# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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_20161116l
_database_code_depnum_ccdc_archive 'CCDC 1869590'
_audit_update_record             
;
2018-09-25 deposited with the CCDC.
2019-01-29 downloaded from the CCDC.
;
_audit_creation_date             2018-09-25
_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         'C13 H12 Br Cl Dy N4 O4'
_chemical_formula_sum            'C13 H12 Br Cl Dy N4 O4'
_chemical_formula_weight         566.13
_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'
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                   6.9739(6)
_cell_length_b                   9.0675(7)
_cell_length_c                   13.0622(9)
_cell_angle_alpha                99.133(6)
_cell_angle_beta                 92.117(6)
_cell_angle_gamma                104.301(7)
_cell_volume                     787.75(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1394
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      24.8440
_cell_measurement_theta_min      3.5180
_exptl_absorpt_coefficient_mu    7.475
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.32a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    2.387
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_av_unetI/netI     0.1211
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5233
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.30
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector_area_resol_mean 5.3127
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.953
_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  94.00   1.00    1.50    --   23.13  57.00   0.00  112
  2  ω     99.00 125.00   1.00    1.50    --   23.13 178.00   0.00   26
  3  ω    -14.00 107.00   1.00    1.50    --   23.13  57.00 120.00  121
  4  ω    -13.00 103.00   1.00    1.50    --   23.13  77.00-150.00  116
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2654
_reflns_number_total             3429
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_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         2.226
_refine_diff_density_min         -1.753
_refine_diff_density_rms         0.313
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         3429
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0527
_refine_ls_restrained_S_all      0.961
_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)+(0.0134P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0887
_refine_ls_wR_factor_ref         0.0978
_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, H4 of O4, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H11 of O4
2. Uiso/Uaniso restraints and constraints
Uanis(C4) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C9) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(N1) \\sim Ueq, Uanis(N4) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O4) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N2) \\sim Ueq, Uanis(N3) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C8) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(C12) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Aromatic/amide H refined with riding coordinates:
 N2(H2), C12(H12), C7(H7), C3(H3), C2(H2A), C10(H10), C5(H5), O4(H4)
3.b Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C)
;
_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 0.25201(6) 0.07472(5) 0.59165(3) 0.00766(12) Uani 1 d . . . .
Br1 Br 0.79707(13) 0.84218(10) 0.96854(7) 0.0170(2) Uani 1 d . . . .
Cl1 Cl 0.5222(3) 0.1448(2) 0.44126(17) 0.0162(5) Uani 1 d . . . .
O1 O 0.4499(8) 0.2026(6) 0.7247(4) 0.0133(14) Uani 1 d . . . .
O2 O 0.0358(8) 0.1251(6) 0.4669(4) 0.0123(14) Uani 1 d . . . .
O3 O -0.0967(8) 0.5461(6) 0.1848(5) 0.0131(14) Uani 1 d . . . .
N3 N -0.1506(9) 0.1389(8) 0.2942(5) 0.0069(15) Uani 1 d . . . U
N1 N 0.2978(10) 0.3505(8) 0.5796(5) 0.0087(16) Uani 1 d . . . U
N2 N 0.2017(9) 0.3833(8) 0.4906(5) 0.0083(15) Uani 1 d . . . U
H2 H 0.2273 0.4746 0.4715 0.010 Uiso 1 calc . . R .
C8 C 0.0737(11) 0.2634(9) 0.4419(6) 0.0062(17) Uani 1 d . . . U
N4 N -0.1073(10) 0.4179(8) 0.2186(5) 0.0097(16) Uani 1 d . . . U
C13 C -0.1310(13) 0.0834(11) 0.7559(7) 0.019(2) Uani 1 d . . . .
H13A H -0.1789 -0.0244 0.7210 0.028 Uiso 1 calc . . GR .
H13B H -0.2413 0.1327 0.7588 0.028 Uiso 1 calc . . GR .
H13C H -0.0767 0.0866 0.8267 0.028 Uiso 1 calc . . GR .
C4 C 0.6947(12) 0.6400(10) 0.8889(6) 0.0082(18) Uani 1 d . . . U
C9 C -0.0343(12) 0.2754(9) 0.3438(6) 0.0075(18) Uani 1 d . . . U
C12 C -0.2400(12) 0.1477(10) 0.2034(6) 0.0094(19) Uani 1 d . . . U
H12 H -0.3232 0.0552 0.1644 0.011 Uiso 1 calc . . R .
C7 C 0.4178(11) 0.4746(9) 0.6339(6) 0.0075(18) Uani 1 d . . . .
H7 H 0.4365 0.5686 0.6077 0.009 Uiso 1 calc . . R .
C3 C 0.7016(12) 0.5135(10) 0.9337(7) 0.012(2) Uani 1 d . . . .
H3 H 0.7603 0.5259 1.0023 0.014 Uiso 1 calc . . R .
C1 C 0.5272(12) 0.3444(10) 0.7754(7) 0.0116(19) Uani 1 d . . . .
C2 C 0.6202(12) 0.3665(10) 0.8755(7) 0.013(2) Uani 1 d . . . U
H2A H 0.6281 0.2786 0.9048 0.015 Uiso 1 calc . . R .
C11 C -0.2196(13) 0.2820(11) 0.1628(7) 0.013(2) Uani 1 d . . . .
C6 C 0.5233(11) 0.4769(9) 0.7313(6) 0.0066(18) Uani 1 d . . . U
C10 C -0.0133(12) 0.4130(10) 0.3111(7) 0.0106(19) Uani 1 d . . . .
H10 H 0.0662 0.5052 0.3523 0.013 Uiso 1 calc . . R .
C5 C 0.6099(12) 0.6244(10) 0.7903(7) 0.014(2) Uani 1 d . . . U
H5 H 0.6094 0.7139 0.7612 0.016 Uiso 1 calc . . R .
O4 O 0.0190(8) 0.1630(7) 0.7000(4) 0.0160(14) Uani 1 d . . . U
H4 H 0.0291 0.2706 0.7065 0.019 Uiso 1 calc . . R .
H11 H -0.264(12) 0.299(10) 0.099(7) 0.024 Uiso 1 d . . R .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.9899(9) 2_556 ?
Dy1 Cl1 2.809(2) . ?
Dy1 Cl1 2.821(2) 2_656 ?
Dy1 O1 2.159(5) . ?
Dy1 O2 2.352(6) . ?
Dy1 O2 2.355(5) 2_556 ?
Dy1 N3 2.606(7) 2_556 ?
Dy1 N1 2.473(7) . ?
Dy1 O4 2.395(6) . ?
Br1 C4 1.909(8) . ?
Cl1 Dy1 2.821(2) 2_656 ?
O1 C1 1.320(9) . ?
O2 Dy1 2.355(5) 2_556 ?
O2 C8 1.312(10) . ?
O3 N4 1.294(9) . ?
N3 Dy1 2.606(7) 2_556 ?
N3 C9 1.348(9) . ?
N3 C12 1.342(10) . ?
N1 N2 1.429(9) . ?
N1 C7 1.307(9) . ?
N2 H2 0.8800 . ?
N2 C8 1.282(9) . ?
C8 C9 1.495(11) . ?
N4 C11 1.364(10) . ?
N4 C10 1.365(10) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 O4 1.414(10) . ?
C4 C3 1.378(12) . ?
C4 C5 1.369(11) . ?
C9 C10 1.358(12) . ?
C12 H12 0.9500 . ?
C12 C11 1.382(12) . ?
C7 H7 0.9500 . ?
C7 C6 1.440(11) . ?
C3 H3 0.9500 . ?
C3 C2 1.396(11) . ?
C1 C2 1.400(11) . ?
C1 C6 1.418(12) . ?
C2 H2A 0.9500 . ?
C11 H11 0.93(9) . ?
C6 C5 1.409(11) . ?
C10 H10 0.9500 . ?
C5 H5 0.9500 . ?
O4 H4 0.9500 . ?

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 109.60(5) 2_656 2_556 ?
Cl1 Dy1 Dy1 99.59(5) . 2_556 ?
Cl1 Dy1 Cl1 69.37(7) . 2_656 ?
O1 Dy1 Dy1 157.38(15) . 2_556 ?
O1 Dy1 Cl1 96.32(16) . . ?
O1 Dy1 Cl1 90.99(16) . 2_656 ?
O1 Dy1 O2 137.6(2) . . ?
O1 Dy1 O2 145.7(2) . 2_556 ?
O1 Dy1 N3 85.3(2) . 2_556 ?
O1 Dy1 N1 74.2(2) . . ?
O1 Dy1 O4 80.1(2) . . ?
O2 Dy1 Dy1 32.02(14) 2_556 2_556 ?
O2 Dy1 Dy1 32.08(14) . 2_556 ?
O2 Dy1 Cl1 115.53(15) 2_556 . ?
O2 Dy1 Cl1 81.43(15) . . ?
O2 Dy1 Cl1 126.19(14) . 2_656 ?
O2 Dy1 Cl1 88.78(14) 2_556 2_656 ?
O2 Dy1 O2 64.1(2) . 2_556 ?
O2 Dy1 N3 62.9(2) 2_556 2_556 ?
O2 Dy1 N3 124.3(2) . 2_556 ?
O2 Dy1 N1 64.7(2) . . ?
O2 Dy1 N1 125.9(2) 2_556 . ?
O2 Dy1 O4 79.0(2) . . ?
O2 Dy1 O4 80.20(19) 2_556 . ?
N3 Dy1 Dy1 93.65(14) 2_556 2_556 ?
N3 Dy1 Cl1 68.04(15) 2_556 2_656 ?
N3 Dy1 Cl1 137.40(15) 2_556 . ?
N1 Dy1 Dy1 95.43(15) . 2_556 ?
N1 Dy1 Cl1 136.84(16) . 2_656 ?
N1 Dy1 Cl1 72.26(16) . . ?
N1 Dy1 N3 146.6(2) . 2_556 ?
O4 Dy1 Dy1 77.68(14) . 2_556 ?
O4 Dy1 Cl1 145.71(15) . . ?
O4 Dy1 Cl1 144.19(16) . 2_656 ?
O4 Dy1 N3 76.7(2) . 2_556 ?
O4 Dy1 N1 74.0(2) . . ?
Dy1 Cl1 Dy1 110.63(7) . 2_656 ?
C1 O1 Dy1 142.1(6) . . ?
Dy1 O2 Dy1 115.9(2) . 2_556 ?
C8 O2 Dy1 125.0(5) . 2_556 ?
C8 O2 Dy1 118.9(5) . . ?
C9 N3 Dy1 115.7(5) . 2_556 ?
C12 N3 Dy1 127.8(5) . 2_556 ?
C12 N3 C9 113.6(7) . . ?
N2 N1 Dy1 116.6(4) . . ?
C7 N1 Dy1 130.7(6) . . ?
C7 N1 N2 112.0(7) . . ?
N1 N2 H2 124.2 . . ?
C8 N2 N1 111.6(7) . . ?
C8 N2 H2 124.2 . . ?
O2 C8 C9 115.6(7) . . ?
N2 C8 O2 125.6(8) . . ?
N2 C8 C9 118.7(8) . . ?
O3 N4 C11 120.0(7) . . ?
O3 N4 C10 122.3(7) . . ?
C11 N4 C10 117.7(8) . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O4 C13 H13A 109.5 . . ?
O4 C13 H13B 109.5 . . ?
O4 C13 H13C 109.5 . . ?
C3 C4 Br1 119.1(6) . . ?
C5 C4 Br1 119.2(7) . . ?
C5 C4 C3 121.7(8) . . ?
N3 C9 C8 113.4(7) . . ?
N3 C9 C10 125.2(8) . . ?
C10 C9 C8 121.4(7) . . ?
N3 C12 H12 117.7 . . ?
N3 C12 C11 124.6(8) . . ?
C11 C12 H12 117.7 . . ?
N1 C7 H7 118.1 . . ?
N1 C7 C6 123.7(8) . . ?
C6 C7 H7 118.1 . . ?
C4 C3 H3 120.9 . . ?
C4 C3 C2 118.3(8) . . ?
C2 C3 H3 120.9 . . ?
O1 C1 C2 119.5(8) . . ?
O1 C1 C6 122.3(8) . . ?
C2 C1 C6 118.2(8) . . ?
C3 C2 C1 122.2(9) . . ?
C3 C2 H2A 118.9 . . ?
C1 C2 H2A 118.9 . . ?
N4 C11 C12 119.3(8) . . ?
N4 C11 H11 109(6) . . ?
C12 C11 H11 131(6) . . ?
C1 C6 C7 124.9(7) . . ?
C5 C6 C7 115.8(8) . . ?
C5 C6 C1 118.9(8) . . ?
N4 C10 H10 120.2 . . ?
C9 C10 N4 119.5(7) . . ?
C9 C10 H10 120.2 . . ?
C4 C5 C6 120.7(8) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
Dy1 O4 H4 114.3 . . ?
C13 O4 Dy1 131.4(5) . . ?
C13 O4 H4 114.3 . . ?

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 Dy1 Cl1 Dy1 -107.46(7) 2_556 . . 2_656 ?
Dy1 Dy1 O1 C1 -57.2(11) 2_556 . . . ?
Dy1 Dy1 O2 C8 174.4(7) 2_556 . . . ?
Dy1 Dy1 N1 N2 -23.1(5) 2_556 . . . ?
Dy1 Dy1 N1 C7 167.4(7) 2_556 . . . ?
Dy1 Dy1 O4 C13 75.8(7) 2_556 . . . ?
Dy1 O1 C1 C2 165.6(6) . . . . ?
Dy1 O1 C1 C6 -15.7(14) . . . . ?
Dy1 O2 C8 N2 162.3(6) 2_556 . . . ?
Dy1 O2 C8 N2 -11.6(11) . . . . ?
Dy1 O2 C8 C9 -22.1(10) 2_556 . . . ?
Dy1 O2 C8 C9 164.0(5) . . . . ?
Dy1 N3 C9 C8 20.8(8) 2_556 . . . ?
Dy1 N3 C9 C10 -158.9(7) 2_556 . . . ?
Dy1 N3 C12 C11 159.2(6) 2_556 . . . ?
Dy1 N1 N2 C8 13.3(8) . . . . ?
Dy1 N1 C7 C6 -14.6(11) . . . . ?
Br1 C4 C3 C2 177.9(6) . . . . ?
Br1 C4 C5 C6 -176.6(6) . . . . ?
Cl1 Dy1 Cl1 Dy1 0.0 2_656 . . 2_656 ?
Cl1 Dy1 O1 C1 146.7(9) 2_656 . . . ?
Cl1 Dy1 O1 C1 77.3(9) . . . . ?
Cl1 Dy1 O2 Dy1 67.4(3) 2_656 . . 2_556 ?
Cl1 Dy1 O2 Dy1 123.9(2) . . . 2_556 ?
Cl1 Dy1 O2 C8 -118.2(5) 2_656 . . . ?
Cl1 Dy1 O2 C8 -61.7(6) . . . . ?
Cl1 Dy1 N1 N2 75.2(5) . . . . ?
Cl1 Dy1 N1 N2 103.3(5) 2_656 . . . ?
Cl1 Dy1 N1 C7 -94.3(7) . . . . ?
Cl1 Dy1 N1 C7 -66.2(8) 2_656 . . . ?
Cl1 Dy1 O4 C13 164.7(6) . . . . ?
Cl1 Dy1 O4 C13 -30.7(8) 2_656 . . . ?
O1 Dy1 Cl1 Dy1 88.68(17) . . . 2_656 ?
O1 Dy1 O2 Dy1 -146.1(3) . . . 2_556 ?
O1 Dy1 O2 C8 28.3(7) . . . . ?
O1 Dy1 N1 N2 177.4(5) . . . . ?
O1 Dy1 N1 C7 7.9(7) . . . . ?
O1 Dy1 O4 C13 -108.5(7) . . . . ?
O1 C1 C2 C3 -178.9(7) . . . . ?
O1 C1 C6 C7 7.5(13) . . . . ?
O1 C1 C6 C5 -179.7(7) . . . . ?
O2 Dy1 Cl1 Dy1 -78.17(17) 2_556 . . 2_656 ?
O2 Dy1 Cl1 Dy1 -134.01(15) . . . 2_656 ?
O2 Dy1 O1 C1 -124.0(8) 2_556 . . . ?
O2 Dy1 O1 C1 -6.9(10) . . . . ?
O2 Dy1 O2 Dy1 0.0 2_556 . . 2_556 ?
O2 Dy1 O2 C8 174.4(7) 2_556 . . . ?
O2 Dy1 N1 N2 -13.5(4) . . . . ?
O2 Dy1 N1 N2 -33.9(6) 2_556 . . . ?
O2 Dy1 N1 C7 156.7(6) 2_556 . . . ?
O2 Dy1 N1 C7 177.0(8) . . . . ?
O2 Dy1 O4 C13 108.5(7) . . . . ?
O2 Dy1 O4 C13 43.2(7) 2_556 . . . ?
O2 C8 C9 N3 -2.0(10) . . . . ?
O2 C8 C9 C10 177.7(8) . . . . ?
O3 N4 C11 C12 -175.6(8) . . . . ?
O3 N4 C10 C9 178.2(8) . . . . ?
N3 Dy1 Cl1 Dy1 -1.3(2) 2_556 . . 2_656 ?
N3 Dy1 O1 C1 -145.5(9) 2_556 . . . ?
N3 Dy1 O2 Dy1 -19.1(4) 2_556 . . 2_556 ?
N3 Dy1 O2 C8 155.3(5) 2_556 . . . ?
N3 Dy1 N1 N2 -128.2(5) 2_556 . . . ?
N3 Dy1 N1 C7 62.3(8) 2_556 . . . ?
N3 Dy1 O4 C13 -21.1(7) 2_556 . . . ?
N3 C9 C10 N4 -3.4(13) . . . . ?
N3 C12 C11 N4 -2.4(13) . . . . ?
N1 Dy1 Cl1 Dy1 159.87(18) . . . 2_656 ?
N1 Dy1 O1 C1 7.8(9) . . . . ?
N1 Dy1 O2 Dy1 -161.7(3) . . . 2_556 ?
N1 Dy1 O2 C8 12.7(5) . . . . ?
N1 Dy1 O4 C13 175.2(7) . . . . ?
N1 N2 C8 O2 -1.7(11) . . . . ?
N1 N2 C8 C9 -177.2(6) . . . . ?
N1 C7 C6 C1 6.7(13) . . . . ?
N1 C7 C6 C5 -166.3(8) . . . . ?
N2 N1 C7 C6 175.6(7) . . . . ?
N2 C8 C9 N3 174.0(7) . . . . ?
N2 C8 C9 C10 -6.3(12) . . . . ?
C8 C9 C10 N4 177.0(7) . . . . ?
C4 C3 C2 C1 -2.0(12) . . . . ?
C9 N3 C12 C11 -0.6(12) . . . . ?
C12 N3 C9 C8 -176.8(7) . . . . ?
C12 N3 C9 C10 3.5(12) . . . . ?
C7 N1 N2 C8 -175.3(7) . . . . ?
C7 C6 C5 C4 172.8(7) . . . . ?
C3 C4 C5 C6 1.0(13) . . . . ?
C1 C6 C5 C4 -0.7(12) . . . . ?
C2 C1 C6 C7 -173.8(7) . . . . ?
C2 C1 C6 C5 -1.0(12) . . . . ?
C11 N4 C10 C9 0.1(12) . . . . ?
C6 C1 C2 C3 2.3(12) . . . . ?
C10 N4 C11 C12 2.6(12) . . . . ?
C5 C4 C3 C2 0.3(12) . . . . ?
O4 Dy1 Cl1 Dy1 170.4(2) . . . 2_656 ?
O4 Dy1 O1 C1 -68.2(9) . . . . ?
O4 Dy1 O2 Dy1 -84.4(3) . . . 2_556 ?
O4 Dy1 O2 C8 90.0(6) . . . . ?
O4 Dy1 N1 N2 -98.7(5) . . . . ?
O4 Dy1 N1 C7 91.9(7) . . . . ?


_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
;
