.8222(2) 0.3614(2) 0.02885(12) 0.1441(12) Uani 1 1 d . U . . .
C9 C 0.8480(9) 0.6417(7) 0.1985(6) 0.038(2) Uani 1 1 d . U . . .
H9 H 0.850112 0.681541 0.145885 0.046 Uiso 1 1 calc R U . . .
C10 C 0.7477(8) 0.6339(6) 0.2438(5) 0.0284(17) Uani 1 1 d . U . . .
H10 H 0.681537 0.669132 0.222256 0.034 Uiso 1 1 calc R U . . .
C11 C 0.7441(8) 0.5748(5) 0.3206(5) 0.0273(16) Uani 1 1 d . U . . .
O5 O 0.6467(5) 0.5707(4) 0.3647(4) 0.0265(12) Uani 1 1 d . U . . .
H5A H 0.597740 0.547767 0.342705 0.040 Uiso 1 1 calc R U . . .
O6 O 0.4331(5) 0.1623(4) 0.5669(3) 0.0292(13) Uani 1 1 d . U . . .
H6 H 0.490803 0.153112 0.610074 0.044 Uiso 1 1 d DR U . . .
C12 C 0.3566(8) 0.0989(6) 0.6051(5) 0.0292(17) Uani 1 1 d . U . . .
H12A H 0.396206 0.037367 0.620984 0.035 Uiso 1 1 calc DR U . . .
H12B H 0.297351 0.096364 0.566538 0.035 Uiso 1 1 calc R U . . .
O7 O 0.2476(5) 0.2751(4) 0.6067(4) 0.0297(13) Uani 1 1 d . U . . .
C13 C 0.2050(8) 0.1937(6) 0.6582(5) 0.0316(18) Uani 1 1 d . U . . .
H13A H 0.146505 0.170436 0.629940 0.038 Uiso 1 1 calc R U . . .
H13B H 0.170013 0.207833 0.707398 0.038 Uiso 1 1 calc R U . . .
O8 O 0.2007(7) 0.0481(6) 0.8054(5) 0.058(2) Uani 1 1 d . U . . .
H8 H 0.147955 0.012342 0.818105 0.086 Uiso 1 1 calc R U . . .
C14 C 0.2566(9) 0.0335(7) 0.7358(6) 0.041(2) Uani 1 1 d . U . . .
H14A H 0.204280 0.007155 0.705067 0.049 Uiso 1 1 calc R U . . .
H14B H 0.321238 -0.011721 0.751801 0.049 Uiso 1 1 calc R U . . .
C15 C 0.3000(8) 0.1224(6) 0.6809(5) 0.0323(17) Uani 1 1 d . U . . .
N2 N 0.3890(6) 0.1665(5) 0.7158(4) 0.0307(15) Uani 1 1 d . U . . .
C16 C 0.4300(8) 0.1274(6) 0.7858(5) 0.0308(18) Uani 1 1 d . U . . .
H16 H 0.400798 0.070873 0.814339 0.037 Uiso 1 1 calc R U . . .
C17 C 0.5180(8) 0.1639(6) 0.8241(6) 0.0351(18) Uani 1 1 d . U . . .
C18 C 0.5552(9) 0.1123(7) 0.8995(6) 0.042(2) Uani 1 1 d . U . . .
H18 H 0.521230 0.056538 0.924326 0.051 Uiso 1 1 calc R U . . .
C19 C 0.6382(10) 0.1401(8) 0.9373(6) 0.050(2) Uani 1 1 d . U . . .
C20 C 0.6876(10) 0.2225(7) 0.9038(6) 0.047(2) Uani 1 1 d . U . . .
H20 H 0.744661 0.243071 0.931438 0.056 Uiso 1 1 calc R U . . .
C21 C 0.6516(9) 0.2736(7) 0.8292(6) 0.044(2) Uani 1 1 d . U . . .
H21 H 0.687634 0.328666 0.805292 0.052 Uiso 1 1 calc R U . . .
C22 C 0.5669(8) 0.2493(6) 0.7879(6) 0.0351(18) Uani 1 1 d . U . . .
O9 O 0.5356(6) 0.3014(4) 0.7186(4) 0.0349(14) Uani 1 1 d . U . . .
H9A H 0.470476 0.325087 0.723222 0.052 Uiso 1 1 calc R U . . .
O10 O 0.4187(6) 0.0565(4) 0.4379(4) 0.0354(14) Uani 1 1 d . U . . .
H10A H 0.487577 0.039578 0.440762 0.053 Uiso 1 1 calc DR U . . .
C23 C 0.3735(8) 0.0411(6) 0.3659(6) 0.0356(19) Uani 1 1 d . U . . .
H23A H 0.303085 0.008317 0.379049 0.043 Uiso 1 1 calc R U . . .
H23B H 0.428478 0.002833 0.341758 0.043 Uiso 1 1 calc R U . . .
O11 O 0.2886(5) 0.2213(5) 0.4036(4) 0.0369(14) Uani 1 1 d . U . . .
C24 C 0.2512(8) 0.1893(7) 0.3365(6) 0.039(2) Uani 1 1 d . U . . .
H24A H 0.225398 0.242429 0.292694 0.047 Uiso 1 1 calc R U . . .
H24B H 0.187009 0.149783 0.353943 0.047 Uiso 1 1 calc R U . . .
O121 O 0.3843(12) 0.0656(9) 0.1936(9) 0.044(3) Uani 0.5 1 d . U P B 1
O122 O 0.2763(16) 0.1837(14) 0.1703(11) 0.070(5) Uani 0.5 1 d . U P B 2
C25 C 0.3106(10) 0.1166(8) 0.2266(7) 0.051(2) Uani 1 1 d . U . . .
H25A H 0.238670 0.085620 0.237091 0.061 Uiso 0.5 1 calc R U P B 1
H25B H 0.295487 0.176408 0.187247 0.061 Uiso 0.5 1 calc R U P B 1
H25C H 0.374503 0.084016 0.204762 0.061 Uiso 0.5 1 calc R U P B 2
H25D H 0.249093 0.073756 0.240269 0.061 Uiso 0.5 1 calc R U P B 2
C26 C 0.3491(9) 0.1347(7) 0.3058(6) 0.0384(18) Uani 1 1 d . U . . .
N3 N 0.4498(7) 0.1880(5) 0.3012(5) 0.0341(16) Uani 1 1 d . U . . .
C27 C 0.5014(9) 0.2165(7) 0.2347(6) 0.040(2) Uani 1 1 d . U . . .
H27 H 0.475582 0.198340 0.189407 0.048 Uiso 1 1 calc R U . . .
C28 C 0.5972(10) 0.2749(7) 0.2214(6) 0.0418(19) Uani 1 1 d . U . . .
C29 C 0.6560(12) 0.2856(9) 0.1486(7) 0.061(3) Uani 1 1 d . U . . .
H29 H 0.633981 0.254819 0.109905 0.073 Uiso 1 1 calc R U . . .
C30 C 0.7488(13) 0.3423(10) 0.1318(7) 0.068(3) Uani 1 1 d . U . . .
C31 C 0.7767(11) 0.3907(9) 0.1843(7) 0.058(3) Uani 1 1 d . U . . .
H31 H 0.835100 0.432327 0.170728 0.069 Uiso 1 1 calc R U . . .
C32 C 0.7208(9) 0.3797(7) 0.2569(6) 0.043(2) Uani 1 1 d . U . . .
H32 H 0.745179 0.411056 0.294455 0.051 Uiso 1 1 calc R U . . .
C33 C 0.6290(9) 0.3240(7) 0.2782(6) 0.0355(18) Uani 1 1 d . U . . .
O13 O 0.5732(5) 0.3213(4) 0.3471(3) 0.0283(12) Uani 1 1 d . U . . .
H13 H 0.503593 0.321514 0.339689 0.042 Uiso 1 1 calc R U . . .
O14 O 0.4775(6) 0.5057(4) 0.2895(4) 0.0371(15) Uani 1 1 d . U . . .
C34 C 0.3992(16) 0.4734(11) 0.2415(10) 0.084(4) Uani 1 1 d . U . . .
H34A H 0.323370 0.503040 0.246774 0.100 Uiso 1 1 calc R U . . .
H34B H 0.394136 0.406230 0.262723 0.100 Uiso 1 1 calc R U . . .
C35 C 0.434(2) 0.4935(14) 0.1529(10) 0.114(6) Uani 1 1 d . U . . .
H35A H 0.413110 0.557938 0.126887 0.171 Uiso 1 1 calc R U . . .
H35B H 0.395048 0.453616 0.126701 0.171 Uiso 1 1 calc R U . . .
H35C H 0.515635 0.481952 0.148059 0.171 Uiso 1 1 calc R U . . .
Cl1 Cl 0.68279(18) 0.10717(13) 0.43941(15) 0.0356(5) Uani 1 1 d . . . . .
Cl2 Cl 1.13207(17) 0.37045(14) 0.44958(13) 0.0332(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.8248(9) 2_666 ?
Dy1 Dy2 3.6095(6) . ?
Dy1 Dy2 3.8705(6) 2_666 ?
Dy1 Dy3 3.5615(6) . ?
Dy1 O1 2.293(5) . ?
Dy1 O2 2.448(5) . ?
Dy1 O3 2.385(6) . ?
Dy1 O3 2.338(6) 2_666 ?
Dy1 N1 2.460(7) . ?
Dy1 O5 2.308(5) . ?
Dy1 O13 2.397(6) . ?
Dy1 O14 2.405(6) . ?
Dy2 Dy3 3.5026(7) . ?
Dy2 O1 2.394(6) . ?
Dy2 O2 2.368(5) . ?
Dy2 O3 2.603(5) . ?
Dy2 O5 2.338(6) 2_666 ?
Dy2 O6 2.336(6) . ?
Dy2 H6 2.2106 . ?
Dy2 O7 2.400(6) . ?
Dy2 N2 2.479(7) . ?
Dy2 O9 2.237(6) . ?
Dy3 O1 2.465(5) . ?
Dy3 O2 2.366(5) . ?
Dy3 O6 2.222(6) . ?
Dy3 O10 2.459(6) . ?
Dy3 O11 2.423(6) . ?
Dy3 N3 2.490(8) . ?
Dy3 O13 2.287(6) . ?
Dy3 Cl1 2.692(2) . ?
O1 H1 0.9999 . ?
O2 C1 1.432(10) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C4 1.541(10) . ?
O3 C2 1.433(10) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C4 1.534(12) . ?
O4 H4 0.8400 . ?
O4 C3 1.434(11) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.531(12) . ?
C4 N1 1.483(11) . ?
N1 C5 1.280(11) . ?
C5 H5 0.9500 . ?
C5 C6 1.467(12) . ?
C6 C7 1.397(13) . ?
C6 C11 1.406(13) . ?
C7 H7 0.9500 . ?
C7 C8 1.388(13) . ?
C8 Br1 1.910(9) . ?
C8 C9 1.374(15) . ?
Br2 C19 1.919(10) . ?
Br2A C19 2.02(2) . ?
Br3 C30 1.905(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.394(13) . ?
C10 H10 0.9500 . ?
C10 C11 1.392(12) . ?
C11 O5 1.356(11) . ?
O5 H5A 0.8400 . ?
O6 H6 1.0032 . ?
O6 C12 1.387(10) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C15 1.550(13) . ?
O7 C13 1.431(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C15 1.496(14) . ?
O8 H8 0.8400 . ?
O8 C14 1.403(14) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.538(11) . ?
C15 N2 1.501(11) . ?
N2 C16 1.292(12) . ?
C16 H16 0.9500 . ?
C16 C17 1.459(12) . ?
C17 C18 1.400(13) . ?
C17 C22 1.432(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.342(15) . ?
C19 C20 1.389(14) . ?
C20 H20 0.9500 . ?
C20 C21 1.382(14) . ?
C21 H21 0.9500 . ?
C21 C22 1.369(14) . ?
C22 O9 1.300(11) . ?
O9 H9A 0.8400 . ?
O10 H10A 0.8400 . ?
O10 C23 1.438(11) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C26 1.540(13) . ?
O11 C24 1.445(11) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C26 1.534(14) . ?
O121 C25 1.331(19) . ?
O122 C25 1.27(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 H25C 0.9900 . ?
C25 H25D 0.9900 . ?
C25 C26 1.538(14) . ?
C26 N3 1.473(12) . ?
N3 C27 1.265(13) . ?
C27 H27 0.9500 . ?
C27 C28 1.461(14) . ?
C28 C29 1.387(15) . ?
C28 C33 1.435(13) . ?
C29 H29 0.9500 . ?
C29 C30 1.417(16) . ?
C30 C31 1.351(16) . ?
C31 H31 0.9500 . ?
C31 C32 1.367(14) . ?
C32 H32 0.9500 . ?
C32 C33 1.402(13) . ?
C33 O13 1.326(11) . ?
O13 H13 0.8400 . ?
O14 C34 1.446(17) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.52(2) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?

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
Dy1 Dy1 Dy2 55.941(13) 2_666 2_666 ?
Dy2 Dy1 Dy1 62.671(14) . 2_666 ?
Dy2 Dy1 Dy2 118.612(14) . 2_666 ?
Dy3 Dy1 Dy1 119.332(19) . 2_666 ?
Dy3 Dy1 Dy2 58.472(13) . . ?
Dy3 Dy1 Dy2 166.340(18) . 2_666 ?
O1 Dy1 Dy1 81.91(14) . 2_666 ?
O1 Dy1 Dy2 124.62(13) . 2_666 ?
O1 Dy1 Dy2 40.67(14) . . ?
O1 Dy1 Dy3 43.41(13) . . ?
O1 Dy1 O2 61.79(18) . . ?
O1 Dy1 O3 83.20(19) . . ?
O1 Dy1 O3 83.71(19) . 2_666 ?
O1 Dy1 N1 130.7(2) . . ?
O1 Dy1 O5 156.33(19) . . ?
O1 Dy1 O13 76.5(2) . . ?
O1 Dy1 O14 94.4(2) . . ?
O2 Dy1 Dy1 97.18(13) . 2_666 ?
O2 Dy1 Dy2 146.24(12) . 2_666 ?
O2 Dy1 Dy2 40.62(13) . . ?
O2 Dy1 Dy3 41.41(12) . . ?
O2 Dy1 N1 69.5(2) . . ?
O3 Dy1 Dy1 36.34(14) 2_666 2_666 ?
O3 Dy1 Dy1 35.52(13) . 2_666 ?
O3 Dy1 Dy2 87.50(14) 2_666 . ?
O3 Dy1 Dy2 46.09(13) . . ?
O3 Dy1 Dy2 80.94(12) . 2_666 ?
O3 Dy1 Dy2 40.94(13) 2_666 2_666 ?
O3 Dy1 Dy3 126.74(13) 2_666 . ?
O3 Dy1 Dy3 101.48(12) . . ?
O3 Dy1 O2 127.73(18) 2_666 . ?
O3 Dy1 O2 66.44(18) . . ?
O3 Dy1 O3 71.9(2) 2_666 . ?
O3 Dy1 N1 70.5(2) . . ?
O3 Dy1 N1 123.2(2) 2_666 . ?
O3 Dy1 O13 142.2(2) 2_666 . ?
O3 Dy1 O13 135.48(19) . . ?
O3 Dy1 O14 148.1(2) . . ?
O3 Dy1 O14 76.3(2) 2_666 . ?
N1 Dy1 Dy1 97.27(16) . 2_666 ?
N1 Dy1 Dy2 95.38(16) . . ?
N1 Dy1 Dy2 92.16(16) . 2_666 ?
N1 Dy1 Dy3 101.34(16) . . ?
O5 Dy1 Dy1 85.40(15) . 2_666 ?
O5 Dy1 Dy2 143.70(15) . . ?
O5 Dy1 Dy2 33.82(15) . 2_666 ?
O5 Dy1 Dy3 155.12(15) . . ?
O5 Dy1 O2 140.11(19) . . ?
O5 Dy1 O3 74.3(2) . 2_666 ?
O5 Dy1 O3 97.86(19) . . ?
O5 Dy1 N1 70.6(2) . . ?
O5 Dy1 O13 116.3(2) . . ?
O5 Dy1 O14 72.2(2) . . ?
O13 Dy1 Dy1 158.03(14) . 2_666 ?
O13 Dy1 Dy2 97.48(13) . . ?
O13 Dy1 Dy2 142.66(13) . 2_666 ?
O13 Dy1 Dy3 39.36(13) . . ?
O13 Dy1 O2 69.04(18) . . ?
O13 Dy1 N1 93.8(2) . . ?
O13 Dy1 O14 73.5(2) . . ?
O14 Dy1 Dy1 112.62(15) . 2_666 ?
O14 Dy1 Dy2 134.14(17) . . ?
O14 Dy1 Dy2 74.37(15) . 2_666 ?
O14 Dy1 Dy3 98.18(15) . . ?
O14 Dy1 O2 139.17(19) . . ?
O14 Dy1 N1 129.5(2) . . ?
Dy1 Dy2 Dy1 61.388(14) . 2_666 ?
Dy1 Dy2 H6 108.1 . . ?
Dy1 Dy2 H6 165.3 2_666 . ?
Dy3 Dy2 Dy1 60.079(13) . . ?
Dy3 Dy2 Dy1 119.641(15) . 2_666 ?
Dy3 Dy2 H6 54.4 . . ?
O1 Dy2 Dy1 79.76(12) . 2_666 ?
O1 Dy2 Dy1 38.62(13) . . ?
O1 Dy2 Dy3 44.69(13) . . ?
O1 Dy2 O3 76.75(17) . . ?
O1 Dy2 H6 98.1 . . ?
O1 Dy2 O7 78.32(19) . . ?
O1 Dy2 N2 134.0(2) . . ?
O2 Dy2 Dy1 97.45(12) . 2_666 ?
O2 Dy2 Dy1 42.31(13) . . ?
O2 Dy2 Dy3 42.26(13) . . ?
O2 Dy2 O1 61.60(19) . . ?
O2 Dy2 O3 64.19(17) . . ?
O2 Dy2 H6 69.2 . . ?
O2 Dy2 O7 131.1(2) . . ?
O2 Dy2 N2 122.8(2) . . ?
O3 Dy2 Dy1 41.30(12) . . ?
O3 Dy2 Dy1 36.06(13) . 2_666 ?
O3 Dy2 Dy3 98.55(13) . . ?
O3 Dy2 H6 129.3 . . ?
O5 Dy2 Dy1 90.16(14) 2_666 . ?
O5 Dy2 Dy1 33.33(14) 2_666 2_666 ?
O5 Dy2 Dy3 136.72(14) 2_666 . ?
O5 Dy2 O1 92.24(19) 2_666 . ?
O5 Dy2 O2 130.11(19) 2_666 . ?
O5 Dy2 O3 68.97(19) 2_666 . ?
O5 Dy2 H6 160.7 2_666 . ?
O5 Dy2 O7 74.4(2) 2_666 . ?
O5 Dy2 N2 106.2(2) 2_666 . ?
O6 Dy2 Dy1 98.61(14) . . ?
O6 Dy2 Dy1 156.55(14) . 2_666 ?
O6 Dy2 Dy3 38.60(14) . . ?
O6 Dy2 O1 76.82(19) . . ?
O6 Dy2 O2 70.47(19) . . ?
O6 Dy2 O3 134.24(19) . . ?
O6 Dy2 O5 148.3(2) . 2_666 ?
O6 Dy2 H6 25.3 . . ?
O6 Dy2 O7 74.3(2) . . ?
O6 Dy2 N2 65.3(2) . . ?
O7 Dy2 Dy1 101.92(14) . 2_666 ?
O7 Dy2 Dy1 114.82(14) . . ?
O7 Dy2 Dy3 89.70(15) . . ?
O7 Dy2 O3 134.24(18) . . ?
O7 Dy2 H6 91.8 . . ?
O7 Dy2 N2 67.3(2) . . ?
N2 Dy2 Dy1 163.18(18) . . ?
N2 Dy2 Dy1 135.38(18) . 2_666 ?
N2 Dy2 Dy3 103.93(18) . . ?
N2 Dy2 O3 149.2(2) . . ?
N2 Dy2 H6 55.3 . . ?
O9 Dy2 Dy1 80.60(17) . 2_666 ?
O9 Dy2 Dy1 116.01(15) . . ?
O9 Dy2 Dy3 139.18(19) . . ?
O9 Dy2 O1 154.04(19) . . ?
O9 Dy2 O2 104.6(2) . . ?
O9 Dy2 O3 77.37(19) . . ?
O9 Dy2 O5 80.4(2) . 2_666 ?
O9 Dy2 O6 121.3(2) . . ?
O9 Dy2 H6 96.6 . . ?
O9 Dy2 O7 122.5(2) . . ?
O9 Dy2 N2 71.8(2) . . ?
Dy2 Dy3 Dy1 61.449(13) . . ?
O1 Dy3 Dy1 39.73(12) . . ?
O1 Dy3 Dy2 43.08(13) . . ?
O1 Dy3 N3 115.2(2) . . ?
O1 Dy3 Cl1 141.97(13) . . ?
O2 Dy3 Dy1 43.19(13) . . ?
O2 Dy3 Dy2 42.30(13) . . ?
O2 Dy3 O1 60.58(18) . . ?
O2 Dy3 O10 143.9(2) . . ?
O2 Dy3 O11 131.9(2) . . ?
O2 Dy3 N3 144.6(2) . . ?
O2 Dy3 Cl1 82.39(14) . . ?
O6 Dy3 Dy1 102.36(15) . . ?
O6 Dy3 Dy2 40.99(15) . . ?
O6 Dy3 O1 77.5(2) . . ?
O6 Dy3 O2 72.45(19) . . ?
O6 Dy3 O10 81.0(2) . . ?
O6 Dy3 O11 88.0(2) . . ?
O6 Dy3 N3 143.0(2) . . ?
O6 Dy3 O13 142.8(2) . . ?
O6 Dy3 Cl1 100.65(17) . . ?
O10 Dy3 Dy1 172.52(15) . . ?
O10 Dy3 Dy2 121.27(16) . . ?
O10 Dy3 O1 136.5(2) . . ?
O10 Dy3 N3 66.0(2) . . ?
O10 Dy3 Cl1 78.93(16) . . ?
O11 Dy3 Dy1 103.91(16) . . ?
O11 Dy3 Dy2 95.26(16) . . ?
O11 Dy3 O1 72.6(2) . . ?
O11 Dy3 O10 69.3(2) . . ?
O11 Dy3 N3 65.6(2) . . ?
O11 Dy3 Cl1 145.36(16) . . ?
N3 Dy3 Dy1 108.72(17) . . ?
N3 Dy3 Dy2 156.78(18) . . ?
N3 Dy3 Cl1 89.37(19) . . ?
O13 Dy3 Dy1 41.68(15) . . ?
O13 Dy3 Dy2 102.74(15) . . ?
O13 Dy3 O1 75.3(2) . . ?
O13 Dy3 O2 72.33(19) . . ?
O13 Dy3 O10 135.9(2) . . ?
O13 Dy3 O11 107.1(2) . . ?
O13 Dy3 N3 72.8(2) . . ?
O13 Dy3 Cl1 86.06(16) . . ?
Cl1 Dy3 Dy1 106.76(4) . . ?
Cl1 Dy3 Dy2 113.33(5) . . ?
Dy1 O1 Dy2 100.7(2) . . ?
Dy1 O1 Dy3 96.9(2) . . ?
Dy1 O1 H1 120.4 . . ?
Dy2 O1 Dy3 92.23(18) . . ?
Dy2 O1 H1 120.4 . . ?
Dy3 O1 H1 120.4 . . ?
Dy2 O2 Dy1 97.07(19) . . ?
Dy3 O2 Dy1 95.40(19) . . ?
Dy3 O2 Dy2 95.44(19) . . ?
C1 O2 Dy1 114.8(4) . . ?
C1 O2 Dy2 113.5(5) . . ?
C1 O2 Dy3 133.6(4) . . ?
O2 C1 H1A 109.5 . . ?
O2 C1 H1B 109.5 . . ?
O2 C1 C4 110.8(6) . . ?
H1A C1 H1B 108.1 . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
Dy1 O3 Dy1 108.1(2) 2_666 . ?
Dy1 O3 Dy2 92.61(18) . . ?
Dy1 O3 Dy2 103.0(2) 2_666 . ?
C2 O3 Dy1 114.1(5) . . ?
C2 O3 Dy1 124.0(4) . 2_666 ?
C2 O3 Dy2 109.8(4) . . ?
O3 C2 H2A 109.0 . . ?
O3 C2 H2B 109.0 . . ?
O3 C2 C4 113.1(6) . . ?
H2A C2 H2B 107.8 . . ?
C4 C2 H2A 109.0 . . ?
C4 C2 H2B 109.0 . . ?
C3 O4 H4 109.5 . . ?
O4 C3 H3A 109.1 . . ?
O4 C3 H3B 109.1 . . ?
O4 C3 C4 112.6(7) . . ?
H3A C3 H3B 107.8 . . ?
C4 C3 H3A 109.1 . . ?
C4 C3 H3B 109.1 . . ?
C2 C4 C1 113.2(7) . . ?
C3 C4 C1 109.1(7) . . ?
C3 C4 C2 107.1(7) . . ?
N1 C4 C1 106.1(6) . . ?
N1 C4 C2 104.0(6) . . ?
N1 C4 C3 117.5(7) . . ?
C4 N1 Dy1 105.7(5) . . ?
C5 N1 Dy1 132.0(6) . . ?
C5 N1 C4 120.3(7) . . ?
N1 C5 H5 119.0 . . ?
N1 C5 C6 122.0(8) . . ?
C6 C5 H5 119.0 . . ?
C7 C6 C5 118.2(8) . . ?
C7 C6 C11 120.1(8) . . ?
C11 C6 C5 121.7(8) . . ?
C6 C7 H7 120.5 . . ?
C8 C7 C6 118.9(9) . . ?
C8 C7 H7 120.5 . . ?
C7 C8 Br1 117.9(8) . . ?
C9 C8 C7 121.7(8) . . ?
C9 C8 Br1 120.4(7) . . ?
C8 C9 H9 120.3 . . ?
C8 C9 C10 119.5(9) . . ?
C10 C9 H9 120.3 . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.4(9) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C6 119.4(8) . . ?
O5 C11 C6 121.3(8) . . ?
O5 C11 C10 119.3(8) . . ?
Dy1 O5 Dy2 112.8(2) . 2_666 ?
Dy1 O5 H5A 53.2 . . ?
Dy2 O5 H5A 104.7 2_666 . ?
C11 O5 Dy1 125.0(5) . . ?
C11 O5 Dy2 122.1(5) . 2_666 ?
C11 O5 H5A 109.5 . . ?
Dy2 O6 H6 70.4 . . ?
Dy3 O6 Dy2 100.4(2) . . ?
Dy3 O6 H6 119.6 . . ?
C12 O6 Dy2 120.2(5) . . ?
C12 O6 Dy3 131.0(5) . . ?
C12 O6 H6 100.3 . . ?
O6 C12 H12A 109.0 . . ?
O6 C12 H12B 109.0 . . ?
O6 C12 C15 112.9(7) . . ?
H12A C12 H12B 107.8 . . ?
C15 C12 H12A 109.0 . . ?
C15 C12 H12B 109.0 . . ?
C13 O7 Dy2 119.3(5) . . ?
O7 C13 H13A 109.8 . . ?
O7 C13 H13B 109.8 . . ?
O7 C13 C15 109.2(7) . . ?
H13A C13 H13B 108.3 . . ?
C15 C13 H13A 109.8 . . ?
C15 C13 H13B 109.8 . . ?
C14 O8 H8 109.5 . . ?
O8 C14 H14A 109.1 . . ?
O8 C14 H14B 109.1 . . ?
O8 C14 C15 112.6(8) . . ?
H14A C14 H14B 107.8 . . ?
C15 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C13 C15 C12 111.0(7) . . ?
C13 C15 C14 110.5(8) . . ?
C13 C15 N2 106.2(7) . . ?
C14 C15 C12 108.2(7) . . ?
N2 C15 C12 104.9(7) . . ?
N2 C15 C14 115.9(7) . . ?
C15 N2 Dy2 105.9(5) . . ?
C16 N2 Dy2 132.9(6) . . ?
C16 N2 C15 120.5(7) . . ?
N2 C16 H16 117.7 . . ?
N2 C16 C17 124.6(8) . . ?
C17 C16 H16 117.7 . . ?
C18 C17 C16 117.7(8) . . ?
C18 C17 C22 119.4(8) . . ?
C22 C17 C16 122.9(8) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.1(8) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 Br2 121.6(7) . . ?
C18 C19 Br2A 114.9(9) . . ?
C18 C19 C20 121.0(9) . . ?
C20 C19 Br2 117.5(8) . . ?
C20 C19 Br2A 117.4(9) . . ?
C19 C20 H20 120.9 . . ?
C21 C20 C19 118.3(9) . . ?
C21 C20 H20 120.9 . . ?
C20 C21 H21 118.2 . . ?
C22 C21 C20 123.5(9) . . ?
C22 C21 H21 118.2 . . ?
C21 C22 C17 116.7(8) . . ?
O9 C22 C17 122.8(8) . . ?
O9 C22 C21 120.5(8) . . ?
Dy2 O9 H9A 74.1 . . ?
C22 O9 Dy2 142.0(6) . . ?
C22 O9 H9A 109.5 . . ?
Dy3 O10 H10A 84.0 . . ?
C23 O10 Dy3 120.4(5) . . ?
C23 O10 H10A 109.5 . . ?
O10 C23 H23A 110.0 . . ?
O10 C23 H23B 110.0 . . ?
O10 C23 C26 108.7(7) . . ?
H23A C23 H23B 108.3 . . ?
C26 C23 H23A 110.0 . . ?
C26 C23 H23B 110.0 . . ?
C24 O11 Dy3 121.0(5) . . ?
O11 C24 H24A 109.8 . . ?
O11 C24 H24B 109.8 . . ?
O11 C24 C26 109.3(7) . . ?
H24A C24 H24B 108.3 . . ?
C26 C24 H24A 109.8 . . ?
C26 C24 H24B 109.8 . . ?
O121 C25 H25A 108.6 . . ?
O121 C25 H25B 108.6 . . ?
O121 C25 C26 114.6(11) . . ?
O122 C25 H25C 107.5 . . ?
O122 C25 H25D 107.5 . . ?
O122 C25 C26 119.3(13) . . ?
H25A C25 H25B 107.6 . . ?
H25C C25 H25D 107.0 . . ?
C26 C25 H25A 108.6 . . ?
C26 C25 H25B 108.6 . . ?
C26 C25 H25C 107.5 . . ?
C26 C25 H25D 107.5 . . ?
C24 C26 C23 110.8(9) . . ?
C24 C26 C25 106.8(9) . . ?
C25 C26 C23 107.9(8) . . ?
N3 C26 C23 107.6(8) . . ?
N3 C26 C24 106.8(7) . . ?
N3 C26 C25 116.9(9) . . ?
C26 N3 Dy3 108.7(6) . . ?
C27 N3 Dy3 130.8(7) . . ?
C27 N3 C26 120.5(8) . . ?
N3 C27 H27 117.2 . . ?
N3 C27 C28 125.6(9) . . ?
C28 C27 H27 117.2 . . ?
C29 C28 C27 117.4(9) . . ?
C29 C28 C33 119.4(9) . . ?
C33 C28 C27 123.1(9) . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0(10) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 Br3 119.0(8) . . ?
C31 C30 Br3 120.0(8) . . ?
C31 C30 C29 120.5(10) . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.0(10) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 118.7 . . ?
C31 C32 C33 122.7(9) . . ?
C33 C32 H32 118.7 . . ?
C32 C33 C28 117.2(8) . . ?
O13 C33 C28 123.0(8) . . ?
O13 C33 C32 119.8(8) . . ?
Dy1 O13 H13 94.8 . . ?
Dy3 O13 Dy1 99.0(2) . . ?
Dy3 O13 H13 66.7 . . ?
C33 O13 Dy1 127.6(5) . . ?
C33 O13 Dy3 133.1(5) . . ?
C33 O13 H13 109.5 . . ?
C34 O14 Dy1 132.2(7) . . ?
O14 C34 H34A 109.1 . . ?
O14 C34 H34B 109.1 . . ?
O14 C34 C35 112.6(15) . . ?
H34A C34 H34B 107.8 . . ?
C35 C34 H34A 109.1 . . ?
C35 C34 H34B 109.1 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O2 C1 C4 24.2(8) . . . . ?
Dy1 O3 C2 C4 -25.4(7) . . . . ?
Dy1 O3 C2 C4 -160.9(5) 2_666 . . . ?
Dy1 N1 C5 C6 -9.4(12) . . . . ?
Dy1 O14 C34 C35 -137.9(11) . . . . ?
Dy2 O2 C1 C4 -86.3(6) . . . . ?
Dy2 O3 C2 C4 77.0(6) . . . . ?
Dy2 O6 C12 C15 -9.0(9) . . . . ?
Dy2 O7 C13 C15 -20.5(9) . . . . ?
Dy2 N2 C16 C17 9.8(15) . . . . ?
Dy3 O2 C1 C4 149.8(5) . . . . ?
Dy3 O6 C12 C15 -150.5(6) . . . . ?
Dy3 O10 C23 C26 -14.3(10) . . . . ?
Dy3 O11 C24 C26 9.6(10) . . . . ?
Dy3 N3 C27 C28 -3.4(16) . . . . ?
O2 C1 C4 C2 55.7(9) . . . . ?
O2 C1 C4 C3 174.8(7) . . . . ?
O2 C1 C4 N1 -57.7(8) . . . . ?
C1 C4 N1 Dy1 60.7(7) . . . . ?
C1 C4 N1 C5 -133.4(8) . . . . ?
O3 C2 C4 C1 -56.8(9) . . . . ?
O3 C2 C4 C3 -177.0(6) . . . . ?
O3 C2 C4 N1 57.8(8) . . . . ?
C2 C4 N1 Dy1 -58.9(6) . . . . ?
C2 C4 N1 C5 107.0(8) . . . . ?
O4 C3 C4 C1 49.5(9) . . . . ?
O4 C3 C4 C2 172.3(6) . . . . ?
O4 C3 C4 N1 -71.2(9) . . . . ?
C3 C4 N1 Dy1 -177.1(6) . . . . ?
C3 C4 N1 C5 -11.1(11) . . . . ?
C4 N1 C5 C6 -171.0(7) . . . . ?
N1 C5 C6 C7 -152.1(8) . . . . ?
N1 C5 C6 C11 29.0(12) . . . . ?
C5 C6 C7 C8 177.5(8) . . . . ?
C5 C6 C11 C10 -178.1(7) . . . . ?
C5 C6 C11 O5 3.3(12) . . . . ?
C6 C7 C8 Br1 -178.4(6) . . . . ?
C6 C7 C8 C9 2.1(14) . . . . ?
C6 C11 O5 Dy1 -56.2(10) . . . . ?
C6 C11 O5 Dy2 123.1(7) . . . 2_666 ?
C7 C6 C11 C10 3.0(12) . . . . ?
C7 C6 C11 O5 -175.6(7) . . . . ?
C7 C8 C9 C10 0.0(15) . . . . ?
C8 C9 C10 C11 -0.7(14) . . . . ?
Br1 C8 C9 C10 -179.5(7) . . . . ?
Br2 C19 C20 C21 178.0(10) . . . . ?
Br2A C19 C20 C21 -151.7(16) . . . . ?
Br3 C30 C31 C32 177.3(11) . . . . ?
C9 C10 C11 C6 -0.9(12) . . . . ?
C9 C10 C11 O5 177.8(8) . . . . ?
C10 C11 O5 Dy1 125.2(7) . . . . ?
C10 C11 O5 Dy2 -55.6(9) . . . 2_666 ?
C11 C6 C7 C8 -3.6(13) . . . . ?
O6 C12 C15 C13 80.9(9) . . . . ?
O6 C12 C15 C14 -157.7(8) . . . . ?
O6 C12 C15 N2 -33.4(9) . . . . ?
C12 C15 N2 Dy2 56.6(7) . . . . ?
C12 C15 N2 C16 -115.1(9) . . . . ?
O7 C13 C15 C12 -59.4(9) . . . . ?
O7 C13 C15 C14 -179.5(7) . . . . ?
O7 C13 C15 N2 54.1(9) . . . . ?
C13 C15 N2 Dy2 -61.1(7) . . . . ?
C13 C15 N2 C16 127.3(9) . . . . ?
O8 C14 C15 C12 -178.2(8) . . . . ?
O8 C14 C15 C13 -56.5(11) . . . . ?
O8 C14 C15 N2 64.3(12) . . . . ?
C14 C15 N2 Dy2 175.9(7) . . . . ?
C14 C15 N2 C16 4.2(13) . . . . ?
C15 N2 C16 C17 178.8(9) . . . . ?
N2 C16 C17 C18 -178.6(10) . . . . ?
N2 C16 C17 C22 1.3(17) . . . . ?
C16 C17 C18 C19 178.0(11) . . . . ?
C16 C17 C22 C21 -177.7(10) . . . . ?
C16 C17 C22 O9 0.9(16) . . . . ?
C17 C18 C19 Br2 -178.3(9) . . . . ?
C17 C18 C19 Br2A 152.1(14) . . . . ?
C17 C18 C19 C20 2(2) . . . . ?
C17 C22 O9 Dy2 -18.6(17) . . . . ?
C18 C17 C22 C21 2.3(16) . . . . ?
C18 C17 C22 O9 -179.2(10) . . . . ?
C18 C19 C20 C21 -2(2) . . . . ?
C19 C20 C21 C22 3(2) . . . . ?
C20 C21 C22 C17 -2.7(18) . . . . ?
C20 C21 C22 O9 178.7(11) . . . . ?
C21 C22 O9 Dy2 159.9(8) . . . . ?
C22 C17 C18 C19 -1.9(18) . . . . ?
O10 C23 C26 C24 -68.2(10) . . . . ?
O10 C23 C26 C25 175.2(8) . . . . ?
O10 C23 C26 N3 48.2(10) . . . . ?
C23 C26 N3 Dy3 -59.6(8) . . . . ?
C23 C26 N3 C27 121.2(10) . . . . ?
O11 C24 C26 C23 71.9(10) . . . . ?
O11 C24 C26 C25 -170.8(8) . . . . ?
O11 C24 C26 N3 -45.0(10) . . . . ?
C24 C26 N3 Dy3 59.4(8) . . . . ?
C24 C26 N3 C27 -119.8(10) . . . . ?
O121 C25 C26 C23 -57.7(14) . . . . ?
O121 C25 C26 C24 -176.9(11) . . . . ?
O121 C25 C26 N3 63.6(14) . . . . ?
O122 C25 C26 C23 173.9(14) . . . . ?
O122 C25 C26 C24 54.7(17) . . . . ?
O122 C25 C26 N3 -64.7(17) . . . . ?
C25 C26 N3 Dy3 178.8(7) . . . . ?
C25 C26 N3 C27 -0.3(14) . . . . ?
C26 N3 C27 C28 175.6(10) . . . . ?
N3 C27 C28 C29 168.5(12) . . . . ?
N3 C27 C28 C33 -14.4(18) . . . . ?
C27 C28 C29 C30 179.2(13) . . . . ?
C27 C28 C33 C32 -178.2(10) . . . . ?
C27 C28 C33 O13 -0.8(17) . . . . ?
C28 C29 C30 Br3 -176.3(11) . . . . ?
C28 C29 C30 C31 -4(2) . . . . ?
C28 C33 O13 Dy1 -151.2(8) . . . . ?
C28 C33 O13 Dy3 37.3(15) . . . . ?
C29 C28 C33 C32 -1.2(17) . . . . ?
C29 C28 C33 O13 176.2(11) . . . . ?
C29 C30 C31 C32 5(2) . . . . ?
C30 C31 C32 C33 -4(2) . . . . ?
C31 C32 C33 C28 2.3(18) . . . . ?
C31 C32 C33 O13 -175.1(12) . . . . ?
C32 C33 O13 Dy1 26.2(13) . . . . ?
C32 C33 O13 Dy3 -145.4(8) . . . . ?
C33 C28 C29 C30 2(2) . . . . ?

_platon_squeeze_details          
;
TITL nys-zf-27-P -1-s       R = 0.09                                            
CELL   11.8746   15.0586   17.1270     75.52     88.04     86.20                
SPGR P-1                                                                        
# Solvent Accessible Volume =      1069                                         
# Electrons Found in S.A.V. =       155                                         
# Note: Atoms in Void as Cxxx and Qxxx all others                               
Q101 0.857 0.828 0.119 !       4.12 eA-3                                        
Q102 0.816 0.919 0.279 !       3.74 eA-3                                        
C103 0.816 0.840 0.079 !       3.53 eA-3                                        
Q104 0.623 0.108 0.057 !       3.48 eA-3                                        
Q105 0.251 0.314 0.699 !       3.10 eA-3                                        
C106 0.918 0.090 0.545 !       3.00 eA-3                                        
Q107 0.019 0.948 0.220 !       2.91 eA-3                                        
Q108 0.858 0.570 0.133 !       2.89 eA-3                                        
Q109 0.578 0.448 0.381 !       2.88 eA-3                                        
C110 0.949 0.166 0.308 !       2.80 eA-3                                        
Q111 0.015 0.998 0.187 !       2.72 eA-3                                        
Q112 0.640 0.845 0.966 !       2.66 eA-3                                        
C113 0.074 0.913 0.371 !       2.63 eA-3                                        
Q114 0.751 0.442 0.303 !       2.61 eA-3                                        
C115 0.105 0.022 0.470 !       2.53 eA-3                                        
Q116 0.502 0.217 0.397 !       2.45 eA-3                                        
C117 0.110 0.957 0.171 !       2.44 eA-3                                        
Q118 0.574 0.716 0.347 !       2.42 eA-3                                        
C119 0.061 0.776 0.637 !       2.40 eA-3                                        
Q120 0.543 0.677 0.440 !       2.34 eA-3                                        
C121 0.907 0.878 0.026 !       2.30 eA-3                                        
Q122 0.826 0.393 0.012 !       2.27 eA-3                                        
Q123 0.534 0.423 0.466 !       2.24 eA-3                                        
Q124 0.583 0.644 0.379 !       2.23 eA-3                                        
C125 0.609 0.717 0.019 !       2.23 eA-3                                        
Q126 0.458 0.190 0.482 !       2.17 eA-3                                        
Q127 0.063 0.659 0.174 !       2.10 eA-3                                        
Q128 0.865 0.293 0.063 !       2.09 eA-3                                        
C129 0.980 0.132 0.271 !       2.07 eA-3                                        
C130 0.028 0.832 0.752 !       2.07 eA-3                                        
Q131 0.520 0.743 0.401 !       2.04 eA-3                                        
Q132 0.592 0.390 0.405 !       2.00 eA-3                                        
Q133 0.521 0.500 0.415 !       1.99 eA-3                                        
Q134 0.450 0.249 0.462 !       1.98 eA-3                                        
C135 0.158 0.884 0.258 !       1.92 eA-3                                        
Q136 0.793 0.342 0.155 !       1.73 eA-3                                        
Q137 0.517 0.162 0.421 !       1.66 eA-3                                        
Q138 0.363 0.943 0.334 !       1.66 eA-3                                        
Q139 0.561 0.198 0.434 !       1.65 eA-3                                        
Q140 0.550 0.330 0.394 !       1.56 eA-3                                        
C141 0.066 0.860 0.207 !       1.55 eA-3                                        
C142 0.332 0.349 0.004 !       1.55 eA-3                                        
Q143 0.485 0.327 0.431 !       1.47 eA-3                                        
Q144 0.564 0.777 0.457 !       1.46 eA-3                                        
Q145 0.485 0.574 0.402 !       1.44 eA-3                                        
Q146 0.094 0.596 0.142 !       1.42 eA-3                                        
Q147 0.625 0.234 0.116 !       1.40 eA-3                                        
Q148 0.322 0.434 0.198 !       1.39 eA-3                                        
C149 0.027 0.875 0.109 !       1.37 eA-3                                        
C150 0.060 0.187-0.013 !       1.36 eA-3                                        
Q151 0.609 0.973 0.375 !       1.29 eA-3                                        
Q152 0.577 0.777 0.565 !       1.28 eA-3                                        
Q153 0.391 0.999 0.508 !       1.27 eA-3                                        
Q154 0.549 0.799 0.431 !       1.25 eA-3                                        
Q155 0.593 0.702 0.485 !       1.24 eA-3                                        
Q156 0.501 0.422 0.336 !       1.22 eA-3                                        
Q157 0.626 0.544 0.425 !       1.22 eA-3                                        
Q158 0.668 0.040 0.254 !       1.21 eA-3                                        
Q159 0.408 0.095 0.452 !       1.20 eA-3                                        
Q160 0.437 0.197 0.704 !       1.20 eA-3                                        
Q161 0.519 0.411 0.405 !       1.18 eA-3                                        
Q162 0.577 0.724 0.410 !       1.16 eA-3                                        
Q163 0.515 0.257 0.443 !       1.16 eA-3                                        
Q164 0.220 0.648 0.917 !       1.14 eA-3                                        
Q165 0.482 0.302 0.344 !       1.13 eA-3                                        
C166 0.043 0.051 0.314 !       1.13 eA-3                                        
Q167 0.783 0.457 0.463 !       1.13 eA-3                                        
Q168 0.475 0.704 0.392 !       1.12 eA-3                                        
Q169 0.513 0.236 0.305 !       1.10 eA-3                                        
Q170 0.514 0.551 0.587 !       1.08 eA-3                                        
Q171 0.719 0.997 0.035 !       1.07 eA-3                                        
Q172 0.062 0.140 0.174 !       1.05 eA-3                                        
C173 0.994 0.095 0.311 !       1.03 eA-3                                        
Q174 0.591 0.460 0.420 !       1.02 eA-3                                        
Q175 0.421 0.662 0.487 !       1.01 eA-3                                        
C176 0.233 0.170-0.004 !       1.01 eA-3                                        
Q177 0.500 1.000 0.500 !       1.01 eA-3                                        
C178 0.127 0.406 0.131 !       1.01 eA-3                                        
C179 0.139 0.385 0.161 !       1.00 eA-3                                        
Q180 0.517 0.131 0.562 !       1.00 eA-3                                        
Q181 0.513 0.507 0.276 !       1.00 eA-3                                        
Q182 0.562 0.082 0.457 !       0.98 eA-3                                        
Q183 0.482 0.333 0.607 !       0.98 eA-3                                        
Q184 0.677 0.031 0.100 !       0.97 eA-3                                        
Q185 0.015 0.498 0.325 !       0.97 eA-3                                        
Q186 0.704 0.020 0.008 !       0.97 eA-3                                        
Q187 0.411 0.565 0.488 !       0.96 eA-3                                        
Q188 0.341 0.857 0.065 !       0.96 eA-3                                        
Q189 0.405 0.045 0.385 !       0.94 eA-3                                        
Q190 0.456 0.500 0.321 !       0.93 eA-3                                        
C191 0.750 0.624 0.864 !       0.93 eA-3                                        
C192 0.921 0.867 0.877 !       0.92 eA-3                                        
Q193 0.520 0.458 0.681 !       0.92 eA-3                                        
C194 1.001 0.845 0.085 !       0.90 eA-3                                        
Q195 0.659 0.597 0.451 !       0.90 eA-3                                        
C196 0.998 0.075 0.184 !       0.90 eA-3                                        
Q197 0.469 0.563 0.278 !       0.90 eA-3                                        
Q198 0.106 0.497 0.197 !       0.89 eA-3                                        
Q199 0.674 0.176 0.093 !       0.89 eA-3                                        
;
_platon_squeeze_special_details  ?
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 -0.001 -0.003 -0.005 1070 156 ' '

_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
;
_oxdiff_exptl_absorpt_empirical_full_max 3.348
_oxdiff_exptl_absorpt_empirical_full_min 0.372
# start Validation Reply Form
_vrf_EXPT005_nys-zf-27-100k-s_sq 
;
PROBLEM: _exptl_crystal_description is missing
RESPONSE: ...
;
_vrf_PLAT420_nys-zf-27-100k-s_sq 
;
PROBLEM: D-H Bond Without Acceptor  O8       --H8       .     Please Check 
RESPONSE: No Acceptor around can be found 
;
_vrf_PLAT971_nys-zf-27-100k-s_sq 
;
PROBLEM: Check Calcd Resid. Dens.  1.08Ang From C14             3.44 eA-3  
RESPONSE: Caused by Friedel ripple, no possible atom around
;
# end Validation Reply Form
