# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_1a
_database_code_depnum_ccdc_archive 'CCDC 1862367'
_audit_update_record             
;
2018-08-16 deposited with the CCDC.
2018-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H26 Cl2 Dy2 N8 O8'
_chemical_formula_weight         998.47

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.292(4)
_cell_length_b                   9.345(3)
_cell_length_c                   21.486(9)
_cell_angle_alpha                80.320(14)
_cell_angle_beta                 80.796(12)
_cell_angle_gamma                65.327(11)
_cell_volume                     1662.8(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4220
_cell_measurement_theta_min      2.6986
_cell_measurement_theta_max      27.3852

_exptl_crystal_description       Prism
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.994
_exptl_crystal_F_000             960
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1500
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.1000
_exptl_absorpt_coefficient_mu    4.680
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8118
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            15155
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.518
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_full        25.009
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5825
_reflns_number_gt                5017
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0528P)²+5.6126P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5825
_refine_ls_number_parameters     437
_refine_ls_number_restraints     1182
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0509
_refine_ls_wR_factor_ref         0.1274
_refine_ls_wR_factor_gt          0.1208
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.35510(4) 0.70554(5) 0.46404(2) 0.03486(15) Uani 1 1 d . U . . .
Dy2 Dy 0.61015(5) 0.34030(5) 0.06658(2) 0.03305(15) Uani 1 1 d . U . . .
Cl1 Cl 0.3688(4) 0.8483(3) 0.55528(16) 0.0703(9) Uani 1 1 d . U . . .
Cl2 Cl 0.4195(4) 0.5078(4) 0.15398(14) 0.0670(8) Uani 1 1 d . U . . .
N1 N 0.9107(8) 0.3117(8) 0.4862(4) 0.0382(17) Uani 1 1 d . U . . .
N2 N 1.1820(8) 0.3634(9) 0.4298(4) 0.0412(18) Uani 1 1 d . U . . .
N3 N 0.7144(9) 0.6859(9) 0.3940(4) 0.0404(17) Uani 1 1 d . U . . .
N4 N 0.5503(9) 0.7825(9) 0.3899(4) 0.0406(17) Uani 1 1 d . U . . .
N5 N -0.0290(9) 0.4112(10) -0.0835(4) 0.0419(17) Uani 1 1 d . U . . .
N6 N 0.1842(8) 0.5510(8) -0.0790(3) 0.0345(15) Uani 1 1 d . U . . .
N7 N 0.3566(8) 0.2001(8) 0.0290(4) 0.0376(16) Uani 1 1 d . U . . .
N8 N 0.4832(8) 0.1554(8) 0.0674(4) 0.0356(15) Uani 1 1 d . U . . .
O1 O 0.6168(7) 0.5271(7) 0.4680(3) 0.0393(14) Uani 1 1 d . U . . .
O2 O 0.2112(8) 0.9081(7) 0.4037(3) 0.0493(16) Uani 1 1 d . U . . .
O3 O -0.0470(14) 1.1196(14) 0.3493(6) 0.133(3) Uani 1 1 d D U . . .
O4 O 0.4114(7) 0.4226(7) -0.0011(3) 0.0352(13) Uani 1 1 d . U . . .
O5 O 0.7518(8) 0.1266(7) 0.1217(3) 0.0459(15) Uani 1 1 d . U . . .
O6 O 0.9736(10) -0.0391(10) 0.1991(4) 0.070(2) Uani 1 1 d . U . . .
O7 O 0.3540(8) 0.5437(8) 0.3888(3) 0.0478(16) Uani 1 1 d . U . . .
H7 H 0.3911 0.5895 0.4067 0.072 Uiso 1 1 d R U . . .
O8 O 0.7888(8) 0.2404(7) -0.0239(3) 0.0452(15) Uani 1 1 d . U . . .
H8A H 0.8171 0.3022 -0.0492 0.068 Uiso 1 1 d R U . . .
C1 C 1.0568(10) 0.2073(11) 0.4983(5) 0.040(2) Uani 1 1 d . U . . .
H1 H 1.0690 0.1161 0.5261 0.048 Uiso 1 1 calc R U . . .
C2 C 1.1933(11) 0.2332(11) 0.4696(5) 0.043(2) Uani 1 1 d . U . . .
H2 H 1.2935 0.1579 0.4787 0.052 Uiso 1 1 calc R U . . .
C3 C 1.0362(10) 0.4664(11) 0.4165(4) 0.0381(19) Uani 1 1 d . U . . .
H3 H 1.0246 0.5557 0.3876 0.046 Uiso 1 1 calc R U . . .
C4 C 0.8990(10) 0.4422(10) 0.4456(4) 0.0355(18) Uani 1 1 d . U . . .
C5 C 0.7346(10) 0.5593(10) 0.4338(4) 0.0331(18) Uani 1 1 d . U . . .
C6 C 0.5254(12) 0.9103(10) 0.3507(5) 0.044(2) Uani 1 1 d . U . . .
H6 H 0.6148 0.9269 0.3310 0.053 Uiso 1 1 calc R U . . .
C7 C 0.3715(12) 1.0300(11) 0.3345(5) 0.047(2) Uani 1 1 d . U . . .
C8 C 0.3726(14) 1.1590(12) 0.2888(5) 0.055(2) Uani 1 1 d . U . . .
H8 H 0.4695 1.1639 0.2724 0.066 Uiso 1 1 calc R U . . .
C9 C 0.2361(14) 1.2753(13) 0.2686(6) 0.059(3) Uani 1 1 d . U . . .
H9 H 0.2402 1.3583 0.2387 0.071 Uiso 1 1 calc R U . . .
C10 C 0.0943(14) 1.2698(13) 0.2922(6) 0.063(3) Uani 1 1 d D U . . .
H10 H -0.0004 1.3494 0.2794 0.076 Uiso 1 1 calc R U . . .
C11 C 0.0937(15) 1.1433(13) 0.3356(6) 0.081(3) Uani 1 1 d D U . . .
C12 C 0.2232(13) 1.0215(11) 0.3593(5) 0.049(2) Uani 1 1 d . U . . .
C13 C -0.1940(15) 1.216(2) 0.3141(8) 0.132(4) Uani 1 1 d D U . . .
H13A H -0.2231 1.3267 0.3153 0.198 Uiso 1 1 calc R U . . .
H13B H -0.2803 1.1880 0.3340 0.198 Uiso 1 1 calc R U . . .
H13C H -0.1710 1.1931 0.2708 0.198 Uiso 1 1 calc R U . . .
C14 C 0.0972(10) 0.3393(11) -0.0498(4) 0.0368(18) Uani 1 1 d . U . . .
H14 H 0.1149 0.2395 -0.0280 0.044 Uiso 1 1 calc R U . . .
C15 C -0.0442(11) 0.5515(12) -0.1167(5) 0.043(2) Uani 1 1 d . U . . .
H15 H -0.1281 0.6039 -0.1418 0.052 Uiso 1 1 calc R U . . .
C16 C 0.0617(11) 0.6211(11) -0.1147(5) 0.042(2) Uani 1 1 d . U . . .
H16 H 0.0470 0.7180 -0.1386 0.051 Uiso 1 1 calc R U . . .
C17 C 0.2036(10) 0.4079(10) -0.0459(4) 0.0325(17) Uani 1 1 d . U . . .
C18 C 0.3315(10) 0.3371(10) -0.0038(4) 0.0303(17) Uani 1 1 d . U . . .
C19 C 0.5101(11) 0.0198(10) 0.1015(5) 0.0403(19) Uani 1 1 d . U . . .
H19 H 0.4438 -0.0297 0.0979 0.048 Uiso 1 1 calc R U . . .
C20 C 0.6312(11) -0.0623(10) 0.1442(5) 0.0408(19) Uani 1 1 d . U . . .
C21 C 0.6340(12) -0.2091(11) 0.1786(5) 0.047(2) Uani 1 1 d . U . . .
H21 H 0.5587 -0.2461 0.1729 0.057 Uiso 1 1 calc R U . . .
C22 C 0.7471(13) -0.2949(12) 0.2195(5) 0.055(3) Uani 1 1 d . U . . .
H22 H 0.7466 -0.3891 0.2417 0.066 Uiso 1 1 calc R U . . .
C23 C 0.8631(14) -0.2446(12) 0.2289(5) 0.057(3) Uani 1 1 d . U . . .
H23 H 0.9392 -0.3040 0.2568 0.068 Uiso 1 1 calc R U . . .
C24 C 0.8621(12) -0.1014(12) 0.1948(5) 0.048(2) Uani 1 1 d . U . . .
C25 C 0.7471(11) -0.0085(10) 0.1528(5) 0.040(2) Uani 1 1 d . U . . .
C26 C 1.1046(18) -0.1286(17) 0.2364(8) 0.095(4) Uani 1 1 d . U . . .
H26A H 1.0647 -0.1530 0.2790 0.143 Uiso 1 1 calc R U . . .
H26B H 1.1657 -0.0675 0.2366 0.143 Uiso 1 1 calc R U . . .
H26C H 1.1709 -0.2252 0.2184 0.143 Uiso 1 1 calc R U . . .
C27 C 0.4266(19) 0.5299(18) 0.3249(7) 0.089(4) Uani 1 1 d . U . . .
H27A H 0.4222 0.6315 0.3050 0.133 Uiso 1 1 calc R U . . .
H27B H 0.3707 0.4934 0.3017 0.133 Uiso 1 1 calc R U . . .
H27C H 0.5357 0.4556 0.3250 0.133 Uiso 1 1 calc R U . . .
C28 C 0.8220(17) 0.1030(15) -0.0527(7) 0.078(4) Uani 1 1 d . U . . .
H28A H 0.7607 0.0469 -0.0293 0.116 Uiso 1 1 calc R U . . .
H28B H 0.9333 0.0358 -0.0527 0.116 Uiso 1 1 calc R U . . .
H28C H 0.7946 0.1331 -0.0956 0.116 Uiso 1 1 calc R U . . .


_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 O2 2.161(6) . ?
Dy1 O1 2.310(6) . ?
Dy1 O1 2.347(6) 2_666 ?
Dy1 O7 2.397(7) . ?
Dy1 N4 2.475(7) . ?
Dy1 N1 2.589(7) 2_666 ?
Dy1 Cl1 2.596(3) . ?
Dy1 Dy1 3.8852(13) 2_666 ?
Dy1 H7 1.6791 . ?
Dy2 O5 2.152(6) . ?
Dy2 O4 2.327(6) . ?
Dy2 O4 2.366(6) 2_665 ?
Dy2 O8 2.386(7) . ?
Dy2 N8 2.462(7) . ?
Dy2 N6 2.575(7) 2_665 ?
Dy2 Cl2 2.593(3) . ?
Dy2 Dy2 3.8968(14) 2_665 ?
N1 C1 1.336(11) . ?
N1 C4 1.350(11) . ?
N1 Dy1 2.589(7) 2_666 ?
N2 C3 1.337(11) . ?
N2 C2 1.340(12) . ?
N3 C5 1.301(11) . ?
N3 N4 1.420(10) . ?
N4 C6 1.297(11) . ?
N5 C14 1.342(12) . ?
N5 C15 1.346(12) . ?
N6 C16 1.342(11) . ?
N6 C17 1.360(11) . ?
N6 Dy2 2.575(7) 2_665 ?
N7 C18 1.300(11) . ?
N7 N8 1.422(10) . ?
N8 C19 1.299(11) . ?
O1 C5 1.330(10) . ?
O1 Dy1 2.347(6) 2_666 ?
O2 C12 1.331(12) . ?
O3 C11 1.393(9) . ?
O3 C13 1.524(9) . ?
O4 C18 1.311(9) . ?
O4 Dy2 2.366(6) 2_665 ?
O5 C25 1.340(11) . ?
O6 C24 1.405(13) . ?
O6 C26 1.434(15) . ?
O7 C27 1.431(15) . ?
O7 H7 0.8200 . ?
O8 C28 1.415(13) . ?
O8 H8A 0.8200 . ?
C1 C2 1.415(13) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 C4 1.416(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.493(11) . ?
C6 C7 1.453(13) . ?
C6 H6 0.9300 . ?
C7 C12 1.424(15) . ?
C7 C8 1.424(14) . ?
C8 C9 1.358(15) . ?
C8 H8 0.9300 . ?
C9 C10 1.353(16) . ?
C9 H9 0.9300 . ?
C10 C11 1.379(15) . ?
C10 H10 0.9300 . ?
C11 C12 1.364(15) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C17 1.403(12) . ?
C14 H14 0.9300 . ?
C15 C16 1.396(13) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.467(12) . ?
C19 C20 1.440(13) . ?
C19 H19 0.9300 . ?
C20 C25 1.410(13) . ?
C20 C21 1.437(12) . ?
C21 C22 1.371(14) . ?
C21 H21 0.9300 . ?
C22 C23 1.395(16) . ?
C22 H22 0.9300 . ?
C23 C24 1.410(14) . ?
C23 H23 0.9300 . ?
C24 C25 1.408(13) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 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
O2 Dy1 O1 139.6(2) . . ?
O2 Dy1 O1 149.4(2) . 2_666 ?
O1 Dy1 O1 66.9(2) . 2_666 ?
O2 Dy1 O7 87.2(3) . . ?
O1 Dy1 O7 83.4(2) . . ?
O1 Dy1 O7 80.6(2) 2_666 . ?
O2 Dy1 N4 75.5(3) . . ?
O1 Dy1 N4 65.1(2) . . ?
O1 Dy1 N4 131.8(2) 2_666 . ?
O7 Dy1 N4 89.4(2) . . ?
O2 Dy1 N1 85.8(2) . 2_666 ?
O1 Dy1 N1 132.1(2) . 2_666 ?
O1 Dy1 N1 65.4(2) 2_666 2_666 ?
O7 Dy1 N1 85.3(2) . 2_666 ?
N4 Dy1 N1 160.8(2) . 2_666 ?
O2 Dy1 Cl1 99.7(2) . . ?
O1 Dy1 Cl1 92.38(18) . . ?
O1 Dy1 Cl1 92.38(18) 2_666 . ?
O7 Dy1 Cl1 172.80(17) . . ?
N4 Dy1 Cl1 94.2(2) . . ?
N1 Dy1 Cl1 93.24(19) 2_666 . ?
O2 Dy1 Dy1 166.51(19) . 2_666 ?
O1 Dy1 Dy1 33.75(14) . 2_666 ?
O1 Dy1 Dy1 33.15(14) 2_666 2_666 ?
O7 Dy1 Dy1 80.41(16) . 2_666 ?
N4 Dy1 Dy1 98.76(17) . 2_666 ?
N1 Dy1 Dy1 98.48(16) 2_666 2_666 ?
Cl1 Dy1 Dy1 92.85(7) . 2_666 ?
O2 Dy1 H7 89.9 . . ?
O1 Dy1 H7 74.5 . . ?
O1 Dy1 H7 83.7 2_666 . ?
O7 Dy1 H7 11.3 . . ?
N4 Dy1 H7 79.3 . . ?
N1 Dy1 H7 96.5 2_666 . ?
Cl1 Dy1 H7 166.8 . . ?
Dy1 Dy1 H7 77.0 2_666 . ?
O5 Dy2 O4 138.3(2) . . ?
O5 Dy2 O4 149.6(2) . 2_665 ?
O4 Dy2 O4 67.7(2) . 2_665 ?
O5 Dy2 O8 87.5(2) . . ?
O4 Dy2 O8 85.2(2) . . ?
O4 Dy2 O8 78.4(2) 2_665 . ?
O5 Dy2 N8 74.9(2) . . ?
O4 Dy2 N8 64.4(2) . . ?
O4 Dy2 N8 131.8(2) 2_665 . ?
O8 Dy2 N8 91.8(2) . . ?
O5 Dy2 N6 86.9(2) . 2_665 ?
O4 Dy2 N6 132.4(2) . 2_665 ?
O4 Dy2 N6 64.8(2) 2_665 2_665 ?
O8 Dy2 N6 82.8(2) . 2_665 ?
N8 Dy2 N6 161.2(2) . 2_665 ?
O5 Dy2 Cl2 102.0(2) . . ?
O4 Dy2 Cl2 92.99(17) . . ?
O4 Dy2 Cl2 89.25(17) 2_665 . ?
O8 Dy2 Cl2 167.30(16) . . ?
N8 Dy2 Cl2 98.79(19) . . ?
N6 Dy2 Cl2 89.20(18) 2_665 . ?
O5 Dy2 Dy2 165.84(19) . 2_665 ?
O4 Dy2 Dy2 34.19(13) . 2_665 ?
O4 Dy2 Dy2 33.55(14) 2_665 2_665 ?
O8 Dy2 Dy2 80.12(16) . 2_665 ?
N8 Dy2 Dy2 98.45(17) . 2_665 ?
N6 Dy2 Dy2 98.30(16) 2_665 2_665 ?
Cl2 Dy2 Dy2 91.33(8) . 2_665 ?
C1 N1 C4 117.3(8) . . ?
C1 N1 Dy1 126.5(6) . 2_666 ?
C4 N1 Dy1 116.2(5) . 2_666 ?
C3 N2 C2 117.3(8) . . ?
C5 N3 N4 111.3(7) . . ?
C6 N4 N3 113.0(8) . . ?
C6 N4 Dy1 128.8(6) . . ?
N3 N4 Dy1 117.8(5) . . ?
C14 N5 C15 116.0(8) . . ?
C16 N6 C17 117.5(8) . . ?
C16 N6 Dy2 126.6(6) . 2_665 ?
C17 N6 Dy2 115.9(5) . 2_665 ?
C18 N7 N8 110.8(7) . . ?
C19 N8 N7 112.4(7) . . ?
C19 N8 Dy2 128.7(6) . . ?
N7 N8 Dy2 118.8(5) . . ?
C5 O1 Dy1 120.9(5) . . ?
C5 O1 Dy1 126.0(5) . 2_666 ?
Dy1 O1 Dy1 113.1(2) . 2_666 ?
C12 O2 Dy1 141.1(6) . . ?
C11 O3 C13 123.3(11) . . ?
C18 O4 Dy2 121.6(5) . . ?
C18 O4 Dy2 126.0(5) . 2_665 ?
Dy2 O4 Dy2 112.3(2) . 2_665 ?
C25 O5 Dy2 141.4(6) . . ?
C24 O6 C26 119.7(10) . . ?
C27 O7 Dy1 129.8(7) . . ?
C27 O7 H7 109.5 . . ?
Dy1 O7 H7 23.7 . . ?
C28 O8 Dy2 129.8(7) . . ?
C28 O8 H8A 109.4 . . ?
Dy2 O8 H8A 118.1 . . ?
N1 C1 C2 121.0(9) . . ?
N1 C1 H1 119.5 . . ?
C2 C1 H1 119.5 . . ?
N2 C2 C1 121.8(8) . . ?
N2 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
N2 C3 C4 121.3(8) . . ?
N2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
N1 C4 C3 121.3(8) . . ?
N1 C4 C5 116.5(7) . . ?
C3 C4 C5 122.3(8) . . ?
N3 C5 O1 124.4(8) . . ?
N3 C5 C4 119.8(8) . . ?
O1 C5 C4 115.7(7) . . ?
N4 C6 C7 126.3(9) . . ?
N4 C6 H6 116.9 . . ?
C7 C6 H6 116.9 . . ?
C12 C7 C8 119.1(9) . . ?
C12 C7 C6 124.1(9) . . ?
C8 C7 C6 116.7(9) . . ?
C9 C8 C7 121.9(11) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C10 C9 C8 119.7(11) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C11 118.4(11) . . ?
C9 C10 H10 120.8 . . ?
C11 C10 H10 120.8 . . ?
C12 C11 C10 126.6(12) . . ?
C12 C11 O3 114.5(11) . . ?
C10 C11 O3 118.0(12) . . ?
O2 C12 C11 122.6(10) . . ?
O2 C12 C7 123.0(9) . . ?
C11 C12 C7 114.4(10) . . ?
O3 C13 H13A 109.5 . . ?
O3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N5 C14 C17 123.0(8) . . ?
N5 C14 H14 118.5 . . ?
C17 C14 H14 118.5 . . ?
N5 C15 C16 122.2(9) . . ?
N5 C15 H15 118.9 . . ?
C16 C15 H15 118.9 . . ?
N6 C16 C15 121.4(9) . . ?
N6 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
N6 C17 C14 119.9(8) . . ?
N6 C17 C18 117.1(7) . . ?
C14 C17 C18 122.9(8) . . ?
N7 C18 O4 124.2(8) . . ?
N7 C18 C17 120.1(7) . . ?
O4 C18 C17 115.6(7) . . ?
N8 C19 C20 127.1(9) . . ?
N8 C19 H19 116.4 . . ?
C20 C19 H19 116.4 . . ?
C25 C20 C21 119.3(9) . . ?
C25 C20 C19 123.9(8) . . ?
C21 C20 C19 116.9(9) . . ?
C22 C21 C20 120.2(10) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 121.8(10) . . ?
C21 C22 H22 119.1 . . ?
C23 C22 H22 119.1 . . ?
C22 C23 C24 118.3(10) . . ?
C22 C23 H23 120.8 . . ?
C24 C23 H23 120.8 . . ?
O6 C24 C23 123.9(10) . . ?
O6 C24 C25 114.2(9) . . ?
C23 C24 C25 121.9(10) . . ?
O5 C25 C20 122.1(8) . . ?
O5 C25 C24 119.3(9) . . ?
C20 C25 C24 118.6(9) . . ?
O6 C26 H26A 109.5 . . ?
O6 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O6 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O7 C27 H27A 109.5 . . ?
O7 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O7 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O8 C28 H28A 109.5 . . ?
O8 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O8 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 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
C5 N3 N4 C6 179.8(8) . . . . ?
C5 N3 N4 Dy1 6.4(10) . . . . ?
C18 N7 N8 C19 179.2(8) . . . . ?
C18 N7 N8 Dy2 2.5(9) . . . . ?
C4 N1 C1 C2 0.0(14) . . . . ?
Dy1 N1 C1 C2 -177.6(7) 2_666 . . . ?
C3 N2 C2 C1 -2.0(14) . . . . ?
N1 C1 C2 N2 0.7(15) . . . . ?
C2 N2 C3 C4 2.7(14) . . . . ?
C1 N1 C4 C3 0.7(13) . . . . ?
Dy1 N1 C4 C3 178.6(7) 2_666 . . . ?
C1 N1 C4 C5 -178.6(8) . . . . ?
Dy1 N1 C4 C5 -0.7(10) 2_666 . . . ?
N2 C3 C4 N1 -2.2(14) . . . . ?
N2 C3 C4 C5 177.1(8) . . . . ?
N4 N3 C5 O1 -2.3(13) . . . . ?
N4 N3 C5 C4 -179.5(8) . . . . ?
Dy1 O1 C5 N3 -3.4(12) . . . . ?
Dy1 O1 C5 N3 176.2(7) 2_666 . . . ?
Dy1 O1 C5 C4 174.0(6) . . . . ?
Dy1 O1 C5 C4 -6.5(11) 2_666 . . . ?
N1 C4 C5 N3 -178.3(8) . . . . ?
C3 C4 C5 N3 2.5(14) . . . . ?
N1 C4 C5 O1 4.3(12) . . . . ?
C3 C4 C5 O1 -175.0(8) . . . . ?
N3 N4 C6 C7 177.9(9) . . . . ?
Dy1 N4 C6 C7 -9.5(15) . . . . ?
N4 C6 C7 C12 -1.2(18) . . . . ?
N4 C6 C7 C8 -178.4(10) . . . . ?
C12 C7 C8 C9 0.6(17) . . . . ?
C6 C7 C8 C9 177.9(10) . . . . ?
C7 C8 C9 C10 0.1(18) . . . . ?
C8 C9 C10 C11 -1.2(19) . . . . ?
C9 C10 C11 C12 2(2) . . . . ?
C9 C10 C11 O3 -166.4(13) . . . . ?
C13 O3 C11 C12 -163.2(14) . . . . ?
C13 O3 C11 C10 6(2) . . . . ?
Dy1 O2 C12 C11 -173.3(9) . . . . ?
Dy1 O2 C12 C7 3.9(17) . . . . ?
C10 C11 C12 O2 176.4(11) . . . . ?
O3 C11 C12 O2 -15.0(18) . . . . ?
C10 C11 C12 C7 -1.0(19) . . . . ?
O3 C11 C12 C7 167.5(11) . . . . ?
C8 C7 C12 O2 -177.6(9) . . . . ?
C6 C7 C12 O2 5.3(17) . . . . ?
C8 C7 C12 C11 -0.2(16) . . . . ?
C6 C7 C12 C11 -177.2(11) . . . . ?
C15 N5 C14 C17 3.3(13) . . . . ?
C14 N5 C15 C16 -2.0(14) . . . . ?
C17 N6 C16 C15 1.4(13) . . . . ?
Dy2 N6 C16 C15 -178.7(7) 2_665 . . . ?
N5 C15 C16 N6 -0.4(15) . . . . ?
C16 N6 C17 C14 -0.1(12) . . . . ?
Dy2 N6 C17 C14 -180.0(6) 2_665 . . . ?
C16 N6 C17 C18 -176.1(8) . . . . ?
Dy2 N6 C17 C18 4.0(10) 2_665 . . . ?
N5 C14 C17 N6 -2.4(14) . . . . ?
N5 C14 C17 C18 173.4(8) . . . . ?
N8 N7 C18 O4 -0.7(12) . . . . ?
N8 N7 C18 C17 -178.8(7) . . . . ?
Dy2 O4 C18 N7 -1.5(11) . . . . ?
Dy2 O4 C18 N7 173.5(6) 2_665 . . . ?
Dy2 O4 C18 C17 176.6(5) . . . . ?
Dy2 O4 C18 C17 -8.3(10) 2_665 . . . ?
N6 C17 C18 N7 -179.7(8) . . . . ?
C14 C17 C18 N7 4.3(13) . . . . ?
N6 C17 C18 O4 2.0(11) . . . . ?
C14 C17 C18 O4 -173.9(8) . . . . ?
N7 N8 C19 C20 178.4(9) . . . . ?
Dy2 N8 C19 C20 -5.3(14) . . . . ?
N8 C19 C20 C25 -3.6(16) . . . . ?
N8 C19 C20 C21 177.9(9) . . . . ?
C25 C20 C21 C22 0.6(15) . . . . ?
C19 C20 C21 C22 179.2(9) . . . . ?
C20 C21 C22 C23 -0.7(16) . . . . ?
C21 C22 C23 C24 0.0(16) . . . . ?
C26 O6 C24 C23 4.7(17) . . . . ?
C26 O6 C24 C25 -175.0(11) . . . . ?
C22 C23 C24 O6 -178.9(10) . . . . ?
C22 C23 C24 C25 0.7(16) . . . . ?
Dy2 O5 C25 C20 14.7(16) . . . . ?
Dy2 O5 C25 C24 -166.0(7) . . . . ?
C21 C20 C25 O5 179.3(9) . . . . ?
C19 C20 C25 O5 0.9(15) . . . . ?
C21 C20 C25 C24 0.0(14) . . . . ?
C19 C20 C25 C24 -178.4(9) . . . . ?
O6 C24 C25 O5 -0.4(14) . . . . ?
C23 C24 C25 O5 180.0(9) . . . . ?
O6 C24 C25 C20 178.9(9) . . . . ?
C23 C24 C25 C20 -0.7(15) . . . . ?

_refine_diff_density_max         1.589
_refine_diff_density_min         -1.805
_refine_diff_density_rms         0.157

####################################################################### 
# 
# 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_shelxl
_database_code_depnum_ccdc_archive 'CCDC 1862369'
_audit_update_record             
;
2018-08-16 deposited with the CCDC.
2018-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H14 Cl Dy N4 O4'
_chemical_formula_weight         500.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.159(9)
_cell_length_b                   9.343(11)
_cell_length_c                   11.151(13)
_cell_angle_alpha                88.62(5)
_cell_angle_beta                 73.41(4)
_cell_angle_gamma                67.12(3)
_cell_volume                     838.5(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2328
_cell_measurement_theta_min      2.5301
_cell_measurement_theta_max      27.5360

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.981
_exptl_crystal_F_000             482
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    4.641
_shelx_estimated_absorpt_T_min   0.606
_shelx_estimated_absorpt_T_max   0.629
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6997
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Sealed Tube'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7538
_diffrn_reflns_av_unetI/netI     0.0844
_diffrn_reflns_av_R_equivalents  0.0680
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.378
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.010
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             2940
_reflns_number_gt                2346
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0593P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2940
_refine_ls_number_parameters     221
_refine_ls_number_restraints     582
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0521
_refine_ls_wR_factor_ref         0.1301
_refine_ls_wR_factor_gt          0.1180
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      0.977
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.001

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 0.82738(5) 0.65604(4) 0.62916(4) 0.0652(8) Uani 1 1 d . U . . .
Cl1 Cl 0.9222(4) 0.5042(3) 0.8097(3) 0.0841(10) Uani 1 1 d . U . . .
N1 N 1.3994(9) 0.4508(8) 0.3387(6) 0.0649(18) Uani 1 1 d . U . . .
N2 N 1.6274(10) 0.5860(9) 0.3224(7) 0.074(2) Uani 1 1 d . U . . .
N3 N 1.1316(10) 0.7922(8) 0.5496(7) 0.0667(18) Uani 1 1 d . U . . .
N4 N 0.9648(10) 0.8357(8) 0.6246(7) 0.0702(19) Uani 1 1 d . U . . .
O1 O 1.0968(7) 0.5737(6) 0.4935(6) 0.0672(16) Uani 1 1 d . U . . .
O2 O 0.6345(8) 0.8682(7) 0.7301(6) 0.0759(17) Uani 1 1 d . U . . .
O3 O 0.3352(9) 1.0341(8) 0.8777(6) 0.0844(19) Uani 1 1 d . U . . .
O4 O 0.7505(9) 0.7532(7) 0.4469(6) 0.0772(18) Uani 1 1 d . U . . .
H4 H 0.8439 0.6930 0.4058 0.116 Uiso 1 1 d R U . . .
C1 C 1.5554(12) 0.3835(11) 0.2629(9) 0.072(2) Uani 1 1 d . U . . .
H1 H 1.5882 0.2906 0.2142 0.086 Uiso 1 1 calc R U . . .
C2 C 1.6708(12) 0.4502(11) 0.2552(9) 0.075(2) Uani 1 1 d . U . . .
H2 H 1.7790 0.3998 0.2029 0.090 Uiso 1 1 calc R U . . .
C3 C 1.4718(12) 0.6525(11) 0.3933(8) 0.070(2) Uani 1 1 d . U . . .
H3 H 1.4375 0.7482 0.4385 0.084 Uiso 1 1 calc R U . . .
C4 C 1.3570(11) 0.5879(10) 0.4041(8) 0.064(2) Uani 1 1 d . U . . .
C5 C 1.1854(11) 0.6557(9) 0.4860(8) 0.061(2) Uani 1 1 d . U . . .
C6 C 0.9056(13) 0.9732(10) 0.6870(8) 0.070(2) Uani 1 1 d . U . . .
H6 H 0.9774 1.0237 0.6771 0.084 Uiso 1 1 calc R U . . .
C7 C 0.7413(13) 1.0524(10) 0.7687(8) 0.071(2) Uani 1 1 d . U . . .
C8 C 0.7110(14) 1.1942(10) 0.8352(9) 0.080(2) Uani 1 1 d . U . . .
H8 H 0.7956 1.2296 0.8228 0.096 Uiso 1 1 calc R U . . .
C9 C 0.5586(15) 1.2781(11) 0.9167(9) 0.086(3) Uani 1 1 d . U . . .
H9 H 0.5388 1.3704 0.9605 0.103 Uiso 1 1 calc R U . . .
C10 C 0.4290(14) 1.2234(11) 0.9345(8) 0.080(3) Uani 1 1 d . U . . .
H10 H 0.3262 1.2791 0.9927 0.096 Uiso 1 1 calc R U . . .
C11 C 0.4527(13) 1.0929(10) 0.8690(8) 0.074(2) Uani 1 1 d . U . . .
C12 C 0.6121(13) 0.9989(10) 0.7882(8) 0.071(2) Uani 1 1 d . U . . .
C13 C 0.1695(14) 1.1266(13) 0.9491(10) 0.104(4) Uani 1 1 d . U . . .
H13A H 0.1660 1.1488 1.0337 0.155 Uiso 1 1 calc R U . . .
H13B H 0.1005 1.0709 0.9498 0.155 Uiso 1 1 calc R U . . .
H13C H 0.1297 1.2226 0.9121 0.155 Uiso 1 1 calc R U . . .
C14 C 0.716(2) 0.9087(19) 0.4032(14) 0.132(5) Uani 1 1 d . U . . .
H14A H 0.7535 0.9661 0.4486 0.197 Uiso 1 1 calc R U . . .
H14B H 0.5983 0.9631 0.4174 0.197 Uiso 1 1 calc R U . . .
H14C H 0.7725 0.8989 0.3150 0.197 Uiso 1 1 calc R U . . .


_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 O2 2.137(6) . ?
Dy1 O1 2.324(6) 2_766 ?
Dy1 O1 2.328(6) . ?
Dy1 O4 2.384(7) . ?
Dy1 N4 2.451(8) . ?
Dy1 N1 2.570(8) 2_766 ?
Dy1 Cl1 2.593(4) . ?
Dy1 Dy1 3.851(4) 2_766 ?
Dy1 H4 2.4755 . ?
N1 C1 1.338(11) . ?
N1 C4 1.349(11) . ?
N1 Dy1 2.570(8) 2_766 ?
N2 C3 1.317(12) . ?
N2 C2 1.346(12) . ?
N3 C5 1.315(10) . ?
N3 N4 1.415(11) . ?
N4 C6 1.310(11) . ?
O1 C5 1.301(10) . ?
O1 Dy1 2.324(6) 2_766 ?
O2 C12 1.312(10) . ?
O3 C11 1.366(13) . ?
O3 C13 1.417(12) . ?
O4 C14 1.464(16) . ?
O4 H4 0.8200 . ?
C1 C2 1.404(14) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 C4 1.379(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.463(12) . ?
C6 C7 1.423(13) . ?
C6 H6 0.9300 . ?
C7 C12 1.416(14) . ?
C7 C8 1.423(12) . ?
C8 C9 1.359(14) . ?
C8 H8 0.9300 . ?
C9 C10 1.428(16) . ?
C9 H9 0.9300 . ?
C10 C11 1.347(13) . ?
C10 H10 0.9300 . ?
C11 C12 1.416(13) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 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
O2 Dy1 O1 148.2(2) . 2_766 ?
O2 Dy1 O1 138.0(2) . . ?
O1 Dy1 O1 68.2(2) 2_766 . ?
O2 Dy1 O4 86.4(2) . . ?
O1 Dy1 O4 78.3(2) 2_766 . ?
O1 Dy1 O4 83.8(2) . . ?
O2 Dy1 N4 75.2(3) . . ?
O1 Dy1 N4 132.0(2) 2_766 . ?
O1 Dy1 N4 64.2(2) . . ?
O4 Dy1 N4 90.8(2) . . ?
O2 Dy1 N1 86.6(3) . 2_766 ?
O1 Dy1 N1 64.5(2) 2_766 2_766 ?
O1 Dy1 N1 132.7(2) . 2_766 ?
O4 Dy1 N1 84.8(2) . 2_766 ?
N4 Dy1 N1 161.6(2) . 2_766 ?
O2 Dy1 Cl1 101.61(19) . . ?
O1 Dy1 Cl1 92.01(18) 2_766 . ?
O1 Dy1 Cl1 93.55(18) . . ?
O4 Dy1 Cl1 170.27(16) . . ?
N4 Dy1 Cl1 96.55(19) . . ?
N1 Dy1 Cl1 90.20(18) 2_766 . ?
O2 Dy1 Dy1 164.14(17) . 2_766 ?
O1 Dy1 Dy1 34.14(15) 2_766 2_766 ?
O1 Dy1 Dy1 34.08(14) . 2_766 ?
O4 Dy1 Dy1 79.21(18) . 2_766 ?
N4 Dy1 Dy1 98.07(19) . 2_766 ?
N1 Dy1 Dy1 98.63(17) 2_766 2_766 ?
Cl1 Dy1 Dy1 93.36(10) . 2_766 ?
O2 Dy1 H4 104.3 . . ?
O1 Dy1 H4 66.4 2_766 . ?
O1 Dy1 H4 65.7 . . ?
O4 Dy1 H4 19.3 . . ?
N4 Dy1 H4 88.4 . . ?
N1 Dy1 H4 93.0 2_766 . ?
Cl1 Dy1 H4 154.0 . . ?
Dy1 Dy1 H4 60.6 2_766 . ?
C1 N1 C4 116.9(8) . . ?
C1 N1 Dy1 126.1(6) . 2_766 ?
C4 N1 Dy1 117.0(6) . 2_766 ?
C3 N2 C2 116.4(8) . . ?
C5 N3 N4 109.9(7) . . ?
C6 N4 N3 111.6(8) . . ?
C6 N4 Dy1 128.5(7) . . ?
N3 N4 Dy1 119.9(5) . . ?
C5 O1 Dy1 126.3(5) . 2_766 ?
C5 O1 Dy1 121.8(5) . . ?
Dy1 O1 Dy1 111.8(2) 2_766 . ?
C12 O2 Dy1 141.3(7) . . ?
C11 O3 C13 117.8(9) . . ?
C14 O4 Dy1 129.6(7) . . ?
C14 O4 H4 109.5 . . ?
Dy1 O4 H4 86.6 . . ?
N1 C1 C2 121.3(9) . . ?
N1 C1 H1 119.3 . . ?
C2 C1 H1 119.3 . . ?
N2 C2 C1 121.1(9) . . ?
N2 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
N2 C3 C4 123.5(9) . . ?
N2 C3 H3 118.2 . . ?
C4 C3 H3 118.2 . . ?
N1 C4 C3 120.7(8) . . ?
N1 C4 C5 114.5(8) . . ?
C3 C4 C5 124.8(8) . . ?
O1 C5 N3 124.2(8) . . ?
O1 C5 C4 117.2(7) . . ?
N3 C5 C4 118.6(8) . . ?
N4 C6 C7 125.9(9) . . ?
N4 C6 H6 117.1 . . ?
C7 C6 H6 117.1 . . ?
C12 C7 C8 119.7(9) . . ?
C12 C7 C6 124.9(8) . . ?
C8 C7 C6 115.4(9) . . ?
C9 C8 C7 120.1(11) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C8 C9 C10 119.6(9) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 121.4(10) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 O3 125.4(10) . . ?
C10 C11 C12 120.3(11) . . ?
O3 C11 C12 114.2(8) . . ?
O2 C12 C11 119.3(10) . . ?
O2 C12 C7 121.9(9) . . ?
C11 C12 C7 118.7(8) . . ?
O3 C13 H13A 109.5 . . ?
O3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 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
C5 N3 N4 C6 -178.4(8) . . . . ?
C5 N3 N4 Dy1 3.2(9) . . . . ?
C4 N1 C1 C2 2.1(13) . . . . ?
Dy1 N1 C1 C2 -178.2(6) 2_766 . . . ?
C3 N2 C2 C1 -0.9(13) . . . . ?
N1 C1 C2 N2 -1.2(14) . . . . ?
C2 N2 C3 C4 2.1(13) . . . . ?
C1 N1 C4 C3 -0.9(12) . . . . ?
Dy1 N1 C4 C3 179.3(6) 2_766 . . . ?
C1 N1 C4 C5 -179.6(7) . . . . ?
Dy1 N1 C4 C5 0.6(9) 2_766 . . . ?
N2 C3 C4 N1 -1.3(13) . . . . ?
N2 C3 C4 C5 177.3(8) . . . . ?
Dy1 O1 C5 N3 173.6(6) 2_766 . . . ?
Dy1 O1 C5 N3 -2.2(11) . . . . ?
Dy1 O1 C5 C4 -8.3(10) 2_766 . . . ?
Dy1 O1 C5 C4 175.9(5) . . . . ?
N4 N3 C5 O1 -0.7(11) . . . . ?
N4 N3 C5 C4 -178.8(7) . . . . ?
N1 C4 C5 O1 4.4(11) . . . . ?
C3 C4 C5 O1 -174.3(8) . . . . ?
N1 C4 C5 N3 -177.4(8) . . . . ?
C3 C4 C5 N3 3.9(13) . . . . ?
N3 N4 C6 C7 178.6(8) . . . . ?
Dy1 N4 C6 C7 -3.2(14) . . . . ?
N4 C6 C7 C12 -4.7(15) . . . . ?
N4 C6 C7 C8 174.3(9) . . . . ?
C12 C7 C8 C9 -0.2(14) . . . . ?
C6 C7 C8 C9 -179.3(9) . . . . ?
C7 C8 C9 C10 -0.4(15) . . . . ?
C8 C9 C10 C11 -2.3(15) . . . . ?
C9 C10 C11 O3 -178.3(9) . . . . ?
C9 C10 C11 C12 5.5(14) . . . . ?
C13 O3 C11 C10 8.3(13) . . . . ?
C13 O3 C11 C12 -175.3(8) . . . . ?
Dy1 O2 C12 C11 -164.9(6) . . . . ?
Dy1 O2 C12 C7 17.7(14) . . . . ?
C10 C11 C12 O2 176.6(8) . . . . ?
O3 C11 C12 O2 0.0(12) . . . . ?
C10 C11 C12 C7 -5.9(13) . . . . ?
O3 C11 C12 C7 177.5(8) . . . . ?
C8 C7 C12 O2 -179.3(8) . . . . ?
C6 C7 C12 O2 -0.3(14) . . . . ?
C8 C7 C12 C11 3.3(13) . . . . ?
C6 C7 C12 C11 -177.8(8) . . . . ?

_refine_diff_density_max         0.438
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.027

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1862368'
_audit_update_record             
;
2018-08-16 deposited with the CCDC.
2018-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H56 Cl4 Dy4 N16 O16'
_chemical_formula_weight         2000.96

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.416(4)
_cell_length_b                   21.374(8)
_cell_length_c                   16.637(7)
_cell_angle_alpha                90
_cell_angle_beta                 104.907(8)
_cell_angle_gamma                90
_cell_volume                     3236(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9267
_cell_measurement_theta_min      2.9414
_cell_measurement_theta_max      27.5437

_exptl_crystal_description       Prism
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.054
_exptl_crystal_F_000             1928
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1500
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.0800
_exptl_absorpt_coefficient_mu    4.810
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8081
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Sealed Tube'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            29022
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.940
_diffrn_reflns_theta_max         25.005
_diffrn_reflns_theta_full        25.005
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5684
_reflns_number_gt                5536
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+16.0045P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5684
_refine_ls_number_parameters     443
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_ref         0.0715
_refine_ls_wR_factor_gt          0.0707
_refine_ls_goodness_of_fit_ref   1.248
_refine_ls_restrained_S_all      1.247
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 1.2715(9) 0.3432(4) 1.0397(5) 0.044(2) Uani 1 1 d . . . . .
H1A H 1.2834 0.3004 1.0253 0.065 Uiso 1 1 calc R U . . .
H1B H 1.2063 0.3453 1.0755 0.065 Uiso 1 1 calc R U . . .
H1C H 1.3654 0.3603 1.0679 0.065 Uiso 1 1 calc R U . . .
C2 C 1.2933(7) 0.3831(3) 0.9070(4) 0.0199(14) Uani 1 1 d . . . . .
C3 C 1.4248(7) 0.3537(3) 0.9123(4) 0.0264(16) Uani 1 1 d . . . . .
H3 H 1.4679 0.3299 0.9589 0.032 Uiso 1 1 calc R U . . .
C4 C 1.4938(7) 0.3594(3) 0.8484(4) 0.0249(15) Uani 1 1 d . . . . .
H4 H 1.5815 0.3384 0.8515 0.030 Uiso 1 1 calc R U . . .
C5 C 1.4330(7) 0.3960(3) 0.7806(4) 0.0208(14) Uani 1 1 d . . . . .
H5 H 1.4809 0.4001 0.7385 0.025 Uiso 1 1 calc R U . . .
C6 C 1.2990(7) 0.4275(3) 0.7737(4) 0.0187(14) Uani 1 1 d . . . . .
C7 C 1.2262(7) 0.4205(3) 0.8369(4) 0.0205(14) Uani 1 1 d . . . . .
C8 C 1.2451(6) 0.4665(3) 0.7001(4) 0.0163(13) Uani 1 1 d . . . . .
H8 H 1.3059 0.4717 0.6646 0.020 Uiso 1 1 calc R U . . .
C9 C 0.9612(6) 0.5498(3) 0.5831(4) 0.0144(13) Uani 1 1 d . . . . .
C10 C 0.9195(7) 0.5935(3) 0.5122(4) 0.0159(13) Uani 1 1 d . . . . .
C11 C 1.0114(7) 0.6108(3) 0.4620(4) 0.0212(14) Uani 1 1 d . . . . .
H11 H 1.1044 0.5930 0.4724 0.025 Uiso 1 1 calc R U . . .
C12 C 0.8374(8) 0.6762(3) 0.3896(4) 0.0238(15) Uani 1 1 d . . . . .
H12 H 0.8065 0.7059 0.3479 0.029 Uiso 1 1 calc R U . . .
C13 C 0.7438(7) 0.6599(3) 0.4367(4) 0.0197(14) Uani 1 1 d . . . . .
H13 H 0.6513 0.6783 0.4261 0.024 Uiso 1 1 calc R U . . .
C14 C 0.3509(9) 0.7949(4) 0.3650(5) 0.045(2) Uani 1 1 d . . . . .
H14A H 0.4160 0.7957 0.3291 0.067 Uiso 1 1 calc R U . . .
H14B H 0.3543 0.8345 0.3926 0.067 Uiso 1 1 calc R U . . .
H14C H 0.2525 0.7869 0.3327 0.067 Uiso 1 1 calc R U . . .
C15 C 0.3107(7) 0.7387(3) 0.4830(4) 0.0208(14) Uani 1 1 d . . . . .
C16 C 0.1908(7) 0.7732(3) 0.4853(4) 0.0233(15) Uani 1 1 d . . . . .
H16 H 0.1575 0.8040 0.4455 0.028 Uiso 1 1 calc R U . . .
C17 C 0.1171(8) 0.7629(3) 0.5467(4) 0.0272(16) Uani 1 1 d . . . . .
H17 H 0.0353 0.7868 0.5483 0.033 Uiso 1 1 calc R U . . .
C18 C 0.1666(7) 0.7170(3) 0.6047(4) 0.0242(15) Uani 1 1 d . . . . .
H18 H 0.1171 0.7099 0.6455 0.029 Uiso 1 1 calc R U . . .
C19 C 0.2905(7) 0.6806(3) 0.6039(4) 0.0208(14) Uani 1 1 d . . . . .
C20 C 0.3661(7) 0.6910(3) 0.5424(4) 0.0188(14) Uani 1 1 d . . . . .
C21 C 0.3408(7) 0.6361(3) 0.6706(4) 0.0176(13) Uani 1 1 d . . . . .
H21 H 0.2858 0.6328 0.7095 0.021 Uiso 1 1 calc R U . . .
C22 C 0.6118(7) 0.5423(3) 0.7745(4) 0.0153(13) Uani 1 1 d . . . . .
C23 C 0.6678(7) 0.5098(3) 0.8551(4) 0.0155(13) Uani 1 1 d . . . . .
C24 C 0.5925(7) 0.5051(3) 0.9159(4) 0.0207(14) Uani 1 1 d . . . . .
H24 H 0.4992 0.5225 0.9063 0.025 Uiso 1 1 calc R U . . .
C25 C 0.7824(7) 0.4515(3) 0.9984(4) 0.0225(15) Uani 1 1 d . . . . .
H25 H 0.8248 0.4308 1.0479 0.027 Uiso 1 1 calc R U . . .
C26 C 0.8607(7) 0.4552(3) 0.9385(4) 0.0191(14) Uani 1 1 d . . . . .
H26 H 0.9531 0.4369 0.9481 0.023 Uiso 1 1 calc R U . . .
C27 C 0.8215(10) 0.3470(4) 0.7342(5) 0.044(2) Uani 1 1 d D . . . .
H27A H 0.8571 0.3192 0.6984 0.066 Uiso 1 1 calc R U . . .
H27B H 0.7255 0.3337 0.7372 0.066 Uiso 1 1 calc R U . . .
H27C H 0.8873 0.3463 0.7889 0.066 Uiso 1 1 calc R U . . .
C28 C 0.7550(14) 0.7252(4) 0.6613(8) 0.103(5) Uani 1 1 d D . . . .
H28A H 0.7084 0.7379 0.6053 0.154 Uiso 1 1 calc R U . . .
H28B H 0.8529 0.7419 0.6774 0.154 Uiso 1 1 calc R U . . .
H28C H 0.6996 0.7408 0.6981 0.154 Uiso 1 1 calc R U . . .
Cl1 Cl 1.01828(19) 0.61588(8) 0.80377(10) 0.0303(4) Uani 1 1 d . . . . .
Cl2 Cl 0.51990(18) 0.45631(8) 0.58006(9) 0.0238(4) Uani 1 1 d . . . . .
N1 N 1.1198(5) 0.4940(2) 0.6810(3) 0.0162(11) Uani 1 1 d . . . . .
N2 N 1.0955(5) 0.5304(2) 0.6065(3) 0.0148(11) Uani 1 1 d . . . . .
N3 N 0.7840(5) 0.6177(2) 0.4983(3) 0.0172(11) Uani 1 1 d . . . . .
N4 N 0.9716(6) 0.6513(3) 0.4006(3) 0.0264(13) Uani 1 1 d . . . . .
N5 N 0.4548(5) 0.6006(2) 0.6814(3) 0.0167(11) Uani 1 1 d . . . . .
N6 N 0.4863(5) 0.5703(2) 0.7597(3) 0.0170(11) Uani 1 1 d . . . . .
N7 N 0.6497(6) 0.4762(3) 0.9882(3) 0.0227(12) Uani 1 1 d . . . . .
N8 N 0.8032(6) 0.4852(2) 0.8668(3) 0.0160(11) Uani 1 1 d . . . . .
O1 O 1.2103(6) 0.3789(2) 0.9648(3) 0.0383(13) Uani 1 1 d . . . . .
O2 O 1.1000(5) 0.4473(2) 0.8341(3) 0.0236(10) Uani 1 1 d . . . . .
O3 O 0.8551(4) 0.53604(19) 0.6191(2) 0.0156(9) Uani 1 1 d . . . . .
O4 O 0.3960(6) 0.7460(2) 0.4263(3) 0.0374(13) Uani 1 1 d . . . . .
O5 O 0.4814(5) 0.6594(2) 0.5379(3) 0.0225(10) Uani 1 1 d . . . . .
O6 O 0.6962(4) 0.5403(2) 0.7230(2) 0.0176(9) Uani 1 1 d . . . . .
O7 O 0.8134(6) 0.4070(2) 0.7027(3) 0.0397(13) Uani 1 1 d D . . . .
H7 H 0.744(6) 0.4089(12) 0.658(3) 0.060 Uiso 1 1 d D U . . .
O8 O 0.7607(5) 0.6609(2) 0.6655(3) 0.0246(10) Uani 1 1 d D . . . .
H8A H 0.833(5) 0.6496(9) 0.705(3) 0.037 Uiso 1 1 d D U . . .
Dy2 Dy 0.61543(3) 0.57945(2) 0.58721(2) 0.01493(8) Uani 1 1 d D . . . .
Dy1 Dy 0.93039(3) 0.50077(2) 0.75420(2) 0.01686(8) Uani 1 1 d 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
C1 O1 1.448(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.371(9) . ?
C2 O1 1.389(8) . ?
C2 C7 1.420(9) . ?
C3 C4 1.387(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.370(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.408(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.404(9) . ?
C6 C8 1.460(9) . ?
C7 O2 1.309(7) . ?
C8 N1 1.283(8) . ?
C8 H8 0.9300 . ?
C9 N2 1.292(8) . ?
C9 O3 1.324(7) . ?
C9 C10 1.477(8) . ?
C10 N3 1.340(8) . ?
C10 C11 1.398(8) . ?
C11 N4 1.317(8) . ?
C11 H11 0.9300 . ?
C12 N4 1.340(9) . ?
C12 C13 1.367(9) . ?
C12 H12 0.9300 . ?
C13 N3 1.344(8) . ?
C13 H13 0.9300 . ?
C14 O4 1.445(8) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.356(9) . ?
C15 O4 1.396(8) . ?
C15 C20 1.423(9) . ?
C16 C17 1.392(10) . ?
C16 H16 0.9300 . ?
C17 C18 1.370(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.406(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.406(9) . ?
C19 C21 1.446(9) . ?
C20 O5 1.297(7) . ?
C21 N5 1.288(8) . ?
C21 H21 0.9300 . ?
C22 N6 1.290(8) . ?
C22 O6 1.311(7) . ?
C22 C23 1.482(8) . ?
C23 N8 1.346(8) . ?
C23 C24 1.380(9) . ?
C24 N7 1.336(8) . ?
C24 H24 0.9300 . ?
C25 N7 1.326(8) . ?
C25 C26 1.385(9) . ?
C25 H25 0.9300 . ?
C26 N8 1.339(8) . ?
C26 H26 0.9300 . ?
C27 O7 1.381(9) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 O8 1.377(10) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
Cl1 Dy1 2.6585(19) . ?
Cl2 Dy2 2.7741(19) . ?
Cl2 Dy2 2.8509(19) 3_666 ?
N1 N2 1.430(7) . ?
N1 Dy1 2.409(5) . ?
N3 Dy2 2.567(5) . ?
N5 N6 1.418(7) . ?
N5 Dy2 2.483(5) . ?
N8 Dy1 2.492(5) . ?
O2 Dy1 2.129(4) . ?
O3 Dy1 2.303(4) . ?
O3 Dy2 2.370(4) . ?
O5 Dy2 2.157(4) . ?
O6 Dy1 2.293(4) . ?
O6 Dy2 2.346(4) . ?
O7 Dy1 2.340(5) . ?
O7 H7 0.854(9) . ?
O8 Dy2 2.384(4) . ?
O8 H8A 0.852(9) . ?
Dy2 Cl2 2.8509(19) 3_666 ?
Dy2 Dy1 3.8862(11) . ?

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
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 125.8(6) . . ?
C3 C2 C7 120.9(6) . . ?
O1 C2 C7 113.2(6) . . ?
C2 C3 C4 120.3(6) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 120.1(6) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 121.0(6) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 119.2(6) . . ?
C7 C6 C8 123.9(6) . . ?
C5 C6 C8 116.9(6) . . ?
O2 C7 C6 122.7(6) . . ?
O2 C7 C2 118.9(6) . . ?
C6 C7 C2 118.4(6) . . ?
N1 C8 C6 124.7(6) . . ?
N1 C8 H8 117.6 . . ?
C6 C8 H8 117.6 . . ?
N2 C9 O3 125.9(5) . . ?
N2 C9 C10 118.9(5) . . ?
O3 C9 C10 115.1(5) . . ?
N3 C10 C11 120.2(6) . . ?
N3 C10 C9 115.4(5) . . ?
C11 C10 C9 124.5(6) . . ?
N4 C11 C10 122.7(6) . . ?
N4 C11 H11 118.6 . . ?
C10 C11 H11 118.6 . . ?
N4 C12 C13 123.0(6) . . ?
N4 C12 H12 118.5 . . ?
C13 C12 H12 118.5 . . ?
N3 C13 C12 120.7(6) . . ?
N3 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 O4 125.9(6) . . ?
C16 C15 C20 121.9(6) . . ?
O4 C15 C20 112.2(6) . . ?
C15 C16 C17 120.7(6) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 119.1(6) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C19 121.5(6) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?
C18 C19 C20 119.7(6) . . ?
C18 C19 C21 117.8(6) . . ?
C20 C19 C21 122.4(6) . . ?
O5 C20 C19 123.2(6) . . ?
O5 C20 C15 119.7(6) . . ?
C19 C20 C15 117.1(6) . . ?
N5 C21 C19 126.2(6) . . ?
N5 C21 H21 116.9 . . ?
C19 C21 H21 116.9 . . ?
N6 C22 O6 124.8(5) . . ?
N6 C22 C23 119.0(5) . . ?
O6 C22 C23 116.2(5) . . ?
N8 C23 C24 120.8(6) . . ?
N8 C23 C22 114.6(5) . . ?
C24 C23 C22 124.6(6) . . ?
N7 C24 C23 121.9(6) . . ?
N7 C24 H24 119.0 . . ?
C23 C24 H24 119.0 . . ?
N7 C25 C26 122.9(6) . . ?
N7 C25 H25 118.5 . . ?
C26 C25 H25 118.5 . . ?
N8 C26 C25 120.0(6) . . ?
N8 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
O7 C27 H27A 109.5 . . ?
O7 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O7 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O8 C28 H28A 109.5 . . ?
O8 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O8 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Dy2 Cl2 Dy2 110.78(5) . 3_666 ?
C8 N1 N2 113.4(5) . . ?
C8 N1 Dy1 130.9(4) . . ?
N2 N1 Dy1 115.5(3) . . ?
C9 N2 N1 111.2(5) . . ?
C10 N3 C13 117.4(5) . . ?
C10 N3 Dy2 118.7(4) . . ?
C13 N3 Dy2 124.0(4) . . ?
C11 N4 C12 115.9(6) . . ?
C21 N5 N6 111.5(5) . . ?
C21 N5 Dy2 129.9(4) . . ?
N6 N5 Dy2 118.6(3) . . ?
C22 N6 N5 110.7(5) . . ?
C25 N7 C24 116.6(6) . . ?
C26 N8 C23 117.8(5) . . ?
C26 N8 Dy1 124.8(4) . . ?
C23 N8 Dy1 117.4(4) . . ?
C2 O1 C1 117.4(6) . . ?
C7 O2 Dy1 141.7(4) . . ?
C9 O3 Dy1 115.8(3) . . ?
C9 O3 Dy2 126.7(4) . . ?
Dy1 O3 Dy2 112.52(16) . . ?
C15 O4 C14 116.2(6) . . ?
C20 O5 Dy2 143.8(4) . . ?
C22 O6 Dy1 125.0(4) . . ?
C22 O6 Dy2 121.1(4) . . ?
Dy1 O6 Dy2 113.83(17) . . ?
C27 O7 Dy1 133.0(5) . . ?
C27 O7 H7 109.0(15) . . ?
Dy1 O7 H7 117.5(15) . . ?
C28 O8 Dy2 133.8(5) . . ?
C28 O8 H8A 109.6(15) . . ?
Dy2 O8 H8A 116.6(14) . . ?
O5 Dy2 O6 131.45(15) . . ?
O5 Dy2 O3 145.63(15) . . ?
O6 Dy2 O3 65.83(13) . . ?
O5 Dy2 O8 79.98(16) . . ?
O6 Dy2 O8 74.72(15) . . ?
O3 Dy2 O8 77.55(15) . . ?
O5 Dy2 N5 72.75(16) . . ?
O6 Dy2 N5 63.68(15) . . ?
O3 Dy2 N5 129.02(15) . . ?
O8 Dy2 N5 83.07(16) . . ?
O5 Dy2 N3 85.22(16) . . ?
O6 Dy2 N3 125.02(15) . . ?
O3 Dy2 N3 63.86(15) . . ?
O8 Dy2 N3 74.28(16) . . ?
N5 Dy2 N3 150.83(16) . . ?
O5 Dy2 Cl2 125.72(13) . . ?
O6 Dy2 Cl2 73.96(11) . . ?
O3 Dy2 Cl2 85.28(11) . . ?
O8 Dy2 Cl2 148.30(11) . . ?
N5 Dy2 Cl2 87.51(12) . . ?
N3 Dy2 Cl2 121.29(12) . . ?
O5 Dy2 Cl2 76.74(12) . 3_666 ?
O6 Dy2 Cl2 142.88(11) . 3_666 ?
O3 Dy2 Cl2 105.92(10) . 3_666 ?
O8 Dy2 Cl2 141.12(11) . 3_666 ?
N5 Dy2 Cl2 118.21(12) . 3_666 ?
N3 Dy2 Cl2 73.14(12) . 3_666 ?
Cl2 Dy2 Cl2 69.22(5) . 3_666 ?
O5 Dy2 Dy1 151.49(12) . . ?
O6 Dy2 Dy1 32.66(10) . . ?
O3 Dy2 Dy1 33.19(9) . . ?
O8 Dy2 Dy1 72.58(11) . . ?
N5 Dy2 Dy1 96.01(12) . . ?
N3 Dy2 Dy1 94.51(12) . . ?
Cl2 Dy2 Dy1 78.43(4) . . ?
Cl2 Dy2 Dy1 130.47(4) 3_666 . ?
O2 Dy1 O6 149.56(15) . . ?
O2 Dy1 O3 141.14(15) . . ?
O6 Dy1 O3 67.78(14) . . ?
O2 Dy1 O7 88.59(19) . . ?
O6 Dy1 O7 84.13(18) . . ?
O3 Dy1 O7 85.71(16) . . ?
O2 Dy1 N1 75.51(17) . . ?
O6 Dy1 N1 134.59(15) . . ?
O3 Dy1 N1 66.95(15) . . ?
O7 Dy1 N1 95.92(19) . . ?
O2 Dy1 N8 83.50(16) . . ?
O6 Dy1 N8 66.35(15) . . ?
O3 Dy1 N8 133.68(15) . . ?
O7 Dy1 N8 83.63(18) . . ?
N1 Dy1 N8 159.00(16) . . ?
O2 Dy1 Cl1 100.36(13) . . ?
O6 Dy1 Cl1 86.21(12) . . ?
O3 Dy1 Cl1 89.60(11) . . ?
O7 Dy1 Cl1 170.28(15) . . ?
N1 Dy1 Cl1 90.05(13) . . ?
N8 Dy1 Cl1 93.53(12) . . ?
O2 Dy1 Dy2 172.18(12) . . ?
O6 Dy1 Dy2 33.52(10) . . ?
O3 Dy1 Dy2 34.29(10) . . ?
O7 Dy1 Dy2 84.72(13) . . ?
N1 Dy1 Dy2 101.11(12) . . ?
N8 Dy1 Dy2 99.75(12) . . ?
Cl1 Dy1 Dy2 86.60(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C2 C3 C4 177.0(6) . . . . ?
C7 C2 C3 C4 -0.8(10) . . . . ?
C2 C3 C4 C5 1.9(10) . . . . ?
C3 C4 C5 C6 -1.1(10) . . . . ?
C4 C5 C6 C7 -0.9(10) . . . . ?
C4 C5 C6 C8 178.6(6) . . . . ?
C5 C6 C7 O2 -178.7(6) . . . . ?
C8 C6 C7 O2 1.9(10) . . . . ?
C5 C6 C7 C2 2.0(9) . . . . ?
C8 C6 C7 C2 -177.5(6) . . . . ?
C3 C2 C7 O2 179.4(6) . . . . ?
O1 C2 C7 O2 1.4(8) . . . . ?
C3 C2 C7 C6 -1.2(9) . . . . ?
O1 C2 C7 C6 -179.2(6) . . . . ?
C7 C6 C8 N1 -6.6(10) . . . . ?
C5 C6 C8 N1 173.9(6) . . . . ?
N2 C9 C10 N3 -171.9(5) . . . . ?
O3 C9 C10 N3 5.5(7) . . . . ?
N2 C9 C10 C11 7.2(9) . . . . ?
O3 C9 C10 C11 -175.4(5) . . . . ?
N3 C10 C11 N4 0.9(9) . . . . ?
C9 C10 C11 N4 -178.2(6) . . . . ?
N4 C12 C13 N3 0.7(10) . . . . ?
O4 C15 C16 C17 -177.9(6) . . . . ?
C20 C15 C16 C17 0.0(10) . . . . ?
C15 C16 C17 C18 -0.4(10) . . . . ?
C16 C17 C18 C19 0.4(10) . . . . ?
C17 C18 C19 C20 0.1(10) . . . . ?
C17 C18 C19 C21 176.0(6) . . . . ?
C18 C19 C20 O5 179.8(6) . . . . ?
C21 C19 C20 O5 4.0(10) . . . . ?
C18 C19 C20 C15 -0.5(9) . . . . ?
C21 C19 C20 C15 -176.2(6) . . . . ?
C16 C15 C20 O5 -179.8(6) . . . . ?
O4 C15 C20 O5 -1.6(8) . . . . ?
C16 C15 C20 C19 0.5(9) . . . . ?
O4 C15 C20 C19 178.6(5) . . . . ?
C18 C19 C21 N5 -177.4(6) . . . . ?
C20 C19 C21 N5 -1.6(10) . . . . ?
N6 C22 C23 N8 -176.3(5) . . . . ?
O6 C22 C23 N8 3.7(8) . . . . ?
N6 C22 C23 C24 2.3(9) . . . . ?
O6 C22 C23 C24 -177.7(6) . . . . ?
N8 C23 C24 N7 -0.2(10) . . . . ?
C22 C23 C24 N7 -178.7(6) . . . . ?
N7 C25 C26 N8 0.6(10) . . . . ?
C6 C8 N1 N2 178.7(5) . . . . ?
C6 C8 N1 Dy1 4.2(9) . . . . ?
O3 C9 N2 N1 -3.3(8) . . . . ?
C10 C9 N2 N1 173.8(5) . . . . ?
C8 N1 N2 C9 170.8(5) . . . . ?
Dy1 N1 N2 C9 -13.8(6) . . . . ?
C11 C10 N3 C13 -2.1(8) . . . . ?
C9 C10 N3 C13 177.1(5) . . . . ?
C11 C10 N3 Dy2 176.6(4) . . . . ?
C9 C10 N3 Dy2 -4.3(7) . . . . ?
C12 C13 N3 C10 1.3(9) . . . . ?
C12 C13 N3 Dy2 -177.2(4) . . . . ?
C10 C11 N4 C12 1.1(9) . . . . ?
C13 C12 N4 C11 -1.9(9) . . . . ?
C19 C21 N5 N6 170.4(6) . . . . ?
C19 C21 N5 Dy2 -10.0(9) . . . . ?
O6 C22 N6 N5 -2.3(8) . . . . ?
C23 C22 N6 N5 177.6(5) . . . . ?
C21 N5 N6 C22 -170.7(5) . . . . ?
Dy2 N5 N6 C22 9.7(6) . . . . ?
C26 C25 N7 C24 0.4(9) . . . . ?
C23 C24 N7 C25 -0.7(9) . . . . ?
C25 C26 N8 C23 -1.4(9) . . . . ?
C25 C26 N8 Dy1 177.4(4) . . . . ?
C24 C23 N8 C26 1.2(9) . . . . ?
C22 C23 N8 C26 179.9(5) . . . . ?
C24 C23 N8 Dy1 -177.7(4) . . . . ?
C22 C23 N8 Dy1 1.0(6) . . . . ?
C3 C2 O1 C1 3.8(10) . . . . ?
C7 C2 O1 C1 -178.3(6) . . . . ?
C6 C7 O2 Dy1 6.7(11) . . . . ?
C2 C7 O2 Dy1 -173.9(5) . . . . ?
N2 C9 O3 Dy1 19.6(7) . . . . ?
C10 C9 O3 Dy1 -157.6(4) . . . . ?
N2 C9 O3 Dy2 172.7(4) . . . . ?
C10 C9 O3 Dy2 -4.5(7) . . . . ?
C16 C15 O4 C14 0.0(10) . . . . ?
C20 C15 O4 C14 -178.1(6) . . . . ?
C19 C20 O5 Dy2 9.1(11) . . . . ?
C15 C20 O5 Dy2 -170.6(5) . . . . ?
N6 C22 O6 Dy1 172.5(4) . . . . ?
C23 C22 O6 Dy1 -7.4(7) . . . . ?
N6 C22 O6 Dy2 -6.8(8) . . . . ?
C23 C22 O6 Dy2 173.3(4) . . . . ?

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
O8 H8A Cl1 0.852(9) 2.188(10) 3.039(5) 177(2) .
O7 H7 Cl2 0.854(9) 2.40(4) 3.164(6) 149(6) .
C27 H27A N4 0.96 2.66 3.328(10) 127.0 3_766
C26 H26 O2 0.93 2.63 3.183(8) 118.9 .
C25 H25 Cl1 0.93 2.72 3.641(7) 171.1 3_767
C24 H24 N7 0.93 2.51 3.128(8) 123.8 3_667
C16 H16 Cl1 0.93 2.94 3.855(6) 169.9 4_475
C14 H14C Cl1 0.96 2.98 3.584(8) 122.3 4_475
C8 H8 Cl2 0.93 2.76 3.660(6) 163.8 1_655

_refine_diff_density_max         0.798
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.131

