# 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. 
# 
#######################################################################

data_20161118a
_database_code_depnum_ccdc_archive 'CCDC 2061669'
loop_
_audit_author_name
_audit_author_address
'Hao-Ling Sun'
;Beijing Normal University
China
;
_audit_update_record             
;
2021-02-08 deposited with the CCDC.	2021-04-13 downloaded from the CCDC.
;
_audit_creation_date             2021-02-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C27 H26 Br2 Cl2 Dy2 N8 O9, C H4 O'
_chemical_formula_sum            'C28 H30 Br2 Cl2 Dy2 N8 O10'
_chemical_formula_weight         1194.32
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 O1 N1 Br1 Cl1 Dy1'
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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   9.5998(8)
_cell_length_b                   16.0132(12)
_cell_length_c                   24.1951(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.261(7)
_cell_angle_gamma                90.00
_cell_volume                     3713.3(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4076
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      27.8010
_cell_measurement_theta_min      3.4520
_exptl_absorpt_coefficient_mu    6.353
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.6a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    2.136
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2280
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_unetI/netI     0.0776
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            13914
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.32
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3127
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     18.00  52.00   1.00    5.80    --   23.13 -99.00  90.00   34
  2  ω      6.00 128.00   1.00    5.80    --   23.13 -19.00 -90.00  122
  3  ω     47.00 127.00   1.00    5.80    --   23.13 178.00 -30.00   80
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0019092000
_diffrn_orient_matrix_UB_12      -0.0438494000
_diffrn_orient_matrix_UB_13      0.0039397000
_diffrn_orient_matrix_UB_21      -0.0169601000
_diffrn_orient_matrix_UB_22      0.0061513000
_diffrn_orient_matrix_UB_23      0.0278456000
_diffrn_orient_matrix_UB_31      -0.0721141000
_diffrn_orient_matrix_UB_32      -0.0002788000
_diffrn_orient_matrix_UB_33      -0.0083361000
_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              'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5733
_reflns_number_total             7273
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.39.6a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.6a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.6a (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.079
_refine_diff_density_min         -0.870
_refine_diff_density_rms         0.201
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         7273
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0407
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0076P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0597
_refine_ls_wR_factor_ref         0.0670
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O6-H6
 0.85 with sigma of 0.01
 O8-H8
 0.85 with sigma of 0.01
 O7-H7
 0.85 with sigma of 0.01
 C27-H6
 1.910545 with sigma of 0.02
 Dy1-H6
 2.873782 with sigma of 0.02
 C26-H8
 1.90401 with sigma of 0.02
 Dy2-H8
 2.899894 with sigma of 0.02
 C25-H7
 1.919363 with sigma of 0.02
 Dy2-H7
 3.095477 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(N7) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(N3)
\\sim Ueq, Uanis(C18) \\sim Ueq: with sigma of 0.001 and sigma for terminal
atoms of 0.002
4.a Aromatic/amide H refined with riding coordinates:
 C19(H19), C7(H7a), C10(H10), C24(H24), C22(H22), C15(H15), C18(H18), C6(H6a),
 C2(H2), C11(H11), C23(H23), C3(H3), C12(H12), C14(H14)
4.b Idealised Me refined as rotating group:
 C27(H27a,H27b,H27c), C26(H26a,H26b,H26c), C25(H25a,H25b,H25c), C01G(H01a,H01b,
 H01c)
4.c Idealised tetrahedral OH refined as rotating group:
 O00N(H00N)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.38240(3) 0.308869(18) 0.354227(13) 0.00837(8) Uani 1 d . . D .
Dy2 Dy 0.12914(3) 0.435387(19) 0.248427(13) 0.00970(8) Uani 1 d . . D .
Br2 Br 1.08481(6) 0.36820(4) 0.53783(3) 0.01634(16) Uani 1 d . . . .
Br1 Br -0.56954(6) 0.39068(4) 0.06443(3) 0.01961(17) Uani 1 d . . . .
Cl2 Cl 0.05554(15) 0.49867(10) 0.34735(7) 0.0146(4) Uani 1 d . . . .
Cl1 Cl 0.47494(15) 0.24899(10) 0.25661(7) 0.0139(4) Uani 1 d . . . .
O2 O 0.1569(4) 0.3219(2) 0.31189(18) 0.0109(10) Uani 1 d . . . .
O5 O 0.3540(4) 0.4216(2) 0.28989(17) 0.0090(10) Uani 1 d . . . .
O1 O 0.5281(4) 0.2831(2) 0.42353(18) 0.0123(10) Uani 1 d . . . .
O6 O 0.3046(4) 0.4195(3) 0.40921(18) 0.0139(10) Uani 1 d . . D .
H6 H 0.232(4) 0.446(2) 0.3974(16) 0.021 Uiso 1 d . . DR .
O8 O 0.2171(4) 0.3232(3) 0.19535(19) 0.0175(11) Uani 1 d . . D .
H8 H 0.293(3) 0.300(3) 0.2074(17) 0.026 Uiso 1 d . . DR .
O4 O 0.0070(4) 0.4452(3) 0.17035(18) 0.0148(11) Uani 1 d . . . .
O7 O 0.0807(4) 0.5843(3) 0.2353(2) 0.0163(11) Uani 1 d . . D .
H7 H 0.135(2) 0.6252(10) 0.245(2) 0.024 Uiso 1 d . . DR .
O9 O 0.6306(4) 0.6554(2) 0.14292(18) 0.0119(10) Uani 1 d . . . .
N8 N 0.3237(5) 0.5048(3) 0.1968(2) 0.0084(12) Uani 1 d . . . .
N3 N 0.1841(5) 0.2443(3) 0.4078(2) 0.0087(11) Uani 1 d . . . U
N2 N -0.0836(5) 0.3022(3) 0.3074(2) 0.0094(12) Uani 1 d . . . .
N5 N -0.0795(5) 0.3515(3) 0.2594(2) 0.0110(12) Uani 1 d . . . .
N6 N 0.5873(5) 0.4576(3) 0.3001(2) 0.0101(12) Uani 1 d . . . .
N1 N 0.5883(5) 0.4037(3) 0.3466(2) 0.0108(12) Uani 1 d . . . .
O3 O -0.1235(4) 0.0921(3) 0.45826(19) 0.0180(11) Uani 1 d . . . .
N7 N 0.5334(5) 0.6042(3) 0.1592(2) 0.0090(12) Uani 1 d . . . U
O00N O 0.2911(5) 0.6474(3) 0.2984(2) 0.0289(13) Uani 1 d . . . .
H00N H 0.3423 0.6768 0.2807 0.043 Uiso 1 calc . . GR .
C9 C 0.0562(6) 0.2417(4) 0.3815(3) 0.0085(14) Uani 1 d . . . .
C21 C 0.4495(6) 0.5103(4) 0.2237(3) 0.0079(14) Uani 1 d . . . .
C20 C 0.4634(6) 0.4604(4) 0.2752(3) 0.0107(14) Uani 1 d . . . .
C19 C 0.7033(6) 0.4107(4) 0.3765(3) 0.0082(14) Uani 1 d . . . U
H19 H 0.7690 0.4485 0.3648 0.010 Uiso 1 calc . . R .
C7 C -0.1976(6) 0.3508(4) 0.2308(3) 0.0110(15) Uani 1 d . . . .
H7A H -0.2722 0.3239 0.2461 0.013 Uiso 1 calc . . R .
N4 N -0.0294(5) 0.1423(3) 0.4434(2) 0.0130(13) Uani 1 d . . . .
C16 C 0.6487(6) 0.3035(4) 0.4486(3) 0.0121(15) Uani 1 d . . . .
C10 C 0.2005(6) 0.1974(4) 0.4530(3) 0.0145(15) Uani 1 d . . . .
H10 H 0.2859 0.1991 0.4731 0.017 Uiso 1 calc . . R .
C24 C 0.3075(6) 0.5476(4) 0.1488(3) 0.0096(14) Uani 1 d . . . .
H24 H 0.2232 0.5431 0.1281 0.012 Uiso 1 calc . . R .
C17 C 0.7380(6) 0.3651(4) 0.4263(3) 0.0116(15) Uani 1 d . . . .
C8 C 0.0404(6) 0.2924(4) 0.3305(3) 0.0112(15) Uani 1 d . . . .
C27 C 0.3706(6) 0.4629(4) 0.4553(3) 0.0195(16) Uani 1 d . . D .
H27A H 0.4409 0.4996 0.4424 0.029 Uiso 1 calc . . GR .
H27B H 0.4131 0.4232 0.4808 0.029 Uiso 1 calc . . GR .
H27C H 0.3023 0.4949 0.4735 0.029 Uiso 1 calc . . GR .
C22 C 0.5543(6) 0.5605(4) 0.2057(3) 0.0115(14) Uani 1 d . . . .
H22 H 0.6395 0.5638 0.2259 0.014 Uiso 1 calc . . R .
C15 C 0.6971(6) 0.2636(4) 0.4976(3) 0.0155(15) Uani 1 d . . . .
H15 H 0.6415 0.2230 0.5127 0.019 Uiso 1 calc . . R .
C5 C -0.2226(6) 0.3883(4) 0.1769(3) 0.0131(15) Uani 1 d . . . .
C18 C 0.8668(6) 0.3839(4) 0.4544(3) 0.0120(15) Uani 1 d . . . U
H18 H 0.9242 0.4246 0.4403 0.014 Uiso 1 calc . . R .
C6 C -0.3578(6) 0.3775(4) 0.1512(3) 0.0135(15) Uani 1 d . . . .
H6A H -0.4268 0.3505 0.1698 0.016 Uiso 1 calc . . R .
C26 C 0.1576(6) 0.2758(4) 0.1498(3) 0.0251(18) Uani 1 d . . D .
H26A H 0.1221 0.3130 0.1213 0.038 Uiso 1 calc . . GR .
H26B H 0.0829 0.2419 0.1621 0.038 Uiso 1 calc . . GR .
H26C H 0.2279 0.2405 0.1354 0.038 Uiso 1 calc . . GR .
C4 C -0.1198(6) 0.4305(4) 0.1483(3) 0.0131(15) Uani 1 d . . . .
C1 C -0.3863(6) 0.4072(4) 0.0984(3) 0.0125(15) Uani 1 d . . . .
C2 C -0.2855(6) 0.4449(4) 0.0690(3) 0.0129(15) Uani 1 d . . . .
H2 H -0.3057 0.4630 0.0329 0.015 Uiso 1 calc . . R .
C11 C 0.0985(6) 0.1468(4) 0.4716(3) 0.0149(15) Uani 1 d . . . .
H11 H 0.1159 0.1153 0.5035 0.018 Uiso 1 calc . . R .
C13 C 0.9083(6) 0.3430(4) 0.5020(3) 0.0114(15) Uani 1 d . . . .
C23 C 0.4095(6) 0.5972(4) 0.1294(3) 0.0110(14) Uani 1 d . . . U
H23 H 0.3944 0.6258 0.0961 0.013 Uiso 1 calc . . R .
C3 C -0.1542(6) 0.4556(4) 0.0937(3) 0.0167(16) Uani 1 d . . . .
H3 H -0.0857 0.4804 0.0735 0.020 Uiso 1 calc . . R .
C12 C -0.0492(6) 0.1934(4) 0.3989(3) 0.0110(14) Uani 1 d . . . .
H12 H -0.1363 0.1954 0.3800 0.013 Uiso 1 calc . . R .
C14 C 0.8240(6) 0.2823(4) 0.5241(3) 0.0159(16) Uani 1 d . . . .
H14 H 0.8531 0.2546 0.5565 0.019 Uiso 1 calc . . R .
C25 C -0.0616(6) 0.6114(4) 0.2368(3) 0.0232(18) Uani 1 d . . D .
H25A H -0.1090 0.6020 0.2013 0.035 Uiso 1 calc . . GR .
H25B H -0.0638 0.6699 0.2454 0.035 Uiso 1 calc . . GR .
H25C H -0.1072 0.5805 0.2645 0.035 Uiso 1 calc . . GR .
C01G C 0.3446(8) 0.6427(5) 0.3544(3) 0.039(2) Uani 1 d . . . .
H01A H 0.4342 0.6160 0.3559 0.059 Uiso 1 calc . . GR .
H01B H 0.2817 0.6110 0.3757 0.059 Uiso 1 calc . . GR .
H01C H 0.3540 0.6981 0.3695 0.059 Uiso 1 calc . . GR .


_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 3.9825(5) . ?
Dy1 Cl1 2.7432(17) . ?
Dy1 O2 2.351(4) . ?
Dy1 O5 2.389(4) . ?
Dy1 O1 2.161(4) . ?
Dy1 O6 2.362(4) . ?
Dy1 O9 2.463(4) 2_645 ?
Dy1 N3 2.579(5) . ?
Dy1 N1 2.507(5) . ?
Dy2 Cl2 2.7289(17) . ?
Dy2 O2 2.384(4) . ?
Dy2 O5 2.338(4) . ?
Dy2 O8 2.390(4) . ?
Dy2 O4 2.172(4) . ?
Dy2 O7 2.446(4) . ?
Dy2 N8 2.560(5) . ?
Dy2 N5 2.438(5) . ?
Br2 C13 1.903(6) . ?
Br1 C1 1.917(6) . ?
O2 C8 1.317(7) . ?
O5 C20 1.288(7) . ?
O1 C16 1.318(6) . ?
O6 H6 0.851(9) . ?
O6 C27 1.430(7) . ?
O8 H8 0.849(9) . ?
O8 C26 1.431(7) . ?
O4 C4 1.322(6) . ?
O7 H7 0.862(10) . ?
O7 C25 1.436(6) . ?
O9 Dy1 2.463(4) 2_655 ?
O9 N7 1.318(6) . ?
N8 C21 1.342(6) . ?
N8 C24 1.348(8) . ?
N3 C9 1.351(6) . ?
N3 C10 1.329(8) . ?
N2 N5 1.406(7) . ?
N2 C8 1.295(7) . ?
N5 C7 1.295(7) . ?
N6 N1 1.418(7) . ?
N6 C20 1.303(7) . ?
N1 C19 1.290(6) . ?
O3 N4 1.276(6) . ?
N7 C22 1.331(8) . ?
N7 C23 1.360(7) . ?
O00N H00N 0.8200 . ?
O00N C01G 1.424(8) . ?
C9 C8 1.478(8) . ?
C9 C12 1.360(8) . ?
C21 C20 1.479(8) . ?
C21 C22 1.378(8) . ?
C19 H19 0.9300 . ?
C19 C17 1.432(8) . ?
C7 H7A 0.9300 . ?
C7 C5 1.442(9) . ?
N4 C11 1.371(7) . ?
N4 C12 1.359(8) . ?
C16 C17 1.432(8) . ?
C16 C15 1.401(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.366(8) . ?
C24 H24 0.9300 . ?
C24 C23 1.365(8) . ?
C17 C18 1.409(7) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C22 H22 0.9300 . ?
C15 H15 0.9300 . ?
C15 C14 1.377(8) . ?
C5 C6 1.418(8) . ?
C5 C4 1.411(8) . ?
C18 H18 0.9300 . ?
C18 C13 1.365(8) . ?
C6 H6A 0.9300 . ?
C6 C1 1.376(9) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C4 C3 1.401(9) . ?
C1 C2 1.372(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.375(7) . ?
C11 H11 0.9300 . ?
C13 C14 1.391(8) . ?
C23 H23 0.9300 . ?
C3 H3 0.9300 . ?
C12 H12 0.9300 . ?
C14 H14 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C01G H01A 0.9600 . ?
C01G H01B 0.9600 . ?
C01G H01C 0.9600 . ?

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
Cl1 Dy1 Dy2 80.80(3) . . ?
O2 Dy1 Dy2 33.00(10) . . ?
O2 Dy1 Cl1 89.50(11) . . ?
O2 Dy1 O5 65.21(13) . . ?
O2 Dy1 O6 82.30(14) . . ?
O2 Dy1 O9 93.11(13) . 2_645 ?
O2 Dy1 N3 64.34(15) . . ?
O2 Dy1 N1 128.63(15) . . ?
O5 Dy1 Dy2 32.22(9) . . ?
O5 Dy1 Cl1 74.56(10) . . ?
O5 Dy1 O9 140.22(14) . 2_645 ?
O5 Dy1 N3 124.75(14) . . ?
O5 Dy1 N1 63.63(14) . . ?
O1 Dy1 Dy2 160.09(11) . . ?
O1 Dy1 Cl1 111.98(12) . . ?
O1 Dy1 O2 153.41(15) . . ?
O1 Dy1 O5 133.98(14) . . ?
O1 Dy1 O6 85.26(15) . . ?
O1 Dy1 O9 79.60(14) . 2_645 ?
O1 Dy1 N3 89.84(15) . . ?
O1 Dy1 N1 72.21(16) . . ?
O6 Dy1 Dy2 77.26(10) . . ?
O6 Dy1 Cl1 151.08(11) . . ?
O6 Dy1 O5 76.82(15) . . ?
O6 Dy1 O9 135.63(15) . 2_645 ?
O6 Dy1 N3 75.62(15) . . ?
O6 Dy1 N1 82.13(15) . . ?
O9 Dy1 Dy2 119.72(9) 2_645 . ?
O9 Dy1 Cl1 72.22(11) 2_645 . ?
O9 Dy1 N3 62.99(14) 2_645 . ?
O9 Dy1 N1 130.37(14) 2_645 . ?
N3 Dy1 Dy2 94.92(10) . . ?
N3 Dy1 Cl1 125.24(11) . . ?
N1 Dy1 Dy2 95.72(11) . . ?
N1 Dy1 Cl1 81.55(12) . . ?
N1 Dy1 N3 152.50(16) . . ?
Cl2 Dy2 Dy1 78.71(3) . . ?
O2 Dy2 Dy1 32.48(8) . . ?
O2 Dy2 Cl2 75.11(11) . . ?
O2 Dy2 O8 75.14(15) . . ?
O2 Dy2 O7 147.12(15) . . ?
O2 Dy2 N8 125.99(14) . . ?
O2 Dy2 N5 64.69(14) . . ?
O5 Dy2 Dy1 33.01(10) . . ?
O5 Dy2 Cl2 86.41(11) . . ?
O5 Dy2 O2 65.49(13) . . ?
O5 Dy2 O8 79.28(13) . . ?
O5 Dy2 O7 108.16(13) . . ?
O5 Dy2 N8 64.47(15) . . ?
O5 Dy2 N5 130.17(16) . . ?
O8 Dy2 Dy1 75.03(10) . . ?
O8 Dy2 Cl2 150.16(11) . . ?
O8 Dy2 O7 137.14(16) . . ?
O8 Dy2 N8 76.95(15) . . ?
O8 Dy2 N5 87.83(16) . . ?
O4 Dy2 Dy1 151.10(11) . . ?
O4 Dy2 Cl2 125.61(12) . . ?
O4 Dy2 O2 130.56(14) . . ?
O4 Dy2 O5 145.04(15) . . ?
O4 Dy2 O8 77.09(15) . . ?
O4 Dy2 O7 74.19(15) . . ?
O4 Dy2 N8 85.24(15) . . ?
O4 Dy2 N5 74.24(16) . . ?
O7 Dy2 Dy1 133.15(10) . . ?
O7 Dy2 Cl2 72.25(12) . . ?
O7 Dy2 N8 69.62(14) . . ?
N8 Dy2 Dy1 95.69(10) . . ?
N8 Dy2 Cl2 119.96(11) . . ?
N5 Dy2 Dy1 97.17(12) . . ?
N5 Dy2 Cl2 81.59(13) . . ?
N5 Dy2 O7 113.56(14) . . ?
N5 Dy2 N8 156.80(17) . . ?
Dy1 O2 Dy2 114.52(16) . . ?
C8 O2 Dy1 126.8(4) . . ?
C8 O2 Dy2 115.3(3) . . ?
Dy2 O5 Dy1 114.78(16) . . ?
C20 O5 Dy1 118.7(4) . . ?
C20 O5 Dy2 125.7(4) . . ?
C16 O1 Dy1 145.4(4) . . ?
Dy1 O6 H6 117.7(14) . . ?
C27 O6 Dy1 131.5(3) . . ?
C27 O6 H6 109.6(15) . . ?
Dy2 O8 H8 117.6(14) . . ?
C26 O8 Dy2 132.5(4) . . ?
C26 O8 H8 109.2(15) . . ?
C4 O4 Dy2 141.1(4) . . ?
Dy2 O7 H7 126.8(18) . . ?
C25 O7 Dy2 117.8(3) . . ?
C25 O7 H7 108.6(17) . . ?
N7 O9 Dy1 125.0(3) . 2_655 ?
C21 N8 Dy2 116.9(4) . . ?
C21 N8 C24 116.2(5) . . ?
C24 N8 Dy2 126.1(4) . . ?
C9 N3 Dy1 116.9(4) . . ?
C10 N3 Dy1 125.8(4) . . ?
C10 N3 C9 115.6(5) . . ?
C8 N2 N5 110.8(5) . . ?
N2 N5 Dy2 117.5(3) . . ?
C7 N5 Dy2 130.3(4) . . ?
C7 N5 N2 111.8(5) . . ?
C20 N6 N1 110.7(5) . . ?
N6 N1 Dy1 117.2(3) . . ?
C19 N1 Dy1 131.6(4) . . ?
C19 N1 N6 111.0(5) . . ?
O9 N7 C22 120.3(5) . . ?
O9 N7 C23 120.4(5) . . ?
C22 N7 C23 119.3(5) . . ?
C01G O00N H00N 109.5 . . ?
N3 C9 C8 115.1(5) . . ?
N3 C9 C12 123.0(6) . . ?
C12 C9 C8 121.8(5) . . ?
N8 C21 C20 114.2(5) . . ?
N8 C21 C22 122.5(6) . . ?
C22 C21 C20 123.3(6) . . ?
O5 C20 N6 126.4(6) . . ?
O5 C20 C21 117.2(5) . . ?
N6 C20 C21 116.4(6) . . ?
N1 C19 H19 117.3 . . ?
N1 C19 C17 125.4(6) . . ?
C17 C19 H19 117.3 . . ?
N5 C7 H7A 117.5 . . ?
N5 C7 C5 125.1(6) . . ?
C5 C7 H7A 117.5 . . ?
O3 N4 C11 121.5(5) . . ?
O3 N4 C12 122.2(5) . . ?
C12 N4 C11 116.3(5) . . ?
O1 C16 C17 121.8(6) . . ?
O1 C16 C15 121.1(6) . . ?
C15 C16 C17 117.1(5) . . ?
N3 C10 H10 118.2 . . ?
N3 C10 C11 123.6(6) . . ?
C11 C10 H10 118.2 . . ?
N8 C24 H24 118.6 . . ?
N8 C24 C23 122.8(6) . . ?
C23 C24 H24 118.6 . . ?
C19 C17 C16 123.5(5) . . ?
C18 C17 C19 116.9(6) . . ?
C18 C17 C16 119.6(6) . . ?
O2 C8 C9 115.7(5) . . ?
N2 C8 O2 125.9(6) . . ?
N2 C8 C9 118.4(6) . . ?
O6 C27 H27A 109.5 . . ?
O6 C27 H27B 109.5 . . ?
O6 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N7 C22 C21 119.8(6) . . ?
N7 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C16 C15 H15 118.8 . . ?
C14 C15 C16 122.5(6) . . ?
C14 C15 H15 118.8 . . ?
C6 C5 C7 116.6(6) . . ?
C4 C5 C7 124.0(6) . . ?
C4 C5 C6 119.4(6) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 C17 120.6(6) . . ?
C13 C18 H18 119.7 . . ?
C5 C6 H6A 120.2 . . ?
C1 C6 C5 119.7(6) . . ?
C1 C6 H6A 120.2 . . ?
O8 C26 H26A 109.5 . . ?
O8 C26 H26B 109.5 . . ?
O8 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O4 C4 C5 122.7(6) . . ?
O4 C4 C3 119.5(6) . . ?
C3 C4 C5 117.8(6) . . ?
C6 C1 Br1 118.6(5) . . ?
C2 C1 Br1 119.8(5) . . ?
C2 C1 C6 121.5(6) . . ?
C1 C2 H2 120.4 . . ?
C1 C2 C3 119.1(6) . . ?
C3 C2 H2 120.4 . . ?
N4 C11 H11 119.8 . . ?
C10 C11 N4 120.4(6) . . ?
C10 C11 H11 119.8 . . ?
C18 C13 Br2 119.5(5) . . ?
C18 C13 C14 120.8(6) . . ?
C14 C13 Br2 119.7(5) . . ?
N7 C23 C24 119.2(6) . . ?
N7 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C4 C3 H3 118.8 . . ?
C2 C3 C4 122.3(6) . . ?
C2 C3 H3 118.8 . . ?
C9 C12 H12 119.5 . . ?
N4 C12 C9 121.0(6) . . ?
N4 C12 H12 119.5 . . ?
C15 C14 C13 119.4(6) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
O7 C25 H25A 109.5 . . ?
O7 C25 H25B 109.5 . . ?
O7 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O00N C01G H01A 109.5 . . ?
O00N C01G H01B 109.5 . . ?
O00N C01G H01C 109.5 . . ?
H01A C01G H01B 109.5 . . ?
H01A C01G H01C 109.5 . . ?
H01B C01G H01C 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 Dy2 O2 C8 160.6(5) . . . . ?
Dy1 Dy2 O5 C20 169.2(6) . . . . ?
Dy1 Dy2 O8 C26 147.7(6) . . . . ?
Dy1 Dy2 O4 C4 90.5(6) . . . . ?
Dy1 Dy2 O7 C25 -124.6(4) . . . . ?
Dy1 Dy2 N8 C21 -21.9(4) . . . . ?
Dy1 Dy2 N8 C24 169.0(5) . . . . ?
Dy1 Dy2 N5 N2 19.7(4) . . . . ?
Dy1 Dy2 N5 C7 -168.8(5) . . . . ?
Dy1 O2 C8 N2 177.9(4) . . . . ?
Dy1 O2 C8 C9 -3.9(7) . . . . ?
Dy1 O5 C20 N6 -16.0(8) . . . . ?
Dy1 O5 C20 C21 161.3(4) . . . . ?
Dy1 O1 C16 C17 -3.2(11) . . . . ?
Dy1 O1 C16 C15 178.9(5) . . . . ?
Dy1 O9 N7 C22 -107.9(5) 2_655 . . . ?
Dy1 O9 N7 C23 70.4(6) 2_655 . . . ?
Dy1 N3 C9 C8 -12.7(6) . . . . ?
Dy1 N3 C9 C12 164.6(5) . . . . ?
Dy1 N3 C10 C11 -162.0(5) . . . . ?
Dy1 N1 C19 C17 -3.7(9) . . . . ?
Dy2 Dy1 O2 C8 -158.0(6) . . . . ?
Dy2 Dy1 O5 C20 -170.0(5) . . . . ?
Dy2 Dy1 O1 C16 -53.3(9) . . . . ?
Dy2 Dy1 O6 C27 -149.2(5) . . . . ?
Dy2 Dy1 N3 C9 20.7(4) . . . . ?
Dy2 Dy1 N3 C10 -175.1(5) . . . . ?
Dy2 Dy1 N1 N6 -18.0(4) . . . . ?
Dy2 Dy1 N1 C19 166.0(5) . . . . ?
Dy2 O2 C8 N2 20.0(8) . . . . ?
Dy2 O2 C8 C9 -161.7(4) . . . . ?
Dy2 O5 C20 N6 175.1(4) . . . . ?
Dy2 O5 C20 C21 -7.6(7) . . . . ?
Dy2 O4 C4 C5 -7.8(10) . . . . ?
Dy2 O4 C4 C3 173.9(5) . . . . ?
Dy2 N8 C21 C20 11.5(6) . . . . ?
Dy2 N8 C21 C22 -166.5(5) . . . . ?
Dy2 N8 C24 C23 166.2(4) . . . . ?
Dy2 N5 C7 C5 14.5(9) . . . . ?
Br2 C13 C14 C15 -179.2(5) . . . . ?
Br1 C1 C2 C3 -179.4(5) . . . . ?
Cl2 Dy2 O2 Dy1 -92.31(17) . . . . ?
Cl2 Dy2 O2 C8 68.3(4) . . . . ?
Cl2 Dy2 O5 Dy1 74.72(16) . . . . ?
Cl2 Dy2 O5 C20 -116.1(4) . . . . ?
Cl2 Dy2 O8 C26 118.5(5) . . . . ?
Cl2 Dy2 O4 C4 -52.5(6) . . . . ?
Cl2 Dy2 O7 C25 -70.1(4) . . . . ?
Cl2 Dy2 N8 C21 58.3(4) . . . . ?
Cl2 Dy2 N8 C24 -110.8(5) . . . . ?
Cl2 Dy2 N5 N2 -57.7(4) . . . . ?
Cl2 Dy2 N5 C7 113.8(5) . . . . ?
Cl1 Dy1 Dy2 Cl2 -176.56(5) . . . . ?
Cl1 Dy1 Dy2 O2 103.48(19) . . . . ?
Cl1 Dy1 Dy2 O5 -75.59(19) . . . . ?
Cl1 Dy1 Dy2 O8 17.74(11) . . . . ?
Cl1 Dy1 Dy2 O4 33.3(2) . . . . ?
Cl1 Dy1 Dy2 O7 -124.38(15) . . . . ?
Cl1 Dy1 Dy2 N8 -57.09(12) . . . . ?
Cl1 Dy1 Dy2 N5 103.55(13) . . . . ?
Cl1 Dy1 O2 Dy2 -73.74(16) . . . . ?
Cl1 Dy1 O2 C8 128.2(4) . . . . ?
Cl1 Dy1 O5 Dy2 97.31(17) . . . . ?
Cl1 Dy1 O5 C20 -72.7(4) . . . . ?
Cl1 Dy1 O1 C16 74.2(7) . . . . ?
Cl1 Dy1 O6 C27 -107.6(5) . . . . ?
Cl1 Dy1 N3 C9 -61.5(4) . . . . ?
Cl1 Dy1 N3 C10 102.7(5) . . . . ?
Cl1 Dy1 N1 N6 61.8(4) . . . . ?
Cl1 Dy1 N1 C19 -114.2(5) . . . . ?
O2 Dy1 Dy2 Cl2 79.97(19) . . . . ?
O2 Dy1 Dy2 O5 -179.1(3) . . . . ?
O2 Dy1 Dy2 O8 -85.7(2) . . . . ?
O2 Dy1 Dy2 O4 -70.1(3) . . . . ?
O2 Dy1 Dy2 O7 132.1(2) . . . . ?
O2 Dy1 Dy2 N8 -160.6(2) . . . . ?
O2 Dy1 Dy2 N5 0.1(2) . . . . ?
O2 Dy1 O5 Dy2 0.56(16) . . . . ?
O2 Dy1 O5 C20 -169.5(4) . . . . ?
O2 Dy1 O1 C16 -144.1(6) . . . . ?
O2 Dy1 O6 C27 177.6(5) . . . . ?
O2 Dy1 N3 C9 7.9(4) . . . . ?
O2 Dy1 N3 C10 172.1(6) . . . . ?
O2 Dy1 N1 N6 -20.7(5) . . . . ?
O2 Dy1 N1 C19 163.3(5) . . . . ?
O2 Dy2 O5 Dy1 -0.55(16) . . . . ?
O2 Dy2 O5 C20 168.7(5) . . . . ?
O2 Dy2 O8 C26 114.0(6) . . . . ?
O2 Dy2 O4 C4 48.9(7) . . . . ?
O2 Dy2 O7 C25 -77.4(5) . . . . ?
O2 Dy2 N8 C21 -34.6(5) . . . . ?
O2 Dy2 N8 C24 156.2(4) . . . . ?
O2 Dy2 N5 N2 19.7(4) . . . . ?
O2 Dy2 N5 C7 -168.7(6) . . . . ?
O5 Dy1 Dy2 Cl2 -100.97(19) . . . . ?
O5 Dy1 Dy2 O2 179.1(3) . . . . ?
O5 Dy1 Dy2 O8 93.3(2) . . . . ?
O5 Dy1 Dy2 O4 108.9(3) . . . . ?
O5 Dy1 Dy2 O7 -48.8(2) . . . . ?
O5 Dy1 Dy2 N8 18.5(2) . . . . ?
O5 Dy1 Dy2 N5 179.1(2) . . . . ?
O5 Dy1 O2 Dy2 -0.55(16) . . . . ?
O5 Dy1 O2 C8 -158.6(5) . . . . ?
O5 Dy1 O1 C16 -15.3(8) . . . . ?
O5 Dy1 O6 C27 -116.1(5) . . . . ?
O5 Dy1 N3 C9 33.9(5) . . . . ?
O5 Dy1 N3 C10 -162.0(5) . . . . ?
O5 Dy1 N1 N6 -15.1(4) . . . . ?
O5 Dy1 N1 C19 168.9(6) . . . . ?
O5 Dy2 O2 Dy1 0.56(16) . . . . ?
O5 Dy2 O2 C8 161.2(4) . . . . ?
O5 Dy2 O8 C26 -178.7(6) . . . . ?
O5 Dy2 O4 C4 154.6(5) . . . . ?
O5 Dy2 O7 C25 -150.1(4) . . . . ?
O5 Dy2 N8 C21 -10.9(4) . . . . ?
O5 Dy2 N8 C24 180.0(5) . . . . ?
O5 Dy2 N5 N2 20.3(5) . . . . ?
O5 Dy2 N5 C7 -168.2(5) . . . . ?
O1 Dy1 Dy2 Cl2 -44.8(3) . . . . ?
O1 Dy1 Dy2 O2 -124.7(4) . . . . ?
O1 Dy1 Dy2 O5 56.2(4) . . . . ?
O1 Dy1 Dy2 O8 149.5(3) . . . . ?
O1 Dy1 Dy2 O4 165.1(4) . . . . ?
O1 Dy1 Dy2 O7 7.4(4) . . . . ?
O1 Dy1 Dy2 N8 74.7(3) . . . . ?
O1 Dy1 Dy2 N5 -124.7(3) . . . . ?
O1 Dy1 O2 Dy2 141.3(3) . . . . ?
O1 Dy1 O2 C8 -16.7(6) . . . . ?
O1 Dy1 O5 Dy2 -156.84(18) . . . . ?
O1 Dy1 O5 C20 33.1(5) . . . . ?
O1 Dy1 O6 C27 21.2(5) . . . . ?
O1 Dy1 N3 C9 -178.6(4) . . . . ?
O1 Dy1 N3 C10 -14.5(5) . . . . ?
O1 Dy1 N1 N6 178.2(4) . . . . ?
O1 Dy1 N1 C19 2.2(5) . . . . ?
O1 C16 C17 C19 1.7(10) . . . . ?
O1 C16 C17 C18 -179.1(6) . . . . ?
O1 C16 C15 C14 178.6(6) . . . . ?
O6 Dy1 Dy2 Cl2 -15.53(11) . . . . ?
O6 Dy1 Dy2 O2 -95.5(2) . . . . ?
O6 Dy1 Dy2 O5 85.4(2) . . . . ?
O6 Dy1 Dy2 O8 178.77(15) . . . . ?
O6 Dy1 Dy2 O4 -165.6(2) . . . . ?
O6 Dy1 Dy2 O7 36.65(18) . . . . ?
O6 Dy1 Dy2 N8 103.93(15) . . . . ?
O6 Dy1 Dy2 N5 -95.43(16) . . . . ?
O6 Dy1 O2 Dy2 78.45(19) . . . . ?
O6 Dy1 O2 C8 -79.6(5) . . . . ?
O6 Dy1 O5 Dy2 -86.95(19) . . . . ?
O6 Dy1 O5 C20 103.0(4) . . . . ?
O6 Dy1 O1 C16 -81.9(7) . . . . ?
O6 Dy1 N3 C9 96.2(4) . . . . ?
O6 Dy1 N3 C10 -99.6(5) . . . . ?
O6 Dy1 N1 N6 -94.2(4) . . . . ?
O6 Dy1 N1 C19 89.7(5) . . . . ?
O8 Dy2 O2 Dy1 85.36(19) . . . . ?
O8 Dy2 O2 C8 -114.0(4) . . . . ?
O8 Dy2 O5 Dy1 -78.98(19) . . . . ?
O8 Dy2 O5 C20 90.2(5) . . . . ?
O8 Dy2 O4 C4 106.0(6) . . . . ?
O8 Dy2 O7 C25 116.1(4) . . . . ?
O8 Dy2 N8 C21 -95.1(4) . . . . ?
O8 Dy2 N8 C24 95.8(5) . . . . ?
O8 Dy2 N5 N2 94.3(4) . . . . ?
O8 Dy2 N5 C7 -94.2(5) . . . . ?
O4 Dy2 O2 Dy1 143.25(18) . . . . ?
O4 Dy2 O2 C8 -56.1(5) . . . . ?
O4 Dy2 O5 Dy1 -127.1(2) . . . . ?
O4 Dy2 O5 C20 42.1(6) . . . . ?
O4 Dy2 O8 C26 -24.7(5) . . . . ?
O4 Dy2 O7 C25 66.4(4) . . . . ?
O4 Dy2 N8 C21 -172.9(4) . . . . ?
O4 Dy2 N8 C24 18.0(5) . . . . ?
O4 Dy2 N5 N2 171.5(4) . . . . ?
O4 Dy2 N5 C7 -17.0(5) . . . . ?
O4 C4 C3 C2 -177.7(6) . . . . ?
O7 Dy2 O2 Dy1 -85.2(3) . . . . ?
O7 Dy2 O2 C8 75.5(5) . . . . ?
O7 Dy2 O5 Dy1 144.72(17) . . . . ?
O7 Dy2 O5 C20 -46.1(5) . . . . ?
O7 Dy2 O8 C26 -73.5(6) . . . . ?
O7 Dy2 O4 C4 -106.2(6) . . . . ?
O7 Dy2 N8 C21 112.2(4) . . . . ?
O7 Dy2 N8 C24 -56.9(5) . . . . ?
O7 Dy2 N5 N2 -124.1(4) . . . . ?
O7 Dy2 N5 C7 47.4(6) . . . . ?
O9 Dy1 Dy2 Cl2 120.10(12) 2_645 . . . ?
O9 Dy1 Dy2 O2 40.1(2) 2_645 . . . ?
O9 Dy1 Dy2 O5 -138.9(2) 2_645 . . . ?
O9 Dy1 Dy2 O8 -45.60(16) 2_645 . . . ?
O9 Dy1 Dy2 O4 -30.0(2) 2_645 . . . ?
O9 Dy1 Dy2 O7 172.28(18) 2_645 . . . ?
O9 Dy1 Dy2 N8 -120.44(16) 2_645 . . . ?
O9 Dy1 Dy2 N5 40.21(17) 2_645 . . . ?
O9 Dy1 O2 Dy2 -145.90(19) 2_645 . . . ?
O9 Dy1 O2 C8 56.1(5) 2_645 . . . ?
O9 Dy1 O5 Dy2 63.1(3) 2_645 . . . ?
O9 Dy1 O5 C20 -106.9(4) 2_645 . . . ?
O9 Dy1 O1 C16 140.0(7) 2_645 . . . ?
O9 Dy1 O6 C27 91.0(5) 2_645 . . . ?
O9 Dy1 N3 C9 -100.3(4) 2_645 . . . ?
O9 Dy1 N3 C10 63.9(5) 2_645 . . . ?
O9 Dy1 N1 N6 119.7(4) 2_645 . . . ?
O9 Dy1 N1 C19 -56.3(6) 2_645 . . . ?
O9 N7 C22 C21 176.8(5) . . . . ?
O9 N7 C23 C24 -176.1(5) . . . . ?
N8 Dy2 O2 Dy1 24.1(3) . . . . ?
N8 Dy2 O2 C8 -175.2(4) . . . . ?
N8 Dy2 O5 Dy1 -159.5(2) . . . . ?
N8 Dy2 O5 C20 9.7(4) . . . . ?
N8 Dy2 O8 C26 -112.7(6) . . . . ?
N8 Dy2 O4 C4 -176.3(6) . . . . ?
N8 Dy2 O7 C25 157.1(5) . . . . ?
N8 Dy2 N5 N2 142.8(4) . . . . ?
N8 Dy2 N5 C7 -45.6(7) . . . . ?
N8 C21 C20 O5 -3.6(8) . . . . ?
N8 C21 C20 N6 173.9(5) . . . . ?
N8 C21 C22 N7 -1.6(9) . . . . ?
N8 C24 C23 N7 0.1(9) . . . . ?
N3 Dy1 Dy2 Cl2 58.50(12) . . . . ?
N3 Dy1 Dy2 O2 -21.5(2) . . . . ?
N3 Dy1 Dy2 O5 159.5(2) . . . . ?
N3 Dy1 Dy2 O8 -107.20(15) . . . . ?
N3 Dy1 Dy2 O4 -91.6(2) . . . . ?
N3 Dy1 Dy2 O7 110.69(18) . . . . ?
N3 Dy1 Dy2 N8 177.97(16) . . . . ?
N3 Dy1 Dy2 N5 -21.39(16) . . . . ?
N3 Dy1 O2 Dy2 156.1(2) . . . . ?
N3 Dy1 O2 C8 -1.9(4) . . . . ?
N3 Dy1 O5 Dy2 -25.2(3) . . . . ?
N3 Dy1 O5 C20 164.8(4) . . . . ?
N3 Dy1 O1 C16 -157.5(7) . . . . ?
N3 Dy1 O6 C27 112.2(5) . . . . ?
N3 Dy1 N1 N6 -130.3(4) . . . . ?
N3 Dy1 N1 C19 53.7(7) . . . . ?
N3 C9 C8 O2 11.1(8) . . . . ?
N3 C9 C8 N2 -170.5(5) . . . . ?
N3 C9 C12 N4 -2.3(9) . . . . ?
N3 C10 C11 N4 -0.1(10) . . . . ?
N2 N5 C7 C5 -173.5(6) . . . . ?
N5 Dy2 O2 Dy1 -179.9(2) . . . . ?
N5 Dy2 O2 C8 -19.3(4) . . . . ?
N5 Dy2 O5 Dy1 -1.1(3) . . . . ?
N5 Dy2 O5 C20 168.1(4) . . . . ?
N5 Dy2 O8 C26 49.6(6) . . . . ?
N5 Dy2 O4 C4 14.6(6) . . . . ?
N5 Dy2 O7 C25 2.0(5) . . . . ?
N5 Dy2 N8 C21 -145.3(4) . . . . ?
N5 Dy2 N8 C24 45.5(7) . . . . ?
N5 N2 C8 O2 -1.6(8) . . . . ?
N5 N2 C8 C9 -179.8(5) . . . . ?
N5 C7 C5 C6 177.3(6) . . . . ?
N5 C7 C5 C4 0.4(10) . . . . ?
N6 N1 C19 C17 -179.9(6) . . . . ?
N1 Dy1 Dy2 Cl2 -96.11(12) . . . . ?
N1 Dy1 Dy2 O2 -176.1(2) . . . . ?
N1 Dy1 Dy2 O5 4.9(2) . . . . ?
N1 Dy1 Dy2 O8 98.19(16) . . . . ?
N1 Dy1 Dy2 O4 113.8(3) . . . . ?
N1 Dy1 Dy2 O7 -43.93(18) . . . . ?
N1 Dy1 Dy2 N8 23.35(16) . . . . ?
N1 Dy1 Dy2 N5 -176.00(17) . . . . ?
N1 Dy1 O2 Dy2 5.0(3) . . . . ?
N1 Dy1 O2 C8 -153.0(4) . . . . ?
N1 Dy1 O5 Dy2 -174.6(2) . . . . ?
N1 Dy1 O5 C20 15.4(4) . . . . ?
N1 Dy1 O1 C16 1.4(7) . . . . ?
N1 Dy1 O6 C27 -51.5(5) . . . . ?
N1 Dy1 N3 C9 133.2(4) . . . . ?
N1 Dy1 N3 C10 -62.7(6) . . . . ?
N1 N6 C20 O5 1.0(8) . . . . ?
N1 N6 C20 C21 -176.3(5) . . . . ?
N1 C19 C17 C16 1.5(10) . . . . ?
N1 C19 C17 C18 -177.7(6) . . . . ?
O3 N4 C11 C10 176.1(6) . . . . ?
O3 N4 C12 C9 -175.0(6) . . . . ?
C9 N3 C10 C11 2.4(9) . . . . ?
C21 N8 C24 C23 -3.0(9) . . . . ?
C20 N6 N1 Dy1 13.6(6) . . . . ?
C20 N6 N1 C19 -169.6(5) . . . . ?
C20 C21 C22 N7 -179.3(6) . . . . ?
C19 C17 C18 C13 -179.6(6) . . . . ?
C7 C5 C6 C1 -176.1(6) . . . . ?
C7 C5 C4 O4 -5.4(10) . . . . ?
C7 C5 C4 C3 172.9(6) . . . . ?
C16 C17 C18 C13 1.1(9) . . . . ?
C16 C15 C14 C13 0.1(10) . . . . ?
C10 N3 C9 C8 -178.5(6) . . . . ?
C10 N3 C9 C12 -1.2(9) . . . . ?
C24 N8 C21 C20 -178.3(5) . . . . ?
C24 N8 C21 C22 3.8(8) . . . . ?
C17 C16 C15 C14 0.6(10) . . . . ?
C17 C18 C13 Br2 178.6(5) . . . . ?
C17 C18 C13 C14 -0.5(10) . . . . ?
C8 N2 N5 Dy2 -17.6(6) . . . . ?
C8 N2 N5 C7 169.3(5) . . . . ?
C8 C9 C12 N4 174.8(6) . . . . ?
C22 N7 C23 C24 2.2(9) . . . . ?
C22 C21 C20 O5 174.3(6) . . . . ?
C22 C21 C20 N6 -8.2(9) . . . . ?
C15 C16 C17 C19 179.6(6) . . . . ?
C15 C16 C17 C18 -1.2(9) . . . . ?
C5 C6 C1 Br1 179.4(5) . . . . ?
C5 C6 C1 C2 2.2(9) . . . . ?
C5 C4 C3 C2 3.9(10) . . . . ?
C18 C13 C14 C15 -0.2(10) . . . . ?
C6 C5 C4 O4 177.8(6) . . . . ?
C6 C5 C4 C3 -3.8(9) . . . . ?
C6 C1 C2 C3 -2.2(10) . . . . ?
C4 C5 C6 C1 0.9(9) . . . . ?
C1 C2 C3 C4 -1.0(10) . . . . ?
C11 N4 C12 C9 4.5(9) . . . . ?
C23 N7 C22 C21 -1.5(9) . . . . ?
C12 C9 C8 O2 -166.2(6) . . . . ?
C12 C9 C8 N2 12.2(9) . . . . ?
C12 N4 C11 C10 -3.3(9) . . . . ?

_olex2_date_sample_data_collection 2016-11-18
_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 1.427
_oxdiff_exptl_absorpt_empirical_full_min 0.826
####################################################################### 
# 
# 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_20170524f
_database_code_depnum_ccdc_archive 'CCDC 2061670'
loop_
_audit_author_name
_audit_author_address
'Hao-Ling Sun'
;Beijing Normal University
China
;
_audit_update_record             
;
2021-02-08 deposited with the CCDC.	2021-04-13 downloaded from the CCDC.
;
_audit_creation_date             2021-02-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C15 H14 Br Cl Dy N5 O4'
_chemical_formula_sum            'C15 H14 Br Cl Dy N5 O4'
_chemical_formula_weight         606.17
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 O1 N1 Br1 Dy1 Cl1'
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'
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'

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

_cell_length_a                   8.50540(10)
_cell_length_b                   10.29646(12)
_cell_length_c                   12.8339(11)
_cell_angle_alpha                68.629(10)
_cell_angle_beta                 84.789(8)
_cell_angle_gamma                66.328(11)
_cell_volume                     956.56(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1618
_cell_measurement_temperature    100(20)
_cell_measurement_theta_max      25.9090
_cell_measurement_theta_min      3.8020
_exptl_absorpt_coefficient_mu    6.165
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    2.105
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             578
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0578
_diffrn_reflns_av_unetI/netI     0.1029
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5320
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.33
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(20)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3127
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     17.00 105.00   1.00    2.70    --   23.13  57.00  60.00   88
  2  ω     35.00  60.00   1.00    2.70    --  -21.88 178.00-150.00   25
  3  ω    -20.00 101.00   1.00    2.70    --   23.13  37.00-150.00  121
  4  ω    -13.00  27.00   1.00    2.70    --  -21.88 -99.00-180.00   40
  5  ω    -36.00  64.00   1.00    2.70    --   23.13 -57.00 -90.00  100
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0712762000
_diffrn_orient_matrix_UB_12      0.0413347000
_diffrn_orient_matrix_UB_13      -0.0400755000
_diffrn_orient_matrix_UB_21      0.0362684000
_diffrn_orient_matrix_UB_22      0.0536405000
_diffrn_orient_matrix_UB_23      -0.0285105000
_diffrn_orient_matrix_UB_31      0.0439386000
_diffrn_orient_matrix_UB_32      -0.0437220000
_diffrn_orient_matrix_UB_33      -0.0334410000
_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              'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2797
_reflns_number_total             3361
_reflns_odcompleteness_completeness 99.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.370
_refine_diff_density_min         -1.383
_refine_diff_density_rms         0.244
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         3361
_refine_ls_number_restraints     222
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0500
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0238P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0929
_refine_ls_wR_factor_ref         0.1031
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15: within 3.8A with
sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C7) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C9) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.02
Uanis(C6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13)
3.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.60008(5) 0.77636(4) 0.53296(3) 0.01070(14) Uani 1 d . . . .
Br1 Br 0.71812(13) 0.11002(11) 1.10236(8) 0.0276(3) Uani 1 d . . . .
Cl1 Cl 0.7069(3) 0.7659(2) 0.32833(18) 0.0165(5) Uani 1 d . . . .
O1 O 0.7063(7) 0.5352(6) 0.6300(5) 0.0125(13) Uani 1 d . . . .
O2 O 0.3620(7) 0.9926(6) 0.5382(5) 0.0160(14) Uani 1 d . . . .
O3 O -0.3893(7) 1.2447(6) 0.5653(5) 0.0136(13) Uani 1 d . . . .
O4 O 0.6967(7) 0.7781(7) 0.6980(5) 0.0196(15) Uani 1 d . . . .
N1 N 0.3837(8) 0.7308(8) 0.6712(6) 0.0147(17) Uani 1 d . . . .
N2 N 0.2189(8) 0.8517(7) 0.6572(6) 0.0115(16) Uani 1 d . . . .
N4 N -0.2362(9) 1.2469(8) 0.5408(6) 0.0122(16) Uani 1 d . . . .
N3 N 0.0842(8) 1.2442(7) 0.4844(6) 0.0102(16) Uani 1 d . . . .
N5 N 0.7501(9) 0.8421(9) 0.8393(7) 0.029(2) Uani 1 d . . . .
C1 C 0.7058(11) 0.4490(10) 0.7333(7) 0.0163(13) Uani 1 d . . . U
C2 C 0.8540(11) 0.3188(9) 0.7857(7) 0.0173(14) Uani 1 d . . . U
H2 H 0.9541 0.2963 0.7449 0.021 Uiso 1 calc . . R .
C3 C 0.8586(11) 0.2234(10) 0.8936(7) 0.0183(14) Uani 1 d . . . U
H3 H 0.9622 0.1382 0.9268 0.022 Uiso 1 calc . . R .
C4 C 0.7117(11) 0.2500(10) 0.9564(8) 0.0196(14) Uani 1 d . . . U
C5 C 0.5665(11) 0.3760(9) 0.9084(7) 0.0172(14) Uani 1 d . . . U
H5 H 0.4671 0.3959 0.9502 0.021 Uiso 1 calc . . R .
C6 C 0.5603(11) 0.4779(10) 0.7980(7) 0.0157(13) Uani 1 d . . . U
C7 C 0.4016(11) 0.6136(9) 0.7611(7) 0.0156(12) Uani 1 d . . . U
H7 H 0.3054 0.6165 0.8054 0.019 Uiso 1 calc . . R .
C8 C 0.2255(10) 0.9764(9) 0.5858(7) 0.0099(12) Uani 1 d . . . U
C9 C 0.0636(10) 1.1175(9) 0.5547(7) 0.0102(13) Uani 1 d . . . U
C10 C -0.0931(10) 1.1177(9) 0.5842(7) 0.0116(14) Uani 1 d . . . U
H10 H -0.1031 1.0278 0.6352 0.014 Uiso 1 calc . . R .
C11 C -0.2193(10) 1.3725(10) 0.4727(7) 0.0127(15) Uani 1 d . . . U
H11 H -0.3188 1.4635 0.4427 0.015 Uiso 1 calc . . R .
C12 C -0.0581(10) 1.3722(9) 0.4450(7) 0.0109(14) Uani 1 d . . . U
H12 H -0.0481 1.4637 0.3976 0.013 Uiso 1 calc . . R .
C13 C 0.6625(12) 0.8663(11) 0.7490(8) 0.024(2) Uani 1 d . . . U
H13 H 0.5650 0.9596 0.7210 0.029 Uiso 1 calc . . R .
C14 C 0.7035(14) 0.9516(13) 0.8926(10) 0.050(3) Uani 1 d . . . U
H14A H 0.6010 1.0405 0.8525 0.076 Uiso 1 calc . . GR .
H14B H 0.7987 0.9827 0.8912 0.076 Uiso 1 calc . . GR .
H14C H 0.6790 0.9065 0.9705 0.076 Uiso 1 calc . . GR .
C15 C 0.8958(14) 0.7040(13) 0.8847(10) 0.050(3) Uani 1 d . . . U
H15A H 0.8642 0.6343 0.9496 0.075 Uiso 1 calc . . GR .
H15B H 0.9873 0.7245 0.9081 0.075 Uiso 1 calc . . GR .
H15C H 0.9368 0.6576 0.8276 0.075 Uiso 1 calc . . GR .


_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 3.9938(9) 2_676 ?
Dy1 Cl1 2.726(2) . ?
Dy1 O1 2.164(5) . ?
Dy1 O2 2.351(5) . ?
Dy1 O2 2.361(6) 2_676 ?
Dy1 O3 2.403(5) 2_576 ?
Dy1 O4 2.349(6) . ?
Dy1 N1 2.500(7) . ?
Dy1 N3 2.602(6) 2_676 ?
Br1 C4 1.892(9) . ?
O1 C1 1.300(10) . ?
O2 Dy1 2.361(6) 2_676 ?
O2 C8 1.304(10) . ?
O3 Dy1 2.403(5) 2_576 ?
O3 N4 1.319(8) . ?
O4 C13 1.234(10) . ?
N1 N2 1.424(8) . ?
N1 C7 1.296(11) . ?
N2 C8 1.298(10) . ?
N4 C10 1.358(10) . ?
N4 C11 1.326(11) . ?
N3 Dy1 2.602(6) 2_676 ?
N3 C9 1.359(10) . ?
N3 C12 1.343(9) . ?
N5 C13 1.327(11) . ?
N5 C14 1.431(12) . ?
N5 C15 1.418(12) . ?
C1 C2 1.407(11) . ?
C1 C6 1.417(12) . ?
C2 H2 0.9500 . ?
C2 C3 1.368(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.410(12) . ?
C4 C5 1.363(11) . ?
C5 H5 0.9500 . ?
C5 C6 1.413(12) . ?
C6 C7 1.456(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.495(10) . ?
C9 C10 1.352(11) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.384(11) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 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
Cl1 Dy1 Dy1 101.15(5) . 2_676 ?
O1 Dy1 Dy1 158.97(14) . 2_676 ?
O1 Dy1 Cl1 98.89(15) . . ?
O1 Dy1 O2 148.2(2) . 2_676 ?
O1 Dy1 O2 137.0(2) . . ?
O1 Dy1 O3 92.3(2) . 2_576 ?
O1 Dy1 O4 80.0(2) . . ?
O1 Dy1 N1 74.0(2) . . ?
O1 Dy1 N3 86.8(2) . 2_676 ?
O2 Dy1 Dy1 31.98(13) 2_676 2_676 ?
O2 Dy1 Dy1 32.14(14) . 2_676 ?
O2 Dy1 Cl1 81.99(14) 2_676 . ?
O2 Dy1 Cl1 117.94(15) . . ?
O2 Dy1 O2 64.1(2) . 2_676 ?
O2 Dy1 O3 81.57(19) . 2_576 ?
O2 Dy1 O3 117.2(2) 2_676 2_576 ?
O2 Dy1 N1 63.4(2) . . ?
O2 Dy1 N1 123.4(2) 2_676 . ?
O2 Dy1 N3 124.7(2) . 2_676 ?
O2 Dy1 N3 63.41(19) 2_676 2_676 ?
O3 Dy1 Dy1 100.59(13) 2_576 2_676 ?
O3 Dy1 Cl1 69.58(14) 2_576 . ?
O3 Dy1 N1 74.0(2) 2_576 . ?
O3 Dy1 N3 139.1(2) 2_576 2_676 ?
O4 Dy1 Dy1 80.45(14) . 2_676 ?
O4 Dy1 Cl1 140.91(15) . . ?
O4 Dy1 O2 79.8(2) . 2_676 ?
O4 Dy1 O2 84.0(2) . . ?
O4 Dy1 O3 149.18(19) . 2_576 ?
O4 Dy1 N1 75.2(2) . . ?
O4 Dy1 N3 70.8(2) . 2_676 ?
N1 Dy1 Dy1 93.57(15) . 2_676 ?
N1 Dy1 Cl1 142.55(17) . . ?
N1 Dy1 N3 143.3(2) . 2_676 ?
N3 Dy1 Dy1 94.02(14) 2_676 2_676 ?
N3 Dy1 Cl1 70.17(15) 2_676 . ?
C1 O1 Dy1 136.4(5) . . ?
Dy1 O2 Dy1 115.9(2) . 2_676 ?
C8 O2 Dy1 119.1(5) . . ?
C8 O2 Dy1 124.9(5) . 2_676 ?
N4 O3 Dy1 132.8(4) . 2_576 ?
C13 O4 Dy1 138.1(6) . . ?
N2 N1 Dy1 117.8(5) . . ?
C7 N1 Dy1 129.3(6) . . ?
C7 N1 N2 112.8(7) . . ?
C8 N2 N1 109.1(7) . . ?
O3 N4 C10 119.5(7) . . ?
O3 N4 C11 121.2(7) . . ?
C11 N4 C10 119.3(7) . . ?
C9 N3 Dy1 115.6(5) . 2_676 ?
C12 N3 Dy1 126.2(5) . 2_676 ?
C12 N3 C9 117.4(7) . . ?
C13 N5 C14 122.2(8) . . ?
C13 N5 C15 119.2(8) . . ?
C15 N5 C14 118.5(8) . . ?
O1 C1 C2 120.0(7) . . ?
O1 C1 C6 123.2(8) . . ?
C2 C1 C6 116.7(8) . . ?
C1 C2 H2 118.9 . . ?
C3 C2 C1 122.1(8) . . ?
C3 C2 H2 118.9 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.9(8) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 Br1 119.9(6) . . ?
C5 C4 Br1 121.6(7) . . ?
C5 C4 C3 118.4(9) . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.5(8) . . ?
C6 C5 H5 119.2 . . ?
C1 C6 C7 124.2(8) . . ?
C5 C6 C1 120.2(8) . . ?
C5 C6 C7 115.5(7) . . ?
N1 C7 C6 123.9(8) . . ?
N1 C7 H7 118.1 . . ?
C6 C7 H7 118.1 . . ?
O2 C8 C9 115.6(7) . . ?
N2 C8 O2 126.2(7) . . ?
N2 C8 C9 118.2(7) . . ?
N3 C9 C8 114.2(7) . . ?
C10 C9 N3 122.1(7) . . ?
C10 C9 C8 123.3(8) . . ?
N4 C10 H10 120.2 . . ?
C9 C10 N4 119.7(8) . . ?
C9 C10 H10 120.2 . . ?
N4 C11 H11 119.7 . . ?
N4 C11 C12 120.7(8) . . ?
C12 C11 H11 119.7 . . ?
N3 C12 C11 120.8(8) . . ?
N3 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
O4 C13 N5 125.7(9) . . ?
O4 C13 H13 117.2 . . ?
N5 C13 H13 117.2 . . ?
N5 C14 H14A 109.5 . . ?
N5 C14 H14B 109.5 . . ?
N5 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N5 C15 H15A 109.5 . . ?
N5 C15 H15B 109.5 . . ?
N5 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?

_olex2_date_sample_data_collection 2017-05-24
_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 1.330
_oxdiff_exptl_absorpt_empirical_full_min 0.643
