# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_sx322bb
_database_code_depnum_ccdc_archive 'CCDC 1557647'
_audit_update_record             
;
2017-06-21 deposited with the CCDC.
2017-10-17 downloaded from the CCDC.
;
_audit_creation_date             2017-06-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C39 H23 Cl8 Dy N5 Na O5'
_chemical_formula_sum            'C39 H23 Cl8 Dy N5 Na O5'
_chemical_formula_weight         1110.71
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   9.9819(2)
_cell_length_b                   19.8256(4)
_cell_length_c                   20.6783(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.212(2)
_cell_angle_gamma                90
_cell_volume                     4091.26(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10892
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.0002
_cell_measurement_theta_min      2.8905
_shelx_estimated_absorpt_T_max   0.685
_shelx_estimated_absorpt_T_min   0.607
_exptl_absorpt_coefficient_mu    2.411
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76406
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2180
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.17
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0745
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            53081
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.054
_diffrn_reflns_theta_max         25.054
_diffrn_reflns_theta_min         2.896
_diffrn_ambient_temperature      120.15
_diffrn_detector_area_resol_mean 16.0267
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5429
_reflns_number_total             7217
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.830
_refine_diff_density_min         -1.472
_refine_diff_density_rms         0.163
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         7217
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0582
_refine_ls_restrained_S_all      1.156
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0002P)²+51.2016P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1273
_refine_special_details          ?
_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.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C17(H17), C22(H22), C23(H23), C24(H24),
 C27(H27), C32(H32), C33(H33), C34(H34), C37(H37), C42(H42), C43(H43), C44(H44),
  C47(H47), C103(H103)
2.b Idealised Me refined as rotating group:
 C101(H10A,H10B,H10C), C102(H10D,H10E,H10F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.57564(4) 0.21961(2) 0.90100(2) 0.02694(12) Uani 1 1 d . . . . .
Na1 Na 0.3016(4) 0.64238(18) 1.02838(17) 0.0395(9) Uani 1 1 d . . . . .
N11 N 0.5410(6) 0.1582(3) 1.0067(3) 0.0268(15) Uani 1 1 d . . . . .
O12 O 0.7733(6) 0.2490(3) 0.9547(3) 0.0352(14) Uani 1 1 d . . . . .
C12 C 0.5694(8) 0.0947(4) 1.0208(4) 0.0294(19) Uani 1 1 d . . . . .
H12 H 0.618099 0.069102 0.990360 0.035 Uiso 1 1 calc R . . . .
C13 C 0.5310(9) 0.0626(5) 1.0791(4) 0.035(2) Uani 1 1 d . . . . .
H13 H 0.556294 0.017371 1.088248 0.042 Uiso 1 1 calc R . . . .
C14 C 0.4559(8) 0.0993(4) 1.1219(4) 0.033(2) Uani 1 1 d . . . . .
H14 H 0.427962 0.079039 1.161018 0.039 Uiso 1 1 calc R . . . .
C15 C 0.4206(8) 0.1664(4) 1.1083(4) 0.0280(19) Uani 1 1 d . . . . .
Cl16 Cl 0.2808(3) 0.17510(14) 1.21986(12) 0.0551(7) Uani 1 1 d . . . . .
C16 C 0.3436(9) 0.2091(5) 1.1483(4) 0.036(2) Uani 1 1 d . . . . .
C17 C 0.3170(8) 0.2749(5) 1.1330(4) 0.032(2) Uani 1 1 d . . . . .
H17 H 0.262932 0.301656 1.160231 0.038 Uiso 1 1 calc R . . . .
Cl18 Cl 0.3397(2) 0.38705(11) 1.06041(12) 0.0414(6) Uani 1 1 d . . . . .
C18 C 0.3702(8) 0.3022(4) 1.0771(4) 0.031(2) Uani 1 1 d . . . . .
O19 O 0.5031(5) 0.2906(3) 0.9825(3) 0.0277(13) Uani 1 1 d . . . . .
C19 C 0.4498(7) 0.2657(4) 1.0343(4) 0.0264(19) Uani 1 1 d . . . . .
C20 C 0.4701(8) 0.1957(4) 1.0506(4) 0.0263(18) Uani 1 1 d . . . . .
N21 N 0.6160(6) 0.2307(3) 0.7781(3) 0.0264(15) Uani 1 1 d . . . . .
C22 C 0.5985(8) 0.1847(5) 0.7312(4) 0.032(2) Uani 1 1 d . . . . .
H22 H 0.550665 0.144582 0.740536 0.039 Uiso 1 1 calc R . . . .
C23 C 0.6481(8) 0.1936(5) 0.6686(4) 0.032(2) Uani 1 1 d . . . . .
H23 H 0.629428 0.160854 0.636115 0.039 Uiso 1 1 calc R . . . .
C24 C 0.7228(8) 0.2488(4) 0.6546(4) 0.0308(19) Uani 1 1 d . . . . .
H24 H 0.757283 0.254698 0.612473 0.037 Uiso 1 1 calc R . . . .
C25 C 0.7487(8) 0.2977(4) 0.7036(4) 0.0278(19) Uani 1 1 d . . . . .
Cl26 Cl 0.9139(3) 0.36748(13) 0.62403(13) 0.0549(7) Uani 1 1 d . . . . .
C26 C 0.8310(10) 0.3542(4) 0.6968(4) 0.038(2) Uani 1 1 d . . . . .
C27 C 0.8501(10) 0.3969(4) 0.7467(4) 0.037(2) Uani 1 1 d . . . . .
H27 H 0.908053 0.434444 0.741276 0.044 Uiso 1 1 calc R . . . .
Cl28 Cl 0.8198(3) 0.44545(11) 0.86901(11) 0.0431(6) Uani 1 1 d . . . . .
C28 C 0.7887(9) 0.3884(4) 0.8057(4) 0.032(2) Uani 1 1 d . . . . .
O29 O 0.6317(6) 0.3276(3) 0.8681(3) 0.0317(14) Uani 1 1 d . . . . .
C29 C 0.6982(8) 0.3366(4) 0.8160(4) 0.0271(18) Uani 1 1 d . . . . .
C30 C 0.6879(7) 0.2877(4) 0.7637(4) 0.0262(18) Uani 1 1 d . . . . .
N31 N 0.3258(7) 0.2368(3) 0.8793(3) 0.0285(16) Uani 1 1 d . . . . .
C32 C 0.2509(8) 0.2901(4) 0.8931(4) 0.0313(19) Uani 1 1 d . . . . .
H32 H 0.288650 0.323963 0.920418 0.038 Uiso 1 1 calc R . . . .
C33 C 0.1168(8) 0.2995(5) 0.8691(4) 0.032(2) Uani 1 1 d . . . . .
H33 H 0.065856 0.337842 0.880999 0.039 Uiso 1 1 calc R . . . .
C34 C 0.0644(9) 0.2514(5) 0.8285(4) 0.036(2) Uani 1 1 d . . . . .
H34 H -0.024201 0.256613 0.811562 0.043 Uiso 1 1 calc R . . . .
C35 C 0.1398(8) 0.1945(5) 0.8115(4) 0.033(2) Uani 1 1 d . . . . .
Cl36 Cl -0.0590(2) 0.14794(13) 0.73021(12) 0.0447(6) Uani 1 1 d . . . . .
C36 C 0.0995(9) 0.1424(4) 0.7681(4) 0.030(2) Uani 1 1 d . . . . .
C37 C 0.1807(9) 0.0893(4) 0.7537(4) 0.033(2) Uani 1 1 d . . . . .
H37 H 0.151338 0.056109 0.723467 0.039 Uiso 1 1 calc R . . . .
Cl38 Cl 0.4098(2) 0.01686(11) 0.76297(11) 0.0392(5) Uani 1 1 d . . . . .
C38 C 0.3076(8) 0.0841(4) 0.7837(4) 0.0304(19) Uani 1 1 d . . . . .
O39 O 0.4730(5) 0.1273(3) 0.8563(3) 0.0282(13) Uani 1 1 d . . . . .
C39 C 0.3566(8) 0.1315(4) 0.8281(4) 0.0288(19) Uani 1 1 d . . . . .
C40 C 0.2719(8) 0.1878(4) 0.8395(4) 0.0272(19) Uani 1 1 d . . . . .
N41 N 0.7584(7) 0.1292(3) 0.8945(3) 0.0303(16) Uani 1 1 d . . . . .
C42 C 0.7526(9) 0.0699(4) 0.8653(4) 0.034(2) Uani 1 1 d . . . . .
H42 H 0.672751 0.059927 0.841363 0.041 Uiso 1 1 calc R . . . .
C43 C 0.8522(8) 0.0206(5) 0.8662(4) 0.041(2) Uani 1 1 d . . . . .
H43 H 0.841131 -0.021356 0.844477 0.050 Uiso 1 1 calc R . . . .
C44 C 0.9714(9) 0.0370(4) 0.9015(4) 0.034(2) Uani 1 1 d . . . . .
H44 H 1.043757 0.005894 0.903088 0.041 Uiso 1 1 calc R . . . .
C45 C 0.9828(8) 0.0987(4) 0.9338(4) 0.0294(19) Uani 1 1 d . . . . .
Cl46 Cl 1.2360(2) 0.06656(12) 0.97878(12) 0.0405(6) Uani 1 1 d . . . . .
C46 C 1.0969(8) 0.1187(5) 0.9718(4) 0.032(2) Uani 1 1 d . . . . .
C47 C 1.1011(8) 0.1818(4) 1.0015(4) 0.033(2) Uani 1 1 d . . . . .
H47 H 1.178903 0.195260 1.025386 0.039 Uiso 1 1 calc R . . . .
Cl48 Cl 0.9997(2) 0.30314(12) 1.03457(12) 0.0426(6) Uani 1 1 d . . . . .
C48 C 0.9915(8) 0.2250(4) 0.9963(4) 0.0294(19) Uani 1 1 d . . . . .
C49 C 0.8747(8) 0.2092(4) 0.9609(4) 0.0277(19) Uani 1 1 d . . . . .
C50 C 0.8750(8) 0.1448(4) 0.9301(4) 0.0267(18) Uani 1 1 d . . . . .
O100 O 0.2711(8) 0.5568(4) 0.9638(4) 0.067(2) Uani 1 1 d . . . . .
N100 N 0.2879(9) 0.4922(4) 0.8744(4) 0.052(2) Uani 1 1 d . . . . .
C101 C 0.2290(14) 0.4755(7) 0.8111(5) 0.073(4) Uani 1 1 d . . . . .
H10A H 0.141628 0.497586 0.806090 0.110 Uiso 1 1 calc GR . . . .
H10B H 0.217614 0.426507 0.807627 0.110 Uiso 1 1 calc GR . . . .
H10C H 0.288445 0.491164 0.777076 0.110 Uiso 1 1 calc GR . . . .
C102 C 0.4206(12) 0.4684(6) 0.8899(6) 0.072(4) Uani 1 1 d . . . . .
H10D H 0.485780 0.493662 0.864692 0.108 Uiso 1 1 calc GR . . . .
H10E H 0.426904 0.420292 0.879383 0.108 Uiso 1 1 calc GR . . . .
H10F H 0.439719 0.474931 0.936144 0.108 Uiso 1 1 calc GR . . . .
C103 C 0.2225(13) 0.5343(5) 0.9119(6) 0.062(3) Uani 1 1 d . . . . .
H103 H 0.134874 0.548020 0.898924 0.074 Uiso 1 1 calc 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 Na1 3.324(3) 3_667 ?
Dy1 N11 2.531(7) . ?
Dy1 O12 2.318(6) . ?
Dy1 O19 2.323(5) . ?
Dy1 N21 2.591(6) . ?
Dy1 O29 2.319(6) . ?
Dy1 N31 2.547(7) . ?
Dy1 O39 2.282(5) . ?
Dy1 N41 2.564(7) . ?
Na1 O12 2.308(7) 3_667 ?
Na1 O19 2.375(6) 3_667 ?
Na1 Cl28 3.018(4) 3_667 ?
Na1 O29 2.307(6) 3_667 ?
Na1 O100 2.175(8) . ?
N11 C12 1.322(10) . ?
N11 C20 1.380(10) . ?
O12 C49 1.288(10) . ?
C12 C13 1.423(12) . ?
C13 C14 1.380(12) . ?
C14 C15 1.404(12) . ?
C15 C16 1.421(12) . ?
C15 C20 1.424(11) . ?
Cl16 C16 1.753(9) . ?
C16 C17 1.367(13) . ?
C17 C18 1.392(12) . ?
Cl18 C18 1.743(9) . ?
C18 C19 1.403(11) . ?
O19 C19 1.303(9) . ?
C19 C20 1.442(12) . ?
N21 C22 1.340(10) . ?
N21 C30 1.375(10) . ?
C22 C23 1.405(12) . ?
C23 C24 1.360(12) . ?
C24 C25 1.422(12) . ?
C25 C26 1.396(12) . ?
C25 C30 1.409(11) . ?
Cl26 C26 1.754(9) . ?
C26 C27 1.345(12) . ?
C27 C28 1.388(12) . ?
Cl28 C28 1.753(9) . ?
C28 C29 1.388(12) . ?
O29 C29 1.290(9) . ?
C29 C30 1.452(11) . ?
N31 C32 1.329(10) . ?
N31 C40 1.377(10) . ?
C32 C33 1.430(11) . ?
C33 C34 1.366(12) . ?
C34 C35 1.406(12) . ?
C35 C36 1.420(12) . ?
C35 C40 1.435(11) . ?
Cl36 C36 1.754(8) . ?
C36 C37 1.365(12) . ?
C37 C38 1.402(12) . ?
Cl38 C38 1.738(8) . ?
C38 C39 1.396(11) . ?
O39 C39 1.292(9) . ?
C39 C40 1.422(12) . ?
N41 C42 1.323(11) . ?
N41 C50 1.398(10) . ?
C42 C43 1.394(12) . ?
C43 C44 1.420(13) . ?
C44 C45 1.397(12) . ?
C45 C46 1.426(11) . ?
C45 C50 1.413(11) . ?
Cl46 C46 1.734(8) . ?
C46 C47 1.393(12) . ?
C47 C48 1.392(12) . ?
Cl48 C48 1.741(9) . ?
C48 C49 1.399(11) . ?
C49 C50 1.426(12) . ?
O100 C103 1.251(13) . ?
N100 C101 1.462(13) . ?
N100 C102 1.436(14) . ?
N100 C103 1.321(13) . ?

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
N11 Dy1 Na1 94.15(16) . 3_667 ?
N11 Dy1 N21 156.1(2) . . ?
N11 Dy1 N31 93.7(2) . . ?
N11 Dy1 N41 79.6(2) . . ?
O12 Dy1 Na1 43.95(16) . 3_667 ?
O12 Dy1 N11 80.7(2) . . ?
O12 Dy1 O19 77.0(2) . . ?
O12 Dy1 N21 107.5(2) . . ?
O12 Dy1 O29 72.5(2) . . ?
O12 Dy1 N31 150.5(2) . . ?
O12 Dy1 N41 66.5(2) . . ?
O19 Dy1 Na1 45.61(15) . 3_667 ?
O19 Dy1 N11 67.3(2) . . ?
O19 Dy1 N21 135.8(2) . . ?
O19 Dy1 N31 74.2(2) . . ?
O19 Dy1 N41 134.0(2) . . ?
N21 Dy1 Na1 107.31(16) . 3_667 ?
O29 Dy1 Na1 43.93(15) . 3_667 ?
O29 Dy1 N11 137.4(2) . . ?
O29 Dy1 O19 74.61(19) . . ?
O29 Dy1 N21 65.8(2) . . ?
O29 Dy1 N31 93.8(2) . . ?
O29 Dy1 N41 117.0(2) . . ?
N31 Dy1 Na1 108.52(16) . 3_667 ?
N31 Dy1 N21 89.3(2) . . ?
N31 Dy1 N41 141.2(2) . . ?
O39 Dy1 Na1 174.80(15) . 3_667 ?
O39 Dy1 N11 84.0(2) . . ?
O39 Dy1 O12 140.0(2) . . ?
O39 Dy1 O19 129.40(19) . . ?
O39 Dy1 N21 75.5(2) . . ?
O39 Dy1 O29 136.9(2) . . ?
O39 Dy1 N31 66.8(2) . . ?
O39 Dy1 N41 74.5(2) . . ?
N41 Dy1 Na1 110.02(17) . 3_667 ?
N41 Dy1 N21 83.3(2) . . ?
O12 Na1 Dy1 44.20(15) 3_667 3_667 ?
O12 Na1 O19 76.2(2) 3_667 3_667 ?
O12 Na1 Cl28 107.2(2) 3_667 3_667 ?
O19 Na1 Dy1 44.34(14) 3_667 3_667 ?
O19 Na1 Cl28 137.1(2) 3_667 3_667 ?
Cl28 Na1 Dy1 108.41(11) 3_667 3_667 ?
O29 Na1 Dy1 44.21(15) 3_667 3_667 ?
O29 Na1 O12 73.0(2) 3_667 3_667 ?
O29 Na1 O19 73.8(2) 3_667 3_667 ?
O29 Na1 Cl28 66.97(17) 3_667 3_667 ?
O100 Na1 Dy1 163.1(3) . 3_667 ?
O100 Na1 O12 141.1(3) . 3_667 ?
O100 Na1 O19 118.9(3) . 3_667 ?
O100 Na1 Cl28 85.9(3) . 3_667 ?
O100 Na1 O29 143.6(3) . 3_667 ?
C12 N11 Dy1 128.0(5) . . ?
C12 N11 C20 118.5(7) . . ?
C20 N11 Dy1 113.0(5) . . ?
Na1 O12 Dy1 91.8(2) 3_667 . ?
C49 O12 Dy1 123.5(5) . . ?
C49 O12 Na1 144.4(5) . 3_667 ?
N11 C12 C13 123.5(8) . . ?
C14 C13 C12 117.9(8) . . ?
C13 C14 C15 120.5(8) . . ?
C14 C15 C16 125.7(8) . . ?
C14 C15 C20 117.6(8) . . ?
C16 C15 C20 116.6(8) . . ?
C15 C16 Cl16 118.1(7) . . ?
C17 C16 C15 122.5(8) . . ?
C17 C16 Cl16 119.4(7) . . ?
C16 C17 C18 119.2(8) . . ?
C17 C18 Cl18 118.2(7) . . ?
C17 C18 C19 123.7(8) . . ?
C19 C18 Cl18 118.1(7) . . ?
Dy1 O19 Na1 90.05(19) . 3_667 ?
C19 O19 Dy1 120.4(5) . . ?
C19 O19 Na1 129.8(5) . 3_667 ?
C18 C19 C20 115.3(8) . . ?
O19 C19 C18 124.8(8) . . ?
O19 C19 C20 119.9(7) . . ?
N11 C20 C15 121.7(8) . . ?
N11 C20 C19 115.9(7) . . ?
C15 C20 C19 122.5(7) . . ?
C22 N21 Dy1 129.2(6) . . ?
C22 N21 C30 117.6(7) . . ?
C30 N21 Dy1 112.0(5) . . ?
N21 C22 C23 122.6(8) . . ?
C24 C23 C22 120.2(8) . . ?
C23 C24 C25 119.3(8) . . ?
C26 C25 C24 125.0(8) . . ?
C26 C25 C30 117.7(8) . . ?
C30 C25 C24 117.2(8) . . ?
C25 C26 Cl26 119.7(7) . . ?
C27 C26 C25 120.2(8) . . ?
C27 C26 Cl26 120.1(7) . . ?
C26 C27 C28 122.6(9) . . ?
C28 Cl28 Na1 94.9(3) . 3_667 ?
C27 C28 Cl28 120.2(7) . . ?
C29 C28 C27 121.7(8) . . ?
C29 C28 Cl28 118.0(7) . . ?
Na1 O29 Dy1 91.9(2) 3_667 . ?
C29 O29 Dy1 120.3(5) . . ?
C29 O29 Na1 126.6(5) . 3_667 ?
C28 C29 C30 114.6(7) . . ?
O29 C29 C28 125.3(8) . . ?
O29 C29 C30 120.0(8) . . ?
N21 C30 C25 122.9(7) . . ?
N21 C30 C29 114.6(7) . . ?
C25 C30 C29 122.5(8) . . ?
C32 N31 Dy1 128.5(5) . . ?
C32 N31 C40 118.4(7) . . ?
C40 N31 Dy1 112.3(5) . . ?
N31 C32 C33 123.8(8) . . ?
C34 C33 C32 117.8(8) . . ?
C33 C34 C35 120.9(8) . . ?
C34 C35 C36 126.6(8) . . ?
C34 C35 C40 117.7(8) . . ?
C36 C35 C40 115.7(8) . . ?
C35 C36 Cl36 118.5(7) . . ?
C37 C36 C35 122.5(8) . . ?
C37 C36 Cl36 119.0(6) . . ?
C36 C37 C38 119.7(8) . . ?
C37 C38 Cl38 118.6(6) . . ?
C39 C38 C37 122.8(8) . . ?
C39 C38 Cl38 118.6(6) . . ?
C39 O39 Dy1 121.5(5) . . ?
C38 C39 C40 115.8(7) . . ?
O39 C39 C38 123.6(8) . . ?
O39 C39 C40 120.5(7) . . ?
N31 C40 C35 121.3(8) . . ?
N31 C40 C39 115.3(7) . . ?
C39 C40 C35 123.4(8) . . ?
C42 N41 Dy1 128.4(6) . . ?
C42 N41 C50 117.8(7) . . ?
C50 N41 Dy1 113.7(5) . . ?
N41 C42 C43 126.3(9) . . ?
C42 C43 C44 115.8(9) . . ?
C45 C44 C43 120.4(8) . . ?
C44 C45 C46 124.3(8) . . ?
C44 C45 C50 119.1(8) . . ?
C50 C45 C46 116.6(8) . . ?
C45 C46 Cl46 120.6(7) . . ?
C47 C46 C45 120.6(8) . . ?
C47 C46 Cl46 118.8(6) . . ?
C48 C47 C46 120.2(8) . . ?
C47 C48 Cl48 118.9(6) . . ?
C47 C48 C49 123.2(8) . . ?
C49 C48 Cl48 117.9(7) . . ?
O12 C49 C48 124.0(8) . . ?
O12 C49 C50 120.9(7) . . ?
C48 C49 C50 115.1(8) . . ?
N41 C50 C45 120.6(8) . . ?
N41 C50 C49 115.1(7) . . ?
C45 C50 C49 124.3(7) . . ?
C103 O100 Na1 148.4(8) . . ?
C102 N100 C101 118.5(10) . . ?
C103 N100 C101 118.3(10) . . ?
C103 N100 C102 122.8(10) . . ?
O100 C103 N100 122.8(12) . . ?

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 N11 C12 C13 -172.0(6) . . . . ?
Dy1 N11 C20 C15 169.2(6) . . . . ?
Dy1 N11 C20 C19 -10.8(8) . . . . ?
Dy1 O12 C49 C48 -176.3(6) . . . . ?
Dy1 O12 C49 C50 4.9(11) . . . . ?
Dy1 O19 C19 C18 -161.3(6) . . . . ?
Dy1 O19 C19 C20 18.1(9) . . . . ?
Dy1 N21 C22 C23 -167.6(6) . . . . ?
Dy1 N21 C30 C25 165.2(6) . . . . ?
Dy1 N21 C30 C29 -13.8(8) . . . . ?
Dy1 O29 C29 C28 -148.3(7) . . . . ?
Dy1 O29 C29 C30 27.6(9) . . . . ?
Dy1 N31 C32 C33 168.8(6) . . . . ?
Dy1 N31 C40 C35 -168.3(6) . . . . ?
Dy1 N31 C40 C39 11.1(8) . . . . ?
Dy1 O39 C39 C38 159.4(6) . . . . ?
Dy1 O39 C39 C40 -18.1(10) . . . . ?
Dy1 N41 C42 C43 -176.1(7) . . . . ?
Dy1 N41 C50 C45 177.1(6) . . . . ?
Dy1 N41 C50 C49 -3.0(8) . . . . ?
Na1 O12 C49 C48 10.8(15) 3_667 . . . ?
Na1 O12 C49 C50 -168.0(6) 3_667 . . . ?
Na1 O19 C19 C18 79.4(9) 3_667 . . . ?
Na1 O19 C19 C20 -101.3(8) 3_667 . . . ?
Na1 Cl28 C28 C27 -166.5(7) 3_667 . . . ?
Na1 Cl28 C28 C29 15.6(7) 3_667 . . . ?
Na1 O29 C29 C28 -29.6(11) 3_667 . . . ?
Na1 O29 C29 C30 146.3(6) 3_667 . . . ?
Na1 O100 C103 N100 137.9(12) . . . . ?
N11 C12 C13 C14 2.4(13) . . . . ?
O12 C49 C50 N41 -0.8(11) . . . . ?
O12 C49 C50 C45 179.1(8) . . . . ?
C12 N11 C20 C15 -3.8(11) . . . . ?
C12 N11 C20 C19 176.1(7) . . . . ?
C12 C13 C14 C15 -0.8(12) . . . . ?
C13 C14 C15 C16 179.8(8) . . . . ?
C13 C14 C15 C20 -2.9(12) . . . . ?
C14 C15 C16 Cl16 -2.6(12) . . . . ?
C14 C15 C16 C17 177.5(8) . . . . ?
C14 C15 C20 N11 5.3(11) . . . . ?
C14 C15 C20 C19 -174.7(7) . . . . ?
C15 C16 C17 C18 -1.9(13) . . . . ?
Cl16 C16 C17 C18 178.2(6) . . . . ?
C16 C15 C20 N11 -177.1(7) . . . . ?
C16 C15 C20 C19 2.9(11) . . . . ?
C16 C17 C18 Cl18 -177.7(7) . . . . ?
C16 C17 C18 C19 0.6(13) . . . . ?
C17 C18 C19 O19 -178.4(7) . . . . ?
C17 C18 C19 C20 2.3(12) . . . . ?
Cl18 C18 C19 O19 -0.1(11) . . . . ?
Cl18 C18 C19 C20 -179.5(6) . . . . ?
C18 C19 C20 N11 176.0(7) . . . . ?
C18 C19 C20 C15 -4.0(11) . . . . ?
O19 C19 C20 N11 -3.4(10) . . . . ?
O19 C19 C20 C15 176.5(7) . . . . ?
C20 N11 C12 C13 -0.1(12) . . . . ?
C20 C15 C16 Cl16 -179.9(6) . . . . ?
C20 C15 C16 C17 0.2(12) . . . . ?
N21 C22 C23 C24 3.4(13) . . . . ?
C22 N21 C30 C25 -3.4(11) . . . . ?
C22 N21 C30 C29 177.6(7) . . . . ?
C22 C23 C24 C25 -0.7(12) . . . . ?
C23 C24 C25 C26 175.5(8) . . . . ?
C23 C24 C25 C30 -3.6(11) . . . . ?
C24 C25 C26 Cl26 -1.4(12) . . . . ?
C24 C25 C26 C27 -179.1(8) . . . . ?
C24 C25 C30 N21 5.8(11) . . . . ?
C24 C25 C30 C29 -175.2(7) . . . . ?
C25 C26 C27 C28 -1.3(14) . . . . ?
Cl26 C26 C27 C28 -179.1(7) . . . . ?
C26 C25 C30 N21 -173.3(7) . . . . ?
C26 C25 C30 C29 5.6(12) . . . . ?
C26 C27 C28 Cl28 179.2(7) . . . . ?
C26 C27 C28 C29 -3.0(14) . . . . ?
C27 C28 C29 O29 -176.0(8) . . . . ?
C27 C28 C29 C30 7.9(12) . . . . ?
Cl28 C28 C29 O29 1.9(12) . . . . ?
Cl28 C28 C29 C30 -174.2(6) . . . . ?
C28 C29 C30 N21 169.7(7) . . . . ?
C28 C29 C30 C25 -9.4(11) . . . . ?
O29 C29 C30 N21 -6.7(11) . . . . ?
O29 C29 C30 C25 174.3(7) . . . . ?
C30 N21 C22 C23 -1.3(11) . . . . ?
C30 C25 C26 Cl26 177.7(6) . . . . ?
C30 C25 C26 C27 0.0(13) . . . . ?
N31 C32 C33 C34 -1.6(13) . . . . ?
C32 N31 C40 C35 2.0(11) . . . . ?
C32 N31 C40 C39 -178.6(7) . . . . ?
C32 C33 C34 C35 0.6(13) . . . . ?
C33 C34 C35 C36 -177.4(8) . . . . ?
C33 C34 C35 C40 1.5(12) . . . . ?
C34 C35 C36 Cl36 0.5(12) . . . . ?
C34 C35 C36 C37 178.9(8) . . . . ?
C34 C35 C40 N31 -2.9(12) . . . . ?
C34 C35 C40 C39 177.7(8) . . . . ?
C35 C36 C37 C38 1.8(13) . . . . ?
Cl36 C36 C37 C38 -179.8(7) . . . . ?
C36 C35 C40 N31 176.1(7) . . . . ?
C36 C35 C40 C39 -3.3(12) . . . . ?
C36 C37 C38 Cl38 -178.7(7) . . . . ?
C36 C37 C38 C39 -0.4(13) . . . . ?
C37 C38 C39 O39 179.8(8) . . . . ?
C37 C38 C39 C40 -2.6(12) . . . . ?
Cl38 C38 C39 O39 -1.9(12) . . . . ?
Cl38 C38 C39 C40 175.7(6) . . . . ?
C38 C39 C40 N31 -174.9(7) . . . . ?
C38 C39 C40 C35 4.5(12) . . . . ?
O39 C39 C40 N31 2.7(11) . . . . ?
O39 C39 C40 C35 -177.8(7) . . . . ?
C40 N31 C32 C33 0.3(12) . . . . ?
C40 C35 C36 Cl36 -178.4(6) . . . . ?
C40 C35 C36 C37 0.0(12) . . . . ?
N41 C42 C43 C44 -0.9(14) . . . . ?
C42 N41 C50 C45 0.6(11) . . . . ?
C42 N41 C50 C49 -179.5(7) . . . . ?
C42 C43 C44 C45 1.4(12) . . . . ?
C43 C44 C45 C46 178.3(8) . . . . ?
C43 C44 C45 C50 -0.9(13) . . . . ?
C44 C45 C46 Cl46 1.7(12) . . . . ?
C44 C45 C46 C47 178.8(8) . . . . ?
C44 C45 C50 N41 -0.1(12) . . . . ?
C44 C45 C50 C49 -179.9(8) . . . . ?
C45 C46 C47 C48 2.3(13) . . . . ?
Cl46 C46 C47 C48 179.4(6) . . . . ?
C46 C45 C50 N41 -179.4(7) . . . . ?
C46 C45 C50 C49 0.8(12) . . . . ?
C46 C47 C48 Cl48 179.5(6) . . . . ?
C46 C47 C48 C49 -1.3(13) . . . . ?
C47 C48 C49 O12 -178.8(8) . . . . ?
C47 C48 C49 C50 0.1(12) . . . . ?
Cl48 C48 C49 O12 0.4(11) . . . . ?
Cl48 C48 C49 C50 179.3(6) . . . . ?
C48 C49 C50 N41 -179.7(7) . . . . ?
C48 C49 C50 C45 0.2(12) . . . . ?
C50 N41 C42 C43 -0.1(13) . . . . ?
C50 C45 C46 Cl46 -179.1(6) . . . . ?
C50 C45 C46 C47 -2.0(12) . . . . ?
C101 N100 C103 O100 -172.5(11) . . . . ?
C102 N100 C103 O100 0.1(18) . . . . ?

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

data_sx311bb
_database_code_depnum_ccdc_archive 'CCDC 1557648'
_audit_update_record             
;
2017-06-21 deposited with the CCDC.
2017-10-17 downloaded from the CCDC.
;
_audit_creation_date             2017-06-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'2(C36 H16 Cl8 Dy K0.5 N4 O4), C8 H20 N, 2(C2 H3 N)'
_chemical_formula_sum            'C84 H58 Cl16 Dy2 K N11 O8'
_chemical_formula_weight         2280.71
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.8989(16)
_cell_length_b                   16.0286(16)
_cell_length_c                   19.542(2)
_cell_angle_alpha                98.384(9)
_cell_angle_beta                 91.201(9)
_cell_angle_gamma                118.115(10)
_cell_volume                     4322.4(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1603
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.0089
_cell_measurement_theta_min      2.8774
_shelx_estimated_absorpt_T_max   0.893
_shelx_estimated_absorpt_T_min   0.801
_exptl_absorpt_coefficient_mu    2.322
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66154
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2252
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1551
_diffrn_reflns_av_unetI/netI     0.3117
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            34536
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.063
_diffrn_reflns_theta_max         25.063
_diffrn_reflns_theta_min         2.883
_diffrn_ambient_temperature      120.15
_diffrn_detector_area_resol_mean 16.0267
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6521
_reflns_number_total             15245
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         3.420
_refine_diff_density_min         -1.373
_refine_diff_density_rms         0.239
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     583
_refine_ls_number_reflns         15245
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2146
_refine_ls_R_factor_gt           0.0946
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1231
_refine_ls_wR_factor_ref         0.1898
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H) groups, All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C103(H10F,H10G), C105(H10K,H10L), C107(H10P,H10Q)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C17(H17), C22(H22), C23(H23), C24(H24),
 C27(H27), C32(H32), C33(H33), C34(H34), C37(H37), C42(H42), C43(H43), C44(H44),
  C47(H47), C52(H52), C53(H53), C54(H54), C57(H57), C62(H62), C63(H63),
 C64(H64), C67(H67), C72(H72), C73(H73), C74(H74), C77(H77), C82(H82), C83(H83),
  C84(H84), C87(H87)
2.c Idealised Me refined as rotating group:
 C102(H10C,H10D,H10E), C104(H10H,H10I,H10J), C106(H10M,H10N,H10O), C108(H10R,
 H10S,H10T), C202(H20A,H20B,H20C), C302(H30A,H30B,H30C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 1.91692(5) -0.87415(5) 0.87392(4) 0.0213(2) Uani 1 1 d . . . . .
Dy2 Dy 1.30840(5) -0.11672(5) 0.63225(4) 0.0223(2) Uani 1 1 d . . . . .
N11 N 1.8835(7) -0.7638(8) 0.9613(6) 0.014(3) Uiso 1 1 d . . . . .
C12 C 1.8798(10) -0.7631(11) 1.0278(8) 0.026(4) Uiso 1 1 d . . . . .
H12 H 1.882330 -0.813397 1.046688 0.031 Uiso 1 1 calc R . . . .
C13 C 1.8723(10) -0.6914(11) 1.0723(9) 0.034(4) Uiso 1 1 d . . . . .
H13 H 1.865939 -0.695528 1.120089 0.040 Uiso 1 1 calc R . . . .
C14 C 1.8739(9) -0.6165(10) 1.0484(8) 0.022(4) Uiso 1 1 d . . . . .
H14 H 1.871743 -0.566378 1.079615 0.027 Uiso 1 1 calc R . . . .
C15 C 1.8786(10) -0.6119(11) 0.9779(9) 0.027(4) Uiso 1 1 d . . . . .
C16 C 1.8809(10) -0.5366(10) 0.9452(8) 0.023(4) Uiso 1 1 d . . . . .
Cl16 Cl 1.8799(3) -0.4381(3) 0.9942(2) 0.0396(12) Uani 1 1 d . . . . .
C17 C 1.8859(10) -0.5418(11) 0.8751(9) 0.029(4) Uiso 1 1 d . . . . .
H17 H 1.889334 -0.490396 0.854382 0.035 Uiso 1 1 calc R . . . .
C18 C 1.8863(10) -0.6185(10) 0.8335(8) 0.022(4) Uiso 1 1 d . . . . .
Cl18 Cl 1.8903(3) -0.6218(3) 0.7439(2) 0.0357(11) Uani 1 1 d . . . . .
O19 O 1.8779(6) -0.7742(7) 0.8231(5) 0.025(3) Uiso 1 1 d . . . . .
C19 C 1.8820(10) -0.6988(10) 0.8590(8) 0.021(4) Uiso 1 1 d . . . . .
C20 C 1.8802(10) -0.6896(11) 0.9330(9) 0.029(4) Uiso 1 1 d . . . . .
N21 N 2.0758(8) -0.7387(9) 0.8482(7) 0.027(3) Uiso 1 1 d . . . . .
C22 C 2.0889(10) -0.6955(10) 0.7942(8) 0.026(4) Uiso 1 1 d . . . . .
H22 H 2.033341 -0.708772 0.765751 0.032 Uiso 1 1 calc R . . . .
C23 C 2.1810(10) -0.6290(10) 0.7746(9) 0.027(4) Uiso 1 1 d . . . . .
H23 H 2.188553 -0.600917 0.734000 0.032 Uiso 1 1 calc R . . . .
C24 C 2.2578(11) -0.6107(11) 0.8218(9) 0.034(4) Uiso 1 1 d . . . . .
H24 H 2.320906 -0.566890 0.813334 0.041 Uiso 1 1 calc R . . . .
C25 C 2.2462(11) -0.6533(11) 0.8803(9) 0.028(4) Uiso 1 1 d . . . . .
C26 C 2.3213(10) -0.6332(11) 0.9302(9) 0.027(4) Uiso 1 1 d . . . . .
Cl26 Cl 2.4407(3) -0.5596(4) 0.9149(3) 0.0583(16) Uani 1 1 d . . . . .
C27 C 2.3031(12) -0.6736(12) 0.9886(10) 0.041(5) Uiso 1 1 d . . . . .
H27 H 2.354956 -0.659401 1.021512 0.049 Uiso 1 1 calc R . . . .
C28 C 2.2098(10) -0.7353(10) 1.0008(8) 0.022(4) Uiso 1 1 d . . . . .
Cl28 Cl 2.1873(3) -0.7854(3) 1.0756(2) 0.0309(10) Uani 1 1 d . . . . .
O29 O 2.0427(7) -0.8236(7) 0.9592(6) 0.029(3) Uiso 1 1 d . . . . .
C29 C 2.1305(10) -0.7627(10) 0.9514(8) 0.022(4) Uiso 1 1 d . . . . .
C30 C 2.1517(11) -0.7179(11) 0.8929(9) 0.026(4) Uiso 1 1 d . . . . .
N31 N 1.7426(8) -0.9931(8) 0.8331(7) 0.020(3) Uiso 1 1 d . . . . .
C32 C 1.6937(10) -1.0089(11) 0.7726(8) 0.025(4) Uiso 1 1 d . . . . .
H32 H 1.726699 -0.968745 0.740293 0.030 Uiso 1 1 calc R . . . .
C33 C 1.5977(11) -1.0795(11) 0.7512(9) 0.034(4) Uiso 1 1 d . . . . .
H33 H 1.566518 -1.085721 0.707308 0.041 Uiso 1 1 calc R . . . .
C34 C 1.5516(11) -1.1394(11) 0.7985(9) 0.029(4) Uiso 1 1 d . . . . .
H34 H 1.488032 -1.190481 0.785966 0.034 Uiso 1 1 calc R . . . .
C35 C 1.5979(11) -1.1252(11) 0.8649(9) 0.031(4) Uiso 1 1 d . . . . .
C36 C 1.5539(10) -1.1822(10) 0.9163(8) 0.020(4) Uiso 1 1 d . . . . .
Cl36 Cl 1.4356(3) -1.2756(3) 0.8979(3) 0.0441(13) Uani 1 1 d . . . . .
C37 C 1.6048(10) -1.1635(11) 0.9795(9) 0.029(4) Uiso 1 1 d . . . . .
H37 H 1.575636 -1.200522 1.014402 0.034 Uiso 1 1 calc R . . . .
C38 C 1.6992(10) -1.0901(10) 0.9920(8) 0.023(4) Uiso 1 1 d . . . . .
Cl38 Cl 1.7616(3) -1.0724(3) 1.0729(2) 0.0313(11) Uani 1 1 d . . . . .
C39 C 1.7504(10) -1.0348(10) 0.9444(8) 0.021(4) Uiso 1 1 d . . . . .
O39 O 1.8397(6) -0.9677(7) 0.9557(5) 0.023(3) Uiso 1 1 d . . . . .
C40 C 1.6948(9) -1.0526(10) 0.8803(8) 0.016(3) Uiso 1 1 d . . . . .
N41 N 1.9219(8) -0.9211(8) 0.7415(7) 0.024(3) Uiso 1 1 d . . . . .
C42 C 1.9047(9) -0.8864(10) 0.6910(8) 0.016(3) Uiso 1 1 d . . . . .
H42 H 1.883282 -0.840314 0.702118 0.020 Uiso 1 1 calc R . . . .
C43 C 1.9148(10) -0.9104(10) 0.6217(9) 0.029(4) Uiso 1 1 d . . . . .
H43 H 1.899810 -0.882780 0.586677 0.035 Uiso 1 1 calc R . . . .
C44 C 1.9473(9) -0.9759(9) 0.6058(8) 0.017(4) Uiso 1 1 d . . . . .
H44 H 1.956518 -0.992948 0.559023 0.021 Uiso 1 1 calc R . . . .
C45 C 1.9663(9) -1.0166(10) 0.6561(8) 0.020(4) Uiso 1 1 d . . . . .
C46 C 1.9993(10) -1.0849(11) 0.6483(9) 0.029(4) Uiso 1 1 d . . . . .
Cl46 Cl 2.0179(3) -1.1259(3) 0.5644(2) 0.0366(12) Uani 1 1 d . . . . .
C47 C 2.0163(9) -1.1226(10) 0.7034(8) 0.022(4) Uiso 1 1 d . . . . .
H47 H 2.037061 -1.169554 0.695674 0.026 Uiso 1 1 calc R . . . .
C48 C 2.0026(9) -1.0908(9) 0.7693(7) 0.012(3) Uiso 1 1 d . . . . .
Cl48 Cl 2.0291(3) -1.1360(3) 0.8390(2) 0.0355(12) Uani 1 1 d . . . . .
O49 O 1.9613(6) -0.9901(7) 0.8488(5) 0.025(3) Uiso 1 1 d . . . . .
C49 C 1.9739(9) -1.0206(9) 0.7865(8) 0.014(3) Uiso 1 1 d . . . . .
C50 C 1.9534(9) -0.9875(10) 0.7263(8) 0.018(4) Uiso 1 1 d . . . . .
N51 N 1.1719(8) -0.2268(8) 0.5399(7) 0.024(3) Uiso 1 1 d . . . . .
C52 C 1.1708(12) -0.2306(12) 0.4719(9) 0.036(4) Uiso 1 1 d . . . . .
H52 H 1.226306 -0.186631 0.453641 0.043 Uiso 1 1 calc R . . . .
C53 C 1.0914(11) -0.2966(12) 0.4261(10) 0.040(5) Uiso 1 1 d . . . . .
H53 H 1.091114 -0.293153 0.377942 0.048 Uiso 1 1 calc R . . . .
C54 C 1.0133(11) -0.3668(12) 0.4502(9) 0.036(4) Uiso 1 1 d . . . . .
H54 H 0.959459 -0.411824 0.418505 0.043 Uiso 1 1 calc R . . . .
C55 C 1.0124(10) -0.3725(10) 0.5206(8) 0.018(4) Uiso 1 1 d . . . . .
C56 C 0.9382(10) -0.4417(10) 0.5521(8) 0.022(4) Uiso 1 1 d . . . . .
Cl56 Cl 0.8355(3) -0.5315(3) 0.5002(2) 0.0377(12) Uani 1 1 d . . . . .
C57 C 0.9461(11) -0.4370(11) 0.6228(9) 0.032(4) Uiso 1 1 d . . . . .
H57 H 0.897808 -0.486581 0.642796 0.039 Uiso 1 1 calc R . . . .
C58 C 1.0249(10) -0.3597(10) 0.6670(8) 0.017(3) Uiso 1 1 d . . . . .
Cl58 Cl 1.0243(3) -0.3598(3) 0.7543(2) 0.0430(13) Uani 1 1 d . . . . .
O59 O 1.1696(6) -0.2165(7) 0.6781(5) 0.020(2) Uiso 1 1 d . . . . .
C59 C 1.0977(10) -0.2894(10) 0.6395(8) 0.019(4) Uiso 1 1 d . . . . .
C60 C 1.0934(10) -0.2975(10) 0.5646(8) 0.019(4) Uiso 1 1 d . . . . .
N61 N 1.2586(8) 0.0114(8) 0.6704(7) 0.023(3) Uiso 1 1 d . . . . .
C62 C 1.2324(9) 0.0325(10) 0.7312(8) 0.022(4) Uiso 1 1 d . . . . .
H62 H 1.232301 -0.002372 0.766627 0.026 Uiso 1 1 calc R . . . .
C63 C 1.2044(9) 0.1045(9) 0.7467(8) 0.016(3) Uiso 1 1 d . . . . .
H63 H 1.189895 0.120034 0.792179 0.019 Uiso 1 1 calc R . . . .
C64 C 1.1986(9) 0.1506(10) 0.6957(8) 0.021(4) Uiso 1 1 d . . . . .
H64 H 1.176196 0.196174 0.704508 0.025 Uiso 1 1 calc R . . . .
C65 C 1.2251(10) 0.1318(11) 0.6309(8) 0.024(4) Uiso 1 1 d . . . . .
C66 C 1.2231(9) 0.1777(10) 0.5766(8) 0.016(3) Uiso 1 1 d . . . . .
Cl66 Cl 1.1801(3) 0.2590(3) 0.5834(2) 0.0366(12) Uani 1 1 d . . . . .
C67 C 1.2535(10) 0.1539(11) 0.5114(9) 0.033(4) Uiso 1 1 d . . . . .
H67 H 1.251418 0.184566 0.473762 0.040 Uiso 1 1 calc R . . . .
C68 C 1.2858(10) 0.0865(11) 0.5025(9) 0.027(4) Uiso 1 1 d . . . . .
Cl68 Cl 1.3295(3) 0.0665(3) 0.4245(2) 0.0342(11) Uani 1 1 d . . . . .
O69 O 1.3191(6) -0.0257(7) 0.5488(5) 0.024(3) Uiso 1 1 d . . . . .
C69 C 1.2902(10) 0.0389(10) 0.5561(8) 0.022(4) Uiso 1 1 d . . . . .
C70 C 1.2563(9) 0.0625(10) 0.6222(8) 0.019(4) Uiso 1 1 d . . . . .
N71 N 1.3542(8) -0.0718(8) 0.7655(7) 0.022(3) Uiso 1 1 d . . . . .
C72 C 1.3015(11) -0.1104(11) 0.8136(9) 0.030(4) Uiso 1 1 d . . . . .
H72 H 1.237471 -0.160145 0.800340 0.036 Uiso 1 1 calc R . . . .
C73 C 1.3364(10) -0.0807(11) 0.8860(9) 0.028(4) Uiso 1 1 d . . . . .
H73 H 1.297279 -0.112058 0.920091 0.034 Uiso 1 1 calc R . . . .
C74 C 1.4270(10) -0.0062(11) 0.9049(9) 0.032(4) Uiso 1 1 d . . . . .
H74 H 1.451146 0.016550 0.952579 0.039 Uiso 1 1 calc R . . . .
C75 C 1.4842(10) 0.0363(11) 0.8529(9) 0.024(4) Uiso 1 1 d . . . . .
C76 C 1.5793(11) 0.1155(11) 0.8684(9) 0.033(4) Uiso 1 1 d . . . . .
Cl76 Cl 1.6328(3) 0.1584(3) 0.9532(3) 0.0465(13) Uani 1 1 d . . . . .
C77 C 1.6294(11) 0.1521(12) 0.8134(9) 0.036(4) Uiso 1 1 d . . . . .
H77 H 1.693782 0.202427 0.822818 0.043 Uiso 1 1 calc R . . . .
C78 C 1.5881(11) 0.1173(11) 0.7443(9) 0.029(4) Uiso 1 1 d . . . . .
Cl78 Cl 1.6604(3) 0.1670(3) 0.6789(3) 0.0479(14) Uani 1 1 d . . . . .
O79 O 1.4611(7) 0.0065(7) 0.6627(6) 0.027(3) Uiso 1 1 d . . . . .
C79 C 1.4967(10) 0.0421(11) 0.7275(9) 0.026(4) Uiso 1 1 d . . . . .
C80 C 1.4461(10) 0.0049(11) 0.7831(9) 0.025(4) Uiso 1 1 d . . . . .
N81 N 1.3233(8) -0.2619(8) 0.6579(6) 0.020(3) Uiso 1 1 d . . . . .
C82 C 1.2911(9) -0.3087(10) 0.7096(8) 0.017(3) Uiso 1 1 d . . . . .
H82 H 1.264445 -0.283015 0.744162 0.020 Uiso 1 1 calc R . . . .
C83 C 1.2927(10) -0.3923(10) 0.7180(8) 0.025(4) Uiso 1 1 d . . . . .
H83 H 1.265474 -0.423121 0.756004 0.030 Uiso 1 1 calc R . . . .
C84 C 1.3344(10) -0.4303(11) 0.6704(8) 0.029(4) Uiso 1 1 d . . . . .
H84 H 1.338595 -0.486380 0.675423 0.035 Uiso 1 1 calc R . . . .
C85 C 1.3708(10) -0.3819(11) 0.6135(9) 0.028(4) Uiso 1 1 d . . . . .
C86 C 1.4098(9) -0.4158(9) 0.5572(8) 0.014(3) Uiso 1 1 d . . . . .
Cl86 Cl 1.4143(3) -0.5215(3) 0.5597(2) 0.0379(12) Uani 1 1 d . . . . .
C87 C 1.4456(10) -0.3632(10) 0.5060(8) 0.025(4) Uiso 1 1 d . . . . .
H87 H 1.475434 -0.384016 0.470877 0.031 Uiso 1 1 calc R . . . .
C88 C 1.4395(9) -0.2785(10) 0.5036(8) 0.017(3) Uiso 1 1 d . . . . .
Cl88 Cl 1.4765(3) -0.2212(3) 0.4330(2) 0.0308(11) Uani 1 1 d . . . . .
O89 O 1.3893(6) -0.1675(7) 0.5526(5) 0.026(3) Uiso 1 1 d . . . . .
C89 C 1.3960(9) -0.2452(10) 0.5521(8) 0.018(4) Uiso 1 1 d . . . . .
C90 C 1.3678(10) -0.2947(11) 0.6089(8) 0.025(4) Uiso 1 1 d . . . . .
K1 K 1.000000 0.000000 1.000000 0.0316(13) Uiso 1 2 d S T P . .
K2 K 1.500000 0.000000 0.500000 0.0335(13) Uiso 1 2 d S T P . .
N101 N 1.6954(9) -0.3667(9) 0.6956(7) 0.034(4) Uiso 1 1 d . . . . .
C101 C 1.7648(12) -0.2719(12) 0.7373(10) 0.050(5) Uiso 1 1 d . . . . .
H10A H 1.830933 -0.253679 0.725846 0.075 Uiso 1 1 calc R . . . .
H10B H 1.762302 -0.273722 0.787656 0.075 Uiso 1 1 calc R . . . .
C102 C 1.7325(12) -0.1970(13) 0.7166(10) 0.059(6) Uiso 1 1 d . . . . .
H10C H 1.764903 -0.170687 0.676690 0.088 Uiso 1 1 calc GR . . . .
H10D H 1.749994 -0.144589 0.756137 0.088 Uiso 1 1 calc GR . . . .
H10E H 1.662954 -0.229994 0.704479 0.088 Uiso 1 1 calc GR . . . .
C103 C 1.6877(11) -0.3746(13) 0.6177(9) 0.046(5) Uiso 1 1 d . . . . .
H10F H 1.656243 -0.337561 0.605041 0.069 Uiso 1 1 calc R . . . .
H10G H 1.646030 -0.442740 0.596369 0.069 Uiso 1 1 calc R . . . .
C104 C 1.7854(10) -0.3376(11) 0.5869(9) 0.040(5) Uiso 1 1 d . . . . .
H10H H 1.809871 -0.270080 0.582586 0.060 Uiso 1 1 calc GR . . . .
H10I H 1.776858 -0.376015 0.540897 0.060 Uiso 1 1 calc GR . . . .
H10J H 1.831131 -0.343302 0.617685 0.060 Uiso 1 1 calc GR . . . .
C105 C 1.5949(11) -0.4035(12) 0.7170(9) 0.040(5) Uiso 1 1 d . . . . .
H10K H 1.557235 -0.472543 0.696554 0.059 Uiso 1 1 calc R . . . .
H10L H 1.565167 -0.369573 0.696416 0.059 Uiso 1 1 calc R . . . .
C106 C 1.5862(11) -0.3923(11) 0.7951(9) 0.039(5) Uiso 1 1 d . . . . .
H10M H 1.633311 -0.404459 0.818769 0.059 Uiso 1 1 calc GR . . . .
H10N H 1.521520 -0.438420 0.803760 0.059 Uiso 1 1 calc GR . . . .
H10O H 1.598323 -0.326826 0.813015 0.059 Uiso 1 1 calc GR . . . .
C107 C 1.7357(11) -0.4312(12) 0.7168(10) 0.046(5) Uiso 1 1 d . . . . .
H10P H 1.728570 -0.434628 0.766726 0.070 Uiso 1 1 calc R . . . .
H10Q H 1.805060 -0.400514 0.711315 0.070 Uiso 1 1 calc R . . . .
C108 C 1.6854(12) -0.5383(12) 0.6733(10) 0.058(6) Uiso 1 1 d . . . . .
H10R H 1.615727 -0.567081 0.673993 0.087 Uiso 1 1 calc GR . . . .
H10S H 1.708398 -0.576813 0.694190 0.087 Uiso 1 1 calc GR . . . .
H10T H 1.701255 -0.536634 0.625198 0.087 Uiso 1 1 calc GR . . . .
N201 N 1.4184(9) -0.6226(10) 0.7124(8) 0.047(4) Uiso 1 1 d . . . . .
C201 C 1.4371(11) -0.6797(12) 0.7251(10) 0.039(5) Uiso 1 1 d . . . . .
C202 C 1.4636(12) -0.7514(12) 0.7462(10) 0.053(5) Uiso 1 1 d . . . . .
H20A H 1.533434 -0.721756 0.755117 0.080 Uiso 1 1 calc GR . . . .
H20B H 1.440273 -0.807315 0.708805 0.080 Uiso 1 1 calc GR . . . .
H20C H 1.434256 -0.771819 0.788563 0.080 Uiso 1 1 calc GR . . . .
C301 C 1.6484(13) -0.5778(13) 0.8963(12) 0.051(6) Uiso 1 1 d . . . . .
N301 N 1.6609(11) -0.5557(12) 0.8433(10) 0.071(5) Uiso 1 1 d . . . . .
C302 C 1.6335(13) -0.6080(14) 0.9631(11) 0.071(7) Uiso 1 1 d . . . . .
H30A H 1.653063 -0.657345 0.964497 0.106 Uiso 1 1 calc GR . . . .
H30B H 1.565540 -0.634406 0.970303 0.106 Uiso 1 1 calc GR . . . .
H30C H 1.671939 -0.552670 0.999847 0.106 Uiso 1 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 N11 2.525(10) . ?
Dy1 O19 2.305(9) . ?
Dy1 N21 2.559(12) . ?
Dy1 O29 2.318(11) . ?
Dy1 N31 2.537(11) . ?
Dy1 O39 2.314(9) . ?
Dy1 N41 2.601(12) . ?
Dy1 O49 2.275(9) . ?
Dy1 K1 3.9634(9) 1_645 ?
Dy2 N51 2.526(13) . ?
Dy2 O59 2.325(9) . ?
Dy2 N61 2.550(11) . ?
Dy2 O69 2.300(10) . ?
Dy2 N71 2.591(13) . ?
Dy2 O79 2.286(10) . ?
Dy2 N81 2.564(11) . ?
Dy2 O89 2.333(9) . ?
Dy2 K2 3.9783(9) . ?
N11 C12 1.301(18) . ?
N11 C20 1.404(17) . ?
C12 C13 1.391(19) . ?
C13 C14 1.341(19) . ?
C14 C15 1.39(2) . ?
C15 C16 1.43(2) . ?
C15 C20 1.427(19) . ?
C16 Cl16 1.729(14) . ?
C16 C17 1.37(2) . ?
C17 C18 1.374(18) . ?
C18 Cl18 1.747(16) . ?
C18 C19 1.419(19) . ?
O19 C19 1.280(15) . ?
C19 C20 1.43(2) . ?
N21 C22 1.312(17) . ?
N21 C30 1.350(18) . ?
C22 C23 1.450(18) . ?
C23 C24 1.40(2) . ?
C24 C25 1.39(2) . ?
C25 C26 1.41(2) . ?
C25 C30 1.419(18) . ?
C26 Cl26 1.760(14) . ?
C26 C27 1.36(2) . ?
C27 C28 1.392(18) . ?
C28 Cl28 1.733(15) . ?
C28 C29 1.42(2) . ?
Cl28 K1 3.400(4) 1_645 ?
O29 C29 1.301(15) . ?
O29 K1 2.821(10) 1_645 ?
C29 C30 1.40(2) . ?
N31 C32 1.325(18) . ?
N31 C40 1.392(16) . ?
C32 C33 1.412(19) . ?
C33 C34 1.392(19) . ?
C34 C35 1.41(2) . ?
C35 C36 1.42(2) . ?
C35 C40 1.417(19) . ?
C36 Cl36 1.752(14) . ?
C36 C37 1.38(2) . ?
C37 C38 1.390(19) . ?
C38 Cl38 1.761(16) . ?
C38 C39 1.380(18) . ?
C39 O39 1.304(15) . ?
C39 C40 1.43(2) . ?
O39 K1 2.965(9) 1_645 ?
N41 C42 1.284(17) . ?
N41 C50 1.373(15) . ?
C42 C43 1.387(19) . ?
C43 C44 1.374(17) . ?
C44 C45 1.357(18) . ?
C45 C46 1.412(18) . ?
C45 C50 1.435(19) . ?
C46 Cl46 1.760(16) . ?
C46 C47 1.39(2) . ?
C47 C48 1.375(18) . ?
C48 Cl48 1.763(14) . ?
C48 C49 1.402(16) . ?
Cl48 K1 3.725(4) 1_645 ?
O49 C49 1.300(15) . ?
O49 K1 3.048(11) 1_645 ?
C49 C50 1.451(19) . ?
N51 C52 1.321(19) . ?
N51 C60 1.389(16) . ?
C52 C53 1.39(2) . ?
C53 C54 1.376(19) . ?
C54 C55 1.39(2) . ?
C55 C56 1.413(18) . ?
C55 C60 1.427(19) . ?
C56 Cl56 1.748(16) . ?
C56 C57 1.37(2) . ?
C57 C58 1.42(2) . ?
C58 Cl58 1.705(15) . ?
C58 C59 1.368(18) . ?
O59 C59 1.299(16) . ?
C59 C60 1.45(2) . ?
N61 C62 1.320(16) . ?
N61 C70 1.346(17) . ?
C62 C63 1.418(16) . ?
C63 C64 1.350(18) . ?
C64 C65 1.378(19) . ?
C65 C66 1.384(19) . ?
C65 C70 1.406(17) . ?
C66 Cl66 1.725(13) . ?
C66 C67 1.435(19) . ?
C67 C68 1.392(18) . ?
C68 Cl68 1.739(15) . ?
C68 C69 1.40(2) . ?
Cl68 K2 3.698(4) . ?
O69 C69 1.307(14) . ?
O69 K2 2.910(8) . ?
C69 C70 1.477(18) . ?
N71 C72 1.296(16) . ?
N71 C80 1.389(17) . ?
C72 C73 1.44(2) . ?
C73 C74 1.365(19) . ?
C74 C75 1.407(19) . ?
C75 C76 1.43(2) . ?
C75 C80 1.40(2) . ?
C76 Cl76 1.733(18) . ?
C76 C77 1.38(2) . ?
C77 C78 1.40(2) . ?
C78 Cl78 1.756(15) . ?
C78 C79 1.37(2) . ?
O79 C79 1.307(18) . ?
O79 K2 3.247(10) . ?
C79 C80 1.399(19) . ?
N81 C82 1.314(16) . ?
N81 C90 1.388(16) . ?
C82 C83 1.384(17) . ?
C83 C84 1.386(17) . ?
C84 C85 1.423(19) . ?
C85 C86 1.436(18) . ?
C85 C90 1.435(19) . ?
C86 Cl86 1.737(13) . ?
C86 C87 1.363(18) . ?
C87 C88 1.413(17) . ?
C88 Cl88 1.728(14) . ?
C88 C89 1.375(17) . ?
Cl88 K2 3.436(4) . ?
O89 C89 1.298(14) . ?
O89 K2 2.790(9) . ?
C89 C90 1.417(19) . ?
N101 C101 1.49(2) . ?
N101 C103 1.51(2) . ?
N101 C105 1.512(16) . ?
N101 C107 1.545(18) . ?
C101 C102 1.61(2) . ?
C103 C104 1.550(18) . ?
C105 C106 1.53(2) . ?
C107 C108 1.60(2) . ?
N201 C201 1.144(18) . ?
C201 C202 1.50(2) . ?
C301 N301 1.13(2) . ?
C301 C302 1.44(2) . ?

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
N11 Dy1 N21 93.8(3) . . ?
N11 Dy1 N31 95.9(3) . . ?
N11 Dy1 N41 142.7(4) . . ?
N11 Dy1 K1 100.5(3) . 1_645 ?
O19 Dy1 N11 67.2(4) . . ?
O19 Dy1 N21 74.1(4) . . ?
O19 Dy1 O29 125.2(3) . . ?
O19 Dy1 N31 81.8(4) . . ?
O19 Dy1 O39 128.7(3) . . ?
O19 Dy1 N41 75.5(4) . . ?
O19 Dy1 K1 166.8(3) . 1_645 ?
N21 Dy1 N41 76.2(4) . . ?
N21 Dy1 K1 103.0(3) . 1_645 ?
O29 Dy1 N11 79.5(3) . . ?
O29 Dy1 N21 65.9(4) . . ?
O29 Dy1 N31 145.9(4) . . ?
O29 Dy1 N41 125.4(3) . . ?
O29 Dy1 K1 44.4(2) . 1_645 ?
N31 Dy1 N21 148.1(4) . . ?
N31 Dy1 N41 77.7(4) . . ?
N31 Dy1 K1 105.0(3) . 1_645 ?
O39 Dy1 N11 76.1(3) . . ?
O39 Dy1 N21 144.7(4) . . ?
O39 Dy1 O29 79.0(3) . . ?
O39 Dy1 N31 67.3(4) . . ?
O39 Dy1 N41 130.9(4) . . ?
O39 Dy1 K1 48.0(2) . 1_645 ?
N41 Dy1 K1 116.7(3) . 1_645 ?
O49 Dy1 N11 150.4(4) . . ?
O49 Dy1 O19 142.3(4) . . ?
O49 Dy1 N21 94.5(3) . . ?
O49 Dy1 O29 78.3(3) . . ?
O49 Dy1 N31 91.8(3) . . ?
O49 Dy1 O39 80.7(3) . . ?
O49 Dy1 N41 66.8(4) . . ?
O49 Dy1 K1 50.0(3) . 1_645 ?
N51 Dy2 N61 99.6(4) . . ?
N51 Dy2 N71 142.7(4) . . ?
N51 Dy2 N81 89.5(4) . . ?
N51 Dy2 K2 95.6(3) . . ?
O59 Dy2 N51 67.1(4) . . ?
O59 Dy2 N61 84.0(3) . . ?
O59 Dy2 N71 75.6(4) . . ?
O59 Dy2 N81 72.0(3) . . ?
O59 Dy2 O89 125.7(3) . . ?
O59 Dy2 K2 162.3(2) . . ?
N61 Dy2 N71 76.2(4) . . ?
N61 Dy2 N81 148.6(4) . . ?
N61 Dy2 K2 102.9(3) . . ?
O69 Dy2 N51 74.7(4) . . ?
O69 Dy2 O59 126.4(3) . . ?
O69 Dy2 N61 66.6(4) . . ?
O69 Dy2 N71 132.2(4) . . ?
O69 Dy2 N81 144.5(3) . . ?
O69 Dy2 O89 79.9(3) . . ?
O69 Dy2 K2 46.3(2) . . ?
N71 Dy2 K2 121.7(3) . . ?
O79 Dy2 N51 149.9(4) . . ?
O79 Dy2 O59 142.9(4) . . ?
O79 Dy2 N61 84.7(3) . . ?
O79 Dy2 O69 79.9(4) . . ?
O79 Dy2 N71 67.3(4) . . ?
O79 Dy2 N81 102.3(3) . . ?
O79 Dy2 O89 80.2(3) . . ?
O79 Dy2 K2 54.7(3) . . ?
N81 Dy2 N71 78.4(4) . . ?
N81 Dy2 K2 106.1(2) . . ?
O89 Dy2 N51 79.7(4) . . ?
O89 Dy2 N61 145.2(4) . . ?
O89 Dy2 N71 124.6(3) . . ?
O89 Dy2 N81 65.9(3) . . ?
O89 Dy2 K2 43.4(2) . . ?
C12 N11 Dy1 127.5(10) . . ?
C12 N11 C20 119.3(13) . . ?
C20 N11 Dy1 112.7(9) . . ?
N11 C12 C13 122.2(15) . . ?
C14 C13 C12 120.6(16) . . ?
C13 C14 C15 120.2(15) . . ?
C14 C15 C16 126.3(14) . . ?
C14 C15 C20 117.7(15) . . ?
C20 C15 C16 116.0(15) . . ?
C15 C16 Cl16 120.4(12) . . ?
C17 C16 C15 119.7(14) . . ?
C17 C16 Cl16 119.9(12) . . ?
C16 C17 C18 122.5(15) . . ?
C17 C18 Cl18 120.2(12) . . ?
C17 C18 C19 123.5(15) . . ?
C19 C18 Cl18 116.3(11) . . ?
C19 O19 Dy1 121.2(10) . . ?
C18 C19 C20 112.7(14) . . ?
O19 C19 C18 126.8(15) . . ?
O19 C19 C20 120.5(14) . . ?
N11 C20 C15 119.6(15) . . ?
N11 C20 C19 114.8(13) . . ?
C15 C20 C19 125.6(15) . . ?
C22 N21 Dy1 125.8(11) . . ?
C22 N21 C30 119.8(13) . . ?
C30 N21 Dy1 114.2(10) . . ?
N21 C22 C23 125.4(15) . . ?
C24 C23 C22 112.8(16) . . ?
C25 C24 C23 123.2(15) . . ?
C24 C25 C26 124.5(15) . . ?
C24 C25 C30 118.1(16) . . ?
C26 C25 C30 117.3(16) . . ?
C25 C26 Cl26 119.4(13) . . ?
C27 C26 C25 120.9(15) . . ?
C27 C26 Cl26 119.6(13) . . ?
C26 C27 C28 121.0(17) . . ?
C27 C28 Cl28 120.7(13) . . ?
C27 C28 C29 121.5(16) . . ?
C29 C28 Cl28 117.7(11) . . ?
C28 Cl28 K1 95.9(5) . 1_645 ?
Dy1 O29 K1 100.5(3) . 1_645 ?
C29 O29 Dy1 122.3(10) . . ?
C29 O29 K1 120.4(8) . 1_645 ?
O29 C29 C28 123.5(15) . . ?
O29 C29 C30 120.8(15) . . ?
C30 C29 C28 115.7(13) . . ?
N21 C30 C25 120.6(16) . . ?
N21 C30 C29 115.9(14) . . ?
C29 C30 C25 123.5(16) . . ?
C32 N31 Dy1 128.9(10) . . ?
C32 N31 C40 116.8(13) . . ?
C40 N31 Dy1 114.2(9) . . ?
N31 C32 C33 126.6(15) . . ?
C34 C33 C32 115.8(16) . . ?
C33 C34 C35 120.9(16) . . ?
C34 C35 C36 123.7(15) . . ?
C34 C35 C40 118.1(15) . . ?
C40 C35 C36 118.1(16) . . ?
C35 C36 Cl36 119.4(13) . . ?
C37 C36 C35 119.7(15) . . ?
C37 C36 Cl36 120.9(12) . . ?
C36 C37 C38 119.5(15) . . ?
C37 C38 Cl38 117.3(12) . . ?
C39 C38 C37 125.4(16) . . ?
C39 C38 Cl38 117.1(12) . . ?
C38 C39 C40 113.9(13) . . ?
O39 C39 C38 125.3(15) . . ?
O39 C39 C40 120.7(14) . . ?
Dy1 O39 K1 96.5(3) . 1_645 ?
C39 O39 Dy1 122.5(10) . . ?
C39 O39 K1 123.8(8) . 1_645 ?
N31 C40 C35 121.7(14) . . ?
N31 C40 C39 115.2(13) . . ?
C35 C40 C39 123.1(14) . . ?
C42 N41 Dy1 128.6(9) . . ?
C42 N41 C50 117.8(13) . . ?
C50 N41 Dy1 113.4(10) . . ?
N41 C42 C43 125.6(14) . . ?
C44 C43 C42 117.2(15) . . ?
C45 C44 C43 120.8(14) . . ?
C44 C45 C46 127.8(14) . . ?
C44 C45 C50 117.9(13) . . ?
C46 C45 C50 114.3(14) . . ?
C45 C46 Cl46 118.3(13) . . ?
C47 C46 C45 123.3(15) . . ?
C47 C46 Cl46 118.4(11) . . ?
C48 C47 C46 119.0(13) . . ?
C47 C48 Cl48 118.2(10) . . ?
C47 C48 C49 125.1(14) . . ?
C49 C48 Cl48 116.6(11) . . ?
C48 Cl48 K1 106.0(4) . 1_645 ?
Dy1 O49 K1 95.2(3) . 1_645 ?
C49 O49 Dy1 123.8(9) . . ?
C49 O49 K1 140.3(8) . 1_645 ?
C48 C49 C50 113.0(13) . . ?
O49 C49 C48 125.3(14) . . ?
O49 C49 C50 121.6(12) . . ?
N41 C50 C45 120.6(14) . . ?
N41 C50 C49 114.2(13) . . ?
C45 C50 C49 125.2(12) . . ?
C52 N51 Dy2 127.9(11) . . ?
C52 N51 C60 117.5(14) . . ?
C60 N51 Dy2 114.2(10) . . ?
N51 C52 C53 122.4(16) . . ?
C54 C53 C52 120.2(18) . . ?
C53 C54 C55 120.6(17) . . ?
C54 C55 C56 126.5(15) . . ?
C54 C55 C60 115.4(14) . . ?
C56 C55 C60 118.0(14) . . ?
C55 C56 Cl56 119.3(12) . . ?
C57 C56 C55 120.1(15) . . ?
C57 C56 Cl56 120.6(12) . . ?
C56 C57 C58 121.8(15) . . ?
C57 C58 Cl58 117.3(11) . . ?
C59 C58 C57 120.5(15) . . ?
C59 C58 Cl58 122.2(12) . . ?
C59 O59 Dy2 122.0(9) . . ?
C58 C59 C60 118.1(14) . . ?
O59 C59 C58 122.4(14) . . ?
O59 C59 C60 119.5(13) . . ?
N51 C60 C55 123.4(14) . . ?
N51 C60 C59 115.3(14) . . ?
C55 C60 C59 121.3(13) . . ?
C62 N61 Dy2 128.1(10) . . ?
C62 N61 C70 115.4(12) . . ?
C70 N61 Dy2 116.5(9) . . ?
N61 C62 C63 123.5(14) . . ?
C64 C63 C62 118.8(14) . . ?
C63 C64 C65 120.4(13) . . ?
C64 C65 C66 123.7(13) . . ?
C64 C65 C70 116.0(15) . . ?
C66 C65 C70 120.3(14) . . ?
C65 C66 Cl66 122.0(11) . . ?
C65 C66 C67 119.3(13) . . ?
C67 C66 Cl66 118.6(12) . . ?
C68 C67 C66 120.8(15) . . ?
C67 C68 Cl68 118.9(13) . . ?
C67 C68 C69 122.1(14) . . ?
C69 C68 Cl68 118.9(11) . . ?
C68 Cl68 K2 95.6(5) . . ?
Dy2 O69 K2 98.9(3) . . ?
C69 O69 Dy2 122.8(9) . . ?
C69 O69 K2 125.8(8) . . ?
C68 C69 C70 116.2(12) . . ?
O69 C69 C68 123.2(13) . . ?
O69 C69 C70 120.6(13) . . ?
N61 C70 C65 125.6(14) . . ?
N61 C70 C69 113.1(12) . . ?
C65 C70 C69 121.2(14) . . ?
C72 N71 Dy2 127.7(11) . . ?
C72 N71 C80 120.4(14) . . ?
C80 N71 Dy2 111.8(9) . . ?
N71 C72 C73 122.4(15) . . ?
C74 C73 C72 118.5(15) . . ?
C73 C74 C75 119.2(17) . . ?
C74 C75 C76 122.7(16) . . ?
C80 C75 C74 119.7(15) . . ?
C80 C75 C76 117.4(14) . . ?
C75 C76 Cl76 120.7(13) . . ?
C77 C76 C75 118.1(17) . . ?
C77 C76 Cl76 121.0(13) . . ?
C76 C77 C78 122.0(16) . . ?
C77 C78 Cl78 117.6(13) . . ?
C79 C78 C77 121.5(16) . . ?
C79 C78 Cl78 120.7(14) . . ?
Dy2 O79 K2 90.2(3) . . ?
C79 O79 Dy2 122.2(9) . . ?
C79 O79 K2 147.3(9) . . ?
C78 C79 C80 116.4(16) . . ?
O79 C79 C78 120.9(15) . . ?
O79 C79 C80 122.6(14) . . ?
N71 C80 C75 119.5(14) . . ?
N71 C80 C79 116.0(15) . . ?
C79 C80 C75 124.4(15) . . ?
C82 N81 Dy2 127.5(9) . . ?
C82 N81 C90 118.2(12) . . ?
C90 N81 Dy2 114.2(9) . . ?
N81 C82 C83 125.7(13) . . ?
C82 C83 C84 119.2(15) . . ?
C83 C84 C85 117.1(14) . . ?
C84 C85 C86 124.0(14) . . ?
C84 C85 C90 120.3(13) . . ?
C90 C85 C86 115.7(14) . . ?
C85 C86 Cl86 117.7(11) . . ?
C87 C86 C85 120.0(13) . . ?
C87 C86 Cl86 122.2(10) . . ?
C86 C87 C88 121.7(13) . . ?
C87 C88 Cl88 119.3(11) . . ?
C89 C88 C87 122.1(14) . . ?
C89 C88 Cl88 118.3(11) . . ?
C88 Cl88 K2 100.2(5) . . ?
Dy2 O89 K2 101.5(3) . . ?
C89 O89 Dy2 123.7(9) . . ?
C89 O89 K2 132.1(8) . . ?
C88 C89 C90 115.6(13) . . ?
O89 C89 C88 124.4(13) . . ?
O89 C89 C90 119.6(12) . . ?
N81 C90 C85 119.2(14) . . ?
N81 C90 C89 115.9(13) . . ?
C89 C90 C85 124.4(13) . . ?
Dy1 K1 Dy1 180.0 2_847 1_465 ?
Cl28 K1 Dy1 91.40(7) 2_847 2_847 ?
Cl28 K1 Dy1 88.60(7) 1_465 2_847 ?
Cl28 K1 Dy1 91.40(7) 1_465 1_465 ?
Cl28 K1 Dy1 88.60(7) 2_847 1_465 ?
Cl28 K1 Cl28 180.0 1_465 2_847 ?
Cl28 K1 Cl48 60.55(9) 1_465 2_847 ?
Cl28 K1 Cl48 119.45(9) 2_847 2_847 ?
Cl28 K1 Cl48 119.45(9) 1_465 1_465 ?
Cl28 K1 Cl48 60.55(9) 2_847 1_465 ?
O29 K1 Dy1 144.9(2) 1_465 2_847 ?
O29 K1 Dy1 35.1(2) 1_465 1_465 ?
O29 K1 Dy1 144.9(2) 2_847 1_465 ?
O29 K1 Dy1 35.1(2) 2_847 2_847 ?
O29 K1 Cl28 56.3(2) 1_465 1_465 ?
O29 K1 Cl28 56.3(2) 2_847 2_847 ?
O29 K1 Cl28 123.7(2) 2_847 1_465 ?
O29 K1 Cl28 123.7(2) 1_465 2_847 ?
O29 K1 O29 180.0 2_847 1_465 ?
O29 K1 O39 61.1(3) 2_847 2_847 ?
O29 K1 O39 118.9(3) 1_465 2_847 ?
O29 K1 O39 61.1(3) 1_465 1_465 ?
O29 K1 O39 118.9(3) 2_847 1_465 ?
O29 K1 Cl48 101.9(2) 2_847 2_847 ?
O29 K1 Cl48 78.1(2) 2_847 1_465 ?
O29 K1 Cl48 78.1(2) 1_465 2_847 ?
O29 K1 Cl48 101.9(2) 1_465 1_465 ?
O29 K1 O49 121.0(3) 1_465 2_847 ?
O29 K1 O49 121.0(3) 2_847 1_465 ?
O29 K1 O49 59.0(3) 2_847 2_847 ?
O29 K1 O49 59.0(3) 1_465 1_465 ?
O39 K1 Dy1 35.46(18) 2_847 2_847 ?
O39 K1 Dy1 35.46(18) 1_465 1_465 ?
O39 K1 Dy1 144.54(18) 1_465 2_847 ?
O39 K1 Dy1 144.54(18) 2_847 1_465 ?
O39 K1 Cl28 108.7(2) 2_847 2_847 ?
O39 K1 Cl28 71.3(2) 1_465 2_847 ?
O39 K1 Cl28 108.7(2) 1_465 1_465 ?
O39 K1 Cl28 71.3(2) 2_847 1_465 ?
O39 K1 O39 180.0 2_847 1_465 ?
O39 K1 Cl48 103.1(2) 2_847 2_847 ?
O39 K1 Cl48 76.9(2) 1_465 2_847 ?
O39 K1 Cl48 76.9(2) 2_847 1_465 ?
O39 K1 Cl48 103.1(2) 1_465 1_465 ?
O39 K1 O49 59.2(2) 2_847 2_847 ?
O39 K1 O49 120.8(2) 2_847 1_465 ?
O39 K1 O49 120.8(2) 1_465 2_847 ?
O39 K1 O49 59.2(2) 1_465 1_465 ?
Cl48 K1 Dy1 93.99(7) 2_847 1_465 ?
Cl48 K1 Dy1 86.01(7) 2_847 2_847 ?
Cl48 K1 Dy1 93.99(7) 1_465 2_847 ?
Cl48 K1 Dy1 86.01(7) 1_465 1_465 ?
Cl48 K1 Cl48 180.0 2_847 1_465 ?
O49 K1 Dy1 145.14(16) 1_465 2_847 ?
O49 K1 Dy1 34.86(16) 1_465 1_465 ?
O49 K1 Dy1 34.86(16) 2_847 2_847 ?
O49 K1 Dy1 145.14(16) 2_847 1_465 ?
O49 K1 Cl28 108.14(19) 1_465 1_465 ?
O49 K1 Cl28 108.14(19) 2_847 2_847 ?
O49 K1 Cl28 71.86(19) 1_465 2_847 ?
O49 K1 Cl28 71.86(19) 2_847 1_465 ?
O49 K1 Cl48 51.16(17) 2_847 2_847 ?
O49 K1 Cl48 51.16(17) 1_465 1_465 ?
O49 K1 Cl48 128.84(17) 2_847 1_465 ?
O49 K1 Cl48 128.84(17) 1_465 2_847 ?
O49 K1 O49 180.0 2_847 1_465 ?
Dy2 K2 Dy2 180.0 2_856 . ?
Cl68 K2 Dy2 86.73(6) 2_856 2_856 ?
Cl68 K2 Dy2 93.27(6) . 2_856 ?
Cl68 K2 Dy2 93.27(6) 2_856 . ?
Cl68 K2 Dy2 86.73(6) . . ?
Cl68 K2 Cl68 180.00(10) 2_856 . ?
O69 K2 Dy2 145.17(19) . 2_856 ?
O69 K2 Dy2 34.83(19) 2_856 2_856 ?
O69 K2 Dy2 145.17(19) 2_856 . ?
O69 K2 Dy2 34.83(19) . . ?
O69 K2 Cl68 127.8(2) . 2_856 ?
O69 K2 Cl68 127.8(2) 2_856 . ?
O69 K2 Cl68 52.2(2) . . ?
O69 K2 Cl68 52.2(2) 2_856 2_856 ?
O69 K2 O69 180.0 2_856 . ?
O69 K2 O79 56.8(3) 2_856 2_856 ?
O69 K2 O79 56.8(3) . . ?
O69 K2 O79 123.2(3) 2_856 . ?
O69 K2 O79 123.2(3) . 2_856 ?
O69 K2 Cl88 108.97(19) 2_856 2_856 ?
O69 K2 Cl88 71.03(19) . 2_856 ?
O69 K2 Cl88 71.03(19) 2_856 . ?
O69 K2 Cl88 108.97(19) . . ?
O79 K2 Dy2 144.93(17) . 2_856 ?
O79 K2 Dy2 35.07(17) 2_856 2_856 ?
O79 K2 Dy2 35.07(17) . . ?
O79 K2 Dy2 144.93(17) 2_856 . ?
O79 K2 Cl68 76.66(17) 2_856 . ?
O79 K2 Cl68 103.34(17) . . ?
O79 K2 Cl68 76.66(17) . 2_856 ?
O79 K2 Cl68 103.34(17) 2_856 2_856 ?
O79 K2 O79 180.0(4) 2_856 . ?
O79 K2 Cl88 70.95(18) . 2_856 ?
O79 K2 Cl88 109.05(18) . . ?
O79 K2 Cl88 109.05(18) 2_856 2_856 ?
O79 K2 Cl88 70.95(18) 2_856 . ?
Cl88 K2 Dy2 90.49(6) . . ?
Cl88 K2 Dy2 90.49(6) 2_856 2_856 ?
Cl88 K2 Dy2 89.51(6) 2_856 . ?
Cl88 K2 Dy2 89.51(6) . 2_856 ?
Cl88 K2 Cl68 62.72(10) 2_856 . ?
Cl88 K2 Cl68 62.72(10) . 2_856 ?
Cl88 K2 Cl68 117.28(10) 2_856 2_856 ?
Cl88 K2 Cl68 117.28(10) . . ?
Cl88 K2 Cl88 180.0 2_856 . ?
O89 K2 Dy2 144.93(18) . 2_856 ?
O89 K2 Dy2 144.93(18) 2_856 . ?
O89 K2 Dy2 35.07(18) . . ?
O89 K2 Dy2 35.07(18) 2_856 2_856 ?
O89 K2 Cl68 73.8(2) . 2_856 ?
O89 K2 Cl68 73.8(2) 2_856 . ?
O89 K2 Cl68 106.2(2) . . ?
O89 K2 Cl68 106.2(2) 2_856 2_856 ?
O89 K2 O69 117.1(3) 2_856 . ?
O89 K2 O69 62.9(3) 2_856 2_856 ?
O89 K2 O69 117.1(3) . 2_856 ?
O89 K2 O69 62.9(3) . . ?
O89 K2 O79 58.5(3) . . ?
O89 K2 O79 121.5(3) . 2_856 ?
O89 K2 O79 58.5(3) 2_856 2_856 ?
O89 K2 O79 121.5(3) 2_856 . ?
O89 K2 Cl88 124.3(2) . 2_856 ?
O89 K2 Cl88 55.7(2) 2_856 2_856 ?
O89 K2 Cl88 124.3(2) 2_856 . ?
O89 K2 Cl88 55.7(2) . . ?
O89 K2 O89 180.0(3) 2_856 . ?
C101 N101 C103 117.2(13) . . ?
C101 N101 C105 112.9(12) . . ?
C101 N101 C107 101.0(12) . . ?
C103 N101 C105 107.0(13) . . ?
C103 N101 C107 110.1(12) . . ?
C105 N101 C107 108.3(12) . . ?
N101 C101 C102 105.5(14) . . ?
N101 C103 C104 113.9(14) . . ?
N101 C105 C106 116.3(14) . . ?
N101 C107 C108 114.7(14) . . ?
N201 C201 C202 176(2) . . ?
N301 C301 C302 178(2) . . ?

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

data_sx321bb
_database_code_depnum_ccdc_archive 'CCDC 1557649'
_audit_update_record             
;
2017-06-21 deposited with the CCDC.
2017-10-17 downloaded from the CCDC.
;
_audit_creation_date             2017-06-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C36 H16 Cl8 Dy N4 O4, C8 H20 N'
_chemical_formula_sum            'C44 H36 Cl8 Dy N5 O4'
_chemical_formula_weight         1144.88
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   36.1061(11)
_cell_length_b                   11.5705(3)
_cell_length_c                   22.7831(6)
_cell_angle_alpha                90
_cell_angle_beta                 109.429(3)
_cell_angle_gamma                90
_cell_volume                     8976.0(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    10899
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      24.9980
_cell_measurement_theta_min      2.9852
_shelx_estimated_absorpt_T_max   0.721
_shelx_estimated_absorpt_T_min   0.550
_exptl_absorpt_coefficient_mu    2.191
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81827
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4552
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            32816
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.039
_diffrn_reflns_theta_max         25.039
_diffrn_reflns_theta_min         3.227
_diffrn_ambient_temperature      120.15
_diffrn_detector_area_resol_mean 16.0267
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6824
_reflns_number_total             7932
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.724
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         7932
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0276
_refine_ls_restrained_S_all      1.101
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0151P)²+1.7108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0527
_refine_ls_wR_factor_ref         0.0579
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H) groups, All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C111(H11A,H11B), C121(H12A,H12B), C131(H13A,H13B)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C17(H17), C22(H22), C23(H23), C24(H24),
 C27(H27), C32(H32), C33(H33), C34(H34), C37(H37), C42(H42), C43(H43), C44(H44),
  C47(H47)
2.c Idealised Me refined as rotating group:
 C102(H10C,H10D,H10E), C112(H11C,H11D,H11E), C122(H12C,H12D,H12E), C132(H13C,
 H13D,H13E)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.62584(2) 0.03734(2) 0.08144(2) 0.01584(6) Uani 1 1 d . . . . .
N11 N 0.65990(7) 0.1541(2) 0.18120(11) 0.0196(6) Uani 1 1 d . . . . .
C12 C 0.69777(9) 0.1788(3) 0.20617(15) 0.0246(8) Uani 1 1 d . . . . .
H12 H 0.715863 0.135078 0.193030 0.030 Uiso 1 1 calc R . . . .
C13 C 0.71304(10) 0.2670(3) 0.25156(14) 0.0238(8) Uani 1 1 d . . . . .
H13 H 0.740427 0.282174 0.267947 0.029 Uiso 1 1 calc R . . . .
C14 C 0.68704(9) 0.3286(3) 0.27053(15) 0.0237(8) Uani 1 1 d . . . . .
H14 H 0.696342 0.389029 0.300018 0.028 Uiso 1 1 calc R . . . .
C15 C 0.64629(9) 0.3043(3) 0.24707(14) 0.0198(8) Uani 1 1 d . . . . .
C16 C 0.61668(10) 0.3611(3) 0.26455(14) 0.0226(8) Uani 1 1 d . . . . .
Cl16 Cl 0.63017(3) 0.47549(7) 0.31759(4) 0.0306(2) Uani 1 1 d . . . . .
C17 C 0.57839(10) 0.3283(3) 0.24076(15) 0.0233(8) Uani 1 1 d . . . . .
H17 H 0.559218 0.365833 0.254204 0.028 Uiso 1 1 calc R . . . .
C18 C 0.56709(9) 0.2396(3) 0.19658(14) 0.0210(8) Uani 1 1 d . . . . .
Cl18 Cl 0.51770(2) 0.19919(8) 0.16889(4) 0.0286(2) Uani 1 1 d . . . . .
O19 O 0.58371(6) 0.10365(19) 0.13028(10) 0.0230(5) Uani 1 1 d . . . . .
C19 C 0.59333(9) 0.1822(3) 0.17336(14) 0.0189(7) Uani 1 1 d . . . . .
C20 C 0.63393(9) 0.2157(3) 0.20149(14) 0.0186(7) Uani 1 1 d . . . . .
N21 N 0.64564(7) -0.0964(2) 0.00312(11) 0.0185(6) Uani 1 1 d . . . . .
C22 C 0.62401(9) -0.1717(3) -0.03788(14) 0.0223(8) Uani 1 1 d . . . . .
H22 H 0.597497 -0.182978 -0.040177 0.027 Uiso 1 1 calc R . . . .
C23 C 0.63844(10) -0.2360(3) -0.07825(14) 0.0232(8) Uani 1 1 d . . . . .
H23 H 0.622126 -0.290754 -0.106079 0.028 Uiso 1 1 calc R . . . .
C24 C 0.67614(10) -0.2185(3) -0.07692(14) 0.0234(8) Uani 1 1 d . . . . .
H24 H 0.686039 -0.260407 -0.104374 0.028 Uiso 1 1 calc R . . . .
C25 C 0.70035(9) -0.1383(3) -0.03481(14) 0.0174(7) Uani 1 1 d . . . . .
C26 C 0.73962(9) -0.1113(3) -0.02945(14) 0.0203(8) Uani 1 1 d . . . . .
Cl26 Cl 0.76004(2) -0.17168(7) -0.08215(4) 0.0278(2) Uani 1 1 d . . . . .
C27 C 0.76142(9) -0.0377(3) 0.01565(15) 0.0217(8) Uani 1 1 d . . . . .
H27 H 0.787934 -0.022126 0.019313 0.026 Uiso 1 1 calc R . . . .
C28 C 0.74496(9) 0.0151(3) 0.05666(14) 0.0192(7) Uani 1 1 d . . . . .
Cl28 Cl 0.77354(2) 0.10636(8) 0.11502(4) 0.0316(2) Uani 1 1 d . . . . .
O29 O 0.68953(6) 0.05484(17) 0.08707(10) 0.0201(5) Uani 1 1 d . . . . .
C29 C 0.70611(9) 0.0000(3) 0.05274(14) 0.0165(7) Uani 1 1 d . . . . .
C30 C 0.68406(9) -0.0800(3) 0.00612(14) 0.0162(7) Uani 1 1 d . . . . .
N31 N 0.63071(7) 0.2549(2) 0.04545(11) 0.0198(6) Uani 1 1 d . . . . .
C32 C 0.65736(10) 0.3351(3) 0.07131(15) 0.0258(8) Uani 1 1 d . . . . .
H32 H 0.679221 0.313874 0.106392 0.031 Uiso 1 1 calc R . . . .
C33 C 0.65517(10) 0.4495(3) 0.04992(16) 0.0271(9) Uani 1 1 d . . . . .
H33 H 0.675331 0.503338 0.069613 0.032 Uiso 1 1 calc R . . . .
C34 C 0.62359(10) 0.4818(3) 0.00034(16) 0.0277(9) Uani 1 1 d . . . . .
H34 H 0.621118 0.559658 -0.013698 0.033 Uiso 1 1 calc R . . . .
C35 C 0.59445(10) 0.3998(3) -0.03032(15) 0.0220(8) Uani 1 1 d . . . . .
C36 C 0.56051(10) 0.4216(3) -0.08272(16) 0.0259(8) Uani 1 1 d . . . . .
Cl36 Cl 0.55050(3) 0.56256(8) -0.11161(5) 0.0372(2) Uani 1 1 d . . . . .
C37 C 0.53513(10) 0.3359(3) -0.11028(15) 0.0246(8) Uani 1 1 d . . . . .
H37 H 0.512713 0.352407 -0.145455 0.030 Uiso 1 1 calc R . . . .
C38 C 0.54188(9) 0.2221(3) -0.08691(15) 0.0229(8) Uani 1 1 d . . . . .
Cl38 Cl 0.50876(2) 0.11387(8) -0.12369(4) 0.0313(2) Uani 1 1 d . . . . .
O39 O 0.58121(6) 0.08818(18) -0.01253(9) 0.0199(5) Uani 1 1 d . . . . .
C39 C 0.57364(9) 0.1919(3) -0.03506(14) 0.0185(7) Uani 1 1 d . . . . .
C40 C 0.60003(9) 0.2852(3) -0.00603(14) 0.0188(7) Uani 1 1 d . . . . .
N41 N 0.57478(7) -0.1202(2) 0.05348(11) 0.0161(6) Uani 1 1 d . . . . .
C42 C 0.53899(9) -0.1157(3) 0.01122(14) 0.0225(8) Uani 1 1 d . . . . .
H42 H 0.530421 -0.044360 -0.009506 0.027 Uiso 1 1 calc R . . . .
C43 C 0.51336(9) -0.2095(3) -0.00438(14) 0.0237(8) Uani 1 1 d . . . . .
H43 H 0.488085 -0.202021 -0.034962 0.028 Uiso 1 1 calc R . . . .
C44 C 0.52537(9) -0.3127(3) 0.02530(14) 0.0222(8) Uani 1 1 d . . . . .
H44 H 0.508379 -0.377760 0.015213 0.027 Uiso 1 1 calc R . . . .
C45 C 0.56275(9) -0.3226(3) 0.07062(14) 0.0195(8) Uani 1 1 d . . . . .
C46 C 0.57827(10) -0.4244(3) 0.10399(14) 0.0214(8) Uani 1 1 d . . . . .
Cl46 Cl 0.54974(3) -0.54939(7) 0.09103(4) 0.0350(2) Uani 1 1 d . . . . .
C47 C 0.61545(10) -0.4276(3) 0.14597(14) 0.0222(8) Uani 1 1 d . . . . .
H47 H 0.625330 -0.497101 0.167765 0.027 Uiso 1 1 calc R . . . .
C48 C 0.63916(9) -0.3280(3) 0.15697(14) 0.0179(7) Uani 1 1 d . . . . .
Cl48 Cl 0.68634(2) -0.33890(7) 0.21122(4) 0.0297(2) Uani 1 1 d . . . . .
O49 O 0.64617(6) -0.12597(17) 0.14034(9) 0.0177(5) Uani 1 1 d . . . . .
C49 C 0.62627(9) -0.2221(3) 0.12873(14) 0.0169(7) Uani 1 1 d . . . . .
C50 C 0.58678(9) -0.2228(3) 0.08333(13) 0.0145(7) Uani 1 1 d . . . . .
N100 N 0.62658(8) 0.1130(2) -0.17890(12) 0.0269(7) Uani 1 1 d . . . . .
C101 C 0.59708(12) 0.0561(3) -0.15342(17) 0.0378(10) Uani 1 1 d . . . . .
H10A H 0.611390 0.026091 -0.111252 0.057 Uiso 1 1 calc R . . . .
H10B H 0.578565 0.115935 -0.149090 0.057 Uiso 1 1 calc R . . . .
C102 C 0.57358(13) -0.0417(3) -0.19226(19) 0.0486(12) Uani 1 1 d . . . . .
H10C H 0.559267 -0.013502 -0.234263 0.073 Uiso 1 1 calc GR . . . .
H10D H 0.554853 -0.070972 -0.173040 0.073 Uiso 1 1 calc GR . . . .
H10E H 0.591377 -0.104100 -0.194666 0.073 Uiso 1 1 calc GR . . . .
C111 C 0.65803(12) 0.0256(3) -0.17854(17) 0.0385(10) Uani 1 1 d . . . . .
H11A H 0.668707 -0.007605 -0.136175 0.058 Uiso 1 1 calc R . . . .
H11B H 0.645357 -0.038149 -0.207161 0.058 Uiso 1 1 calc R . . . .
C112 C 0.69201(11) 0.0700(3) -0.19678(17) 0.0404(10) Uani 1 1 d . . . . .
H11C H 0.682322 0.096774 -0.240038 0.061 Uiso 1 1 calc GR . . . .
H11D H 0.711095 0.007653 -0.192680 0.061 Uiso 1 1 calc GR . . . .
H11E H 0.704674 0.134267 -0.169472 0.061 Uiso 1 1 calc GR . . . .
C121 C 0.64398(10) 0.2162(3) -0.13764(14) 0.0257(8) Uani 1 1 d . . . . .
H12A H 0.659747 0.261710 -0.157586 0.039 Uiso 1 1 calc R . . . .
H12B H 0.622179 0.266082 -0.135519 0.039 Uiso 1 1 calc R . . . .
C122 C 0.66973(10) 0.1870(3) -0.07167(14) 0.0296(9) Uani 1 1 d . . . . .
H12C H 0.654604 0.141239 -0.051375 0.044 Uiso 1 1 calc GR . . . .
H12D H 0.678656 0.258573 -0.048233 0.044 Uiso 1 1 calc GR . . . .
H12E H 0.692532 0.142354 -0.072860 0.044 Uiso 1 1 calc GR . . . .
C131 C 0.60710(10) 0.1553(3) -0.24493(15) 0.0313(9) Uani 1 1 d . . . . .
H13A H 0.597439 0.087253 -0.272092 0.047 Uiso 1 1 calc R . . . .
H13B H 0.627227 0.193668 -0.258860 0.047 Uiso 1 1 calc R . . . .
C132 C 0.57314(10) 0.2383(3) -0.25434(15) 0.0349(9) Uani 1 1 d . . . . .
H13C H 0.552940 0.201710 -0.240641 0.052 Uiso 1 1 calc GR . . . .
H13D H 0.561945 0.258398 -0.298536 0.052 Uiso 1 1 calc GR . . . .
H13E H 0.582587 0.308596 -0.229927 0.052 Uiso 1 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 N11 2.577(3) . ?
Dy1 O19 2.295(2) . ?
Dy1 N21 2.634(2) . ?
Dy1 O29 2.269(2) . ?
Dy1 N31 2.672(3) . ?
Dy1 O39 2.287(2) . ?
Dy1 N41 2.519(2) . ?
Dy1 O49 2.292(2) . ?
N11 C12 1.326(4) . ?
N11 C20 1.375(4) . ?
C12 C13 1.427(4) . ?
C13 C14 1.359(4) . ?
C14 C15 1.416(4) . ?
C15 C16 1.420(4) . ?
C15 C20 1.421(4) . ?
C16 Cl16 1.748(3) . ?
C16 C17 1.360(4) . ?
C17 C18 1.400(4) . ?
C18 Cl18 1.746(3) . ?
C18 C19 1.397(4) . ?
O19 C19 1.297(4) . ?
C19 C20 1.444(4) . ?
N21 C22 1.325(4) . ?
N21 C30 1.379(4) . ?
C22 C23 1.410(4) . ?
C23 C24 1.366(4) . ?
C24 C25 1.410(4) . ?
C25 C26 1.417(4) . ?
C25 C30 1.427(4) . ?
C26 Cl26 1.750(3) . ?
C26 C27 1.365(4) . ?
C27 C28 1.403(4) . ?
C28 Cl28 1.742(3) . ?
C28 C29 1.387(4) . ?
O29 C29 1.298(3) . ?
C29 C30 1.434(4) . ?
N31 C32 1.325(4) . ?
N31 C40 1.364(4) . ?
C32 C33 1.403(4) . ?
C33 C34 1.364(5) . ?
C34 C35 1.417(4) . ?
C35 C36 1.420(5) . ?
C35 C40 1.425(4) . ?
C36 Cl36 1.751(3) . ?
C36 C37 1.355(4) . ?
C37 C38 1.410(4) . ?
C38 Cl38 1.742(3) . ?
C38 C39 1.390(4) . ?
O39 C39 1.299(3) . ?
C39 C40 1.446(4) . ?
N41 C42 1.331(4) . ?
N41 C50 1.365(4) . ?
C42 C43 1.394(4) . ?
C43 C44 1.370(4) . ?
C44 C45 1.405(4) . ?
C45 C46 1.413(4) . ?
C45 C50 1.414(4) . ?
C46 Cl46 1.743(3) . ?
C46 C47 1.365(4) . ?
C47 C48 1.408(4) . ?
C48 Cl48 1.745(3) . ?
C48 C49 1.390(4) . ?
O49 C49 1.302(3) . ?
C49 C50 1.457(4) . ?
N100 C101 1.522(4) . ?
N100 C111 1.519(4) . ?
N100 C121 1.520(4) . ?
N100 C131 1.514(4) . ?
C101 C102 1.511(4) . ?
C111 C112 1.510(5) . ?
C121 C122 1.519(4) . ?
C131 C132 1.516(5) . ?

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
N11 Dy1 N21 138.40(8) . . ?
N11 Dy1 N31 73.50(8) . . ?
O19 Dy1 N11 66.17(8) . . ?
O19 Dy1 N21 153.88(8) . . ?
O19 Dy1 N31 87.46(7) . . ?
O19 Dy1 N41 79.46(8) . . ?
N21 Dy1 N31 106.58(7) . . ?
O29 Dy1 N11 74.10(8) . . ?
O29 Dy1 O19 139.94(7) . . ?
O29 Dy1 N21 65.95(7) . . ?
O29 Dy1 N31 76.37(8) . . ?
O29 Dy1 O39 114.53(7) . . ?
O29 Dy1 N41 136.18(7) . . ?
O29 Dy1 O49 85.37(7) . . ?
O39 Dy1 N11 132.19(8) . . ?
O39 Dy1 O19 89.64(7) . . ?
O39 Dy1 N21 77.44(7) . . ?
O39 Dy1 N31 64.42(8) . . ?
O39 Dy1 N41 73.80(8) . . ?
O39 Dy1 O49 138.48(7) . . ?
N41 Dy1 N11 134.15(8) . . ?
N41 Dy1 N21 75.18(8) . . ?
N41 Dy1 N31 136.19(8) . . ?
O49 Dy1 N11 87.12(7) . . ?
O49 Dy1 O19 97.27(7) . . ?
O49 Dy1 N21 78.82(7) . . ?
O49 Dy1 N31 156.28(7) . . ?
O49 Dy1 N41 67.44(7) . . ?
C12 N11 Dy1 127.8(2) . . ?
C12 N11 C20 117.7(3) . . ?
C20 N11 Dy1 112.94(19) . . ?
N11 C12 C13 124.1(3) . . ?
C14 C13 C12 117.7(3) . . ?
C13 C14 C15 121.1(3) . . ?
C14 C15 C16 125.9(3) . . ?
C14 C15 C20 117.0(3) . . ?
C16 C15 C20 117.1(3) . . ?
C15 C16 Cl16 118.8(3) . . ?
C17 C16 C15 121.3(3) . . ?
C17 C16 Cl16 119.9(3) . . ?
C16 C17 C18 120.4(3) . . ?
C17 C18 Cl18 118.3(2) . . ?
C19 C18 C17 123.3(3) . . ?
C19 C18 Cl18 118.4(3) . . ?
C19 O19 Dy1 123.17(19) . . ?
C18 C19 C20 114.8(3) . . ?
O19 C19 C18 125.1(3) . . ?
O19 C19 C20 120.1(3) . . ?
N11 C20 C15 122.4(3) . . ?
N11 C20 C19 114.6(3) . . ?
C15 C20 C19 123.0(3) . . ?
C22 N21 Dy1 129.4(2) . . ?
C22 N21 C30 118.2(3) . . ?
C30 N21 Dy1 112.39(19) . . ?
N21 C22 C23 123.2(3) . . ?
C24 C23 C22 119.3(3) . . ?
C23 C24 C25 120.0(3) . . ?
C24 C25 C26 125.5(3) . . ?
C24 C25 C30 117.3(3) . . ?
C26 C25 C30 117.2(3) . . ?
C25 C26 Cl26 119.4(2) . . ?
C27 C26 C25 120.8(3) . . ?
C27 C26 Cl26 119.8(2) . . ?
C26 C27 C28 120.5(3) . . ?
C27 C28 Cl28 119.8(2) . . ?
C29 C28 C27 123.1(3) . . ?
C29 C28 Cl28 117.1(2) . . ?
C29 O29 Dy1 125.75(19) . . ?
C28 C29 C30 115.4(3) . . ?
O29 C29 C28 124.0(3) . . ?
O29 C29 C30 120.5(3) . . ?
N21 C30 C25 122.0(3) . . ?
N21 C30 C29 115.3(3) . . ?
C25 C30 C29 122.8(3) . . ?
C32 N31 Dy1 129.4(2) . . ?
C32 N31 C40 117.7(3) . . ?
C40 N31 Dy1 112.8(2) . . ?
N31 C32 C33 123.9(3) . . ?
C34 C33 C32 118.8(3) . . ?
C33 C34 C35 120.2(3) . . ?
C34 C35 C36 125.9(3) . . ?
C34 C35 C40 116.5(3) . . ?
C36 C35 C40 117.6(3) . . ?
C35 C36 Cl36 119.6(3) . . ?
C37 C36 C35 121.4(3) . . ?
C37 C36 Cl36 119.0(3) . . ?
C36 C37 C38 120.2(3) . . ?
C37 C38 Cl38 119.0(3) . . ?
C39 C38 C37 123.1(3) . . ?
C39 C38 Cl38 117.9(3) . . ?
C39 O39 Dy1 126.72(19) . . ?
C38 C39 C40 115.7(3) . . ?
O39 C39 C38 125.0(3) . . ?
O39 C39 C40 119.3(3) . . ?
N31 C40 C35 122.8(3) . . ?
N31 C40 C39 115.1(3) . . ?
C35 C40 C39 122.0(3) . . ?
C42 N41 Dy1 127.4(2) . . ?
C42 N41 C50 117.8(3) . . ?
C50 N41 Dy1 114.77(19) . . ?
N41 C42 C43 123.8(3) . . ?
C44 C43 C42 118.6(3) . . ?
C43 C44 C45 120.2(3) . . ?
C44 C45 C46 125.1(3) . . ?
C44 C45 C50 117.3(3) . . ?
C46 C45 C50 117.6(3) . . ?
C45 C46 Cl46 119.6(3) . . ?
C47 C46 C45 121.4(3) . . ?
C47 C46 Cl46 119.0(3) . . ?
C46 C47 C48 120.0(3) . . ?
C47 C48 Cl48 117.3(2) . . ?
C49 C48 C47 123.3(3) . . ?
C49 C48 Cl48 119.3(2) . . ?
C49 O49 Dy1 122.50(19) . . ?
C48 C49 C50 114.9(3) . . ?
O49 C49 C48 125.6(3) . . ?
O49 C49 C50 119.5(3) . . ?
N41 C50 C45 122.4(3) . . ?
N41 C50 C49 115.0(3) . . ?
C45 C50 C49 122.6(3) . . ?
C111 N100 C101 109.0(3) . . ?
C111 N100 C121 111.4(3) . . ?
C121 N100 C101 107.6(2) . . ?
C131 N100 C101 111.5(3) . . ?
C131 N100 C111 108.6(3) . . ?
C131 N100 C121 108.7(2) . . ?
C102 C101 N100 115.4(3) . . ?
C112 C111 N100 116.5(3) . . ?
C122 C121 N100 115.4(3) . . ?
N100 C131 C132 115.6(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 N11 C12 C13 163.2(2) . . . . ?
Dy1 N11 C20 C15 -166.3(2) . . . . ?
Dy1 N11 C20 C19 14.5(3) . . . . ?
Dy1 O19 C19 C18 168.1(2) . . . . ?
Dy1 O19 C19 C20 -12.3(4) . . . . ?
Dy1 N21 C22 C23 178.4(2) . . . . ?
Dy1 N21 C30 C25 -176.1(2) . . . . ?
Dy1 N21 C30 C29 3.4(3) . . . . ?
Dy1 O29 C29 C28 178.4(2) . . . . ?
Dy1 O29 C29 C30 0.0(4) . . . . ?
Dy1 N31 C32 C33 -175.6(2) . . . . ?
Dy1 N31 C40 C35 174.1(2) . . . . ?
Dy1 N31 C40 C39 -6.7(3) . . . . ?
Dy1 O39 C39 C38 -168.2(2) . . . . ?
Dy1 O39 C39 C40 13.2(4) . . . . ?
Dy1 N41 C42 C43 175.6(2) . . . . ?
Dy1 N41 C50 C45 -176.2(2) . . . . ?
Dy1 N41 C50 C49 3.2(3) . . . . ?
Dy1 O49 C49 C48 171.0(2) . . . . ?
Dy1 O49 C49 C50 -10.0(3) . . . . ?
N11 C12 C13 C14 0.5(5) . . . . ?
C12 N11 C20 C15 0.7(4) . . . . ?
C12 N11 C20 C19 -178.6(3) . . . . ?
C12 C13 C14 C15 1.4(5) . . . . ?
C13 C14 C15 C16 178.5(3) . . . . ?
C13 C14 C15 C20 -2.1(5) . . . . ?
C14 C15 C16 Cl16 2.5(4) . . . . ?
C14 C15 C16 C17 -177.7(3) . . . . ?
C14 C15 C20 N11 1.1(4) . . . . ?
C14 C15 C20 C19 -179.7(3) . . . . ?
C15 C16 C17 C18 -2.2(5) . . . . ?
C16 C15 C20 N11 -179.5(3) . . . . ?
C16 C15 C20 C19 -0.3(5) . . . . ?
C16 C17 C18 Cl18 178.7(2) . . . . ?
C16 C17 C18 C19 -1.6(5) . . . . ?
Cl16 C16 C17 C18 177.7(2) . . . . ?
C17 C18 C19 O19 -176.5(3) . . . . ?
C17 C18 C19 C20 4.0(5) . . . . ?
C18 C19 C20 N11 176.2(3) . . . . ?
C18 C19 C20 C15 -3.0(4) . . . . ?
Cl18 C18 C19 O19 3.3(4) . . . . ?
Cl18 C18 C19 C20 -176.3(2) . . . . ?
O19 C19 C20 N11 -3.3(4) . . . . ?
O19 C19 C20 C15 177.4(3) . . . . ?
C20 N11 C12 C13 -1.5(5) . . . . ?
C20 C15 C16 Cl16 -176.8(2) . . . . ?
C20 C15 C16 C17 3.0(5) . . . . ?
N21 C22 C23 C24 -1.9(5) . . . . ?
C22 N21 C30 C25 2.3(4) . . . . ?
C22 N21 C30 C29 -178.2(3) . . . . ?
C22 C23 C24 C25 1.0(5) . . . . ?
C23 C24 C25 C26 -179.1(3) . . . . ?
C23 C24 C25 C30 1.4(5) . . . . ?
C24 C25 C26 Cl26 5.1(5) . . . . ?
C24 C25 C26 C27 -175.7(3) . . . . ?
C24 C25 C30 N21 -3.1(5) . . . . ?
C24 C25 C30 C29 177.5(3) . . . . ?
C25 C26 C27 C28 -1.7(5) . . . . ?
C26 C25 C30 N21 177.3(3) . . . . ?
C26 C25 C30 C29 -2.2(5) . . . . ?
C26 C27 C28 Cl28 178.6(2) . . . . ?
C26 C27 C28 C29 -2.5(5) . . . . ?
Cl26 C26 C27 C28 177.4(2) . . . . ?
C27 C28 C29 O29 -174.5(3) . . . . ?
C27 C28 C29 C30 4.0(5) . . . . ?
C28 C29 C30 N21 178.9(3) . . . . ?
C28 C29 C30 C25 -1.6(5) . . . . ?
Cl28 C28 C29 O29 4.4(4) . . . . ?
Cl28 C28 C29 C30 -177.1(2) . . . . ?
O29 C29 C30 N21 -2.6(4) . . . . ?
O29 C29 C30 C25 176.9(3) . . . . ?
C30 N21 C22 C23 0.2(5) . . . . ?
C30 C25 C26 Cl26 -175.3(2) . . . . ?
C30 C25 C26 C27 3.9(5) . . . . ?
N31 C32 C33 C34 1.2(5) . . . . ?
C32 N31 C40 C35 -3.9(4) . . . . ?
C32 N31 C40 C39 175.3(3) . . . . ?
C32 C33 C34 C35 -2.5(5) . . . . ?
C33 C34 C35 C36 -179.2(3) . . . . ?
C33 C34 C35 C40 0.7(4) . . . . ?
C34 C35 C36 Cl36 -4.0(4) . . . . ?
C34 C35 C36 C37 177.3(3) . . . . ?
C34 C35 C40 N31 2.6(4) . . . . ?
C34 C35 C40 C39 -176.5(3) . . . . ?
C35 C36 C37 C38 0.4(5) . . . . ?
C36 C35 C40 N31 -177.5(3) . . . . ?
C36 C35 C40 C39 3.4(4) . . . . ?
C36 C37 C38 Cl38 -179.7(2) . . . . ?
C36 C37 C38 C39 1.1(5) . . . . ?
Cl36 C36 C37 C38 -178.2(2) . . . . ?
C37 C38 C39 O39 -179.1(3) . . . . ?
C37 C38 C39 C40 -0.4(5) . . . . ?
C38 C39 C40 N31 178.9(3) . . . . ?
C38 C39 C40 C35 -1.9(4) . . . . ?
Cl38 C38 C39 O39 1.8(4) . . . . ?
Cl38 C38 C39 C40 -179.5(2) . . . . ?
O39 C39 C40 N31 -2.3(4) . . . . ?
O39 C39 C40 C35 176.8(3) . . . . ?
C40 N31 C32 C33 1.9(5) . . . . ?
C40 C35 C36 Cl36 176.1(2) . . . . ?
C40 C35 C36 C37 -2.6(5) . . . . ?
N41 C42 C43 C44 0.1(5) . . . . ?
C42 N41 C50 C45 0.3(4) . . . . ?
C42 N41 C50 C49 179.7(3) . . . . ?
C42 C43 C44 C45 0.3(5) . . . . ?
C43 C44 C45 C46 -179.8(3) . . . . ?
C43 C44 C45 C50 -0.4(4) . . . . ?
C44 C45 C46 Cl46 -1.4(4) . . . . ?
C44 C45 C46 C47 177.9(3) . . . . ?
C44 C45 C50 N41 0.1(4) . . . . ?
C44 C45 C50 C49 -179.3(3) . . . . ?
C45 C46 C47 C48 0.3(5) . . . . ?
C46 C45 C50 N41 179.6(3) . . . . ?
C46 C45 C50 C49 0.2(4) . . . . ?
C46 C47 C48 Cl48 -179.9(2) . . . . ?
C46 C47 C48 C49 2.6(5) . . . . ?
Cl46 C46 C47 C48 179.6(2) . . . . ?
C47 C48 C49 O49 175.4(3) . . . . ?
C47 C48 C49 C50 -3.7(4) . . . . ?
C48 C49 C50 N41 -177.1(2) . . . . ?
C48 C49 C50 C45 2.3(4) . . . . ?
Cl48 C48 C49 O49 -2.1(4) . . . . ?
Cl48 C48 C49 C50 178.9(2) . . . . ?
O49 C49 C50 N41 3.8(4) . . . . ?
O49 C49 C50 C45 -176.8(3) . . . . ?
C50 N41 C42 C43 -0.4(4) . . . . ?
C50 C45 C46 Cl46 179.1(2) . . . . ?
C50 C45 C46 C47 -1.5(5) . . . . ?
C101 N100 C111 C112 -174.5(3) . . . . ?
C101 N100 C121 C122 67.7(4) . . . . ?
C101 N100 C131 C132 56.4(4) . . . . ?
C111 N100 C101 C102 -64.9(4) . . . . ?
C111 N100 C121 C122 -51.8(4) . . . . ?
C111 N100 C131 C132 176.5(3) . . . . ?
C121 N100 C101 C102 174.1(3) . . . . ?
C121 N100 C111 C112 -56.0(4) . . . . ?
C121 N100 C131 C132 -62.0(4) . . . . ?
C131 N100 C101 C102 55.0(4) . . . . ?
C131 N100 C111 C112 63.8(4) . . . . ?
C131 N100 C121 C122 -171.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
