# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2012


#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
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#  except for the purpose of generating routine backup copies 
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#  data retrieval see:
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#  Bona fide researchers may freely download Mercury and enCIFer
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data_p100626a
_database_code_depnum_ccdc_archive 'CCDC 860041'
#TrackingRef '8809_web_deposit_cif_file_0_GangXiong_1324907392.P100626A.cif'

_audit_creation_date             2011-12-26
_audit_creation_method           
;
Olex2 1.1
(compiled 2011.11.01 svn.r2039, GUI svn.r3906)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         
'0.25(C144 H104 Dy8 N24 O64 Zn4), 0.65(Cl O3), 1.35(Cl O4), 10.65(O)'
_chemical_formula_sum            'C36 H26 Cl2 Dy2 N6 O34 Zn'
_chemical_formula_weight         1547.90
_chemical_melting_point          ?
_chemical_oxdiff_formula         C12DY1ZN1
_chemical_oxdiff_usercomment     SPF100612A8
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   17.3797(4)
_cell_length_b                   16.6989(3)
_cell_length_c                   21.4272(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.578(2)
_cell_angle_gamma                90.00
_cell_volume                     5928.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7126
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1877
_cell_measurement_theta_min      2.4536
_exptl_absorpt_coefficient_mu    3.081
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_exptl_special_details           
;
?
;
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_unetI/netI     0.1505
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            28603
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.4536
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
1 omega -75.00 -39.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- -19.1472 123.0000 -93.0000 36

#__ type_ start__ end____ width___ exp.time_
2 omega -84.00 -1.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- -19.1472 -38.0000 68.0000 83

#__ type_ start__ end____ width___ exp.time_
3 omega 35.00 91.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- 18.6785 37.0000 60.0000 56

#__ type_ start__ end____ width___ exp.time_
4 omega 34.00 95.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- 18.6785 179.0000 0.0000 61
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0194235000
_diffrn_orient_matrix_UB_12      0.0294306000
_diffrn_orient_matrix_UB_13      -0.0137940000
_diffrn_orient_matrix_UB_21      0.0227025000
_diffrn_orient_matrix_UB_22      -0.0304078000
_diffrn_orient_matrix_UB_23      -0.0095648000
_diffrn_orient_matrix_UB_31      -0.0306458000
_diffrn_orient_matrix_UB_32      -0.0037375000
_diffrn_orient_matrix_UB_33      -0.0303736000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4185
_reflns_number_total             5235
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
;
_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         2.746
_refine_diff_density_min         -1.226
_refine_diff_density_rms         0.188
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         5235
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0421
_refine_ls_restrained_S_all      1.176
_refine_ls_shift/su_max          0.169
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0734P)^2^+17.3107P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1309
_refine_ls_wR_factor_ref         0.1343
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0574(4) 0.4334(4) 0.8491(3) 0.0152(15) Uani 1 1 d . . .
C3 C 0.2599(4) 0.5785(5) 0.8645(4) 0.0229(18) Uani 1 1 d . . .
H3 H 0.3033 0.6117 0.8656 0.028 Uiso 1 1 calc R . .
C5 C 0.2688(4) 0.5151(5) 0.9075(3) 0.0167(16) Uani 1 1 d . . .
C6 C 0.2023(4) 0.4677(4) 0.9035(3) 0.0165(16) Uani 1 1 d . . .
H6 H 0.2060 0.4256 0.9327 0.020 Uiso 1 1 calc R . .
C7 C -0.0089(4) -0.1314(4) 0.9226(3) 0.0149(15) Uani 1 1 d . . .
C8 C -0.0807(4) 0.3507(4) 0.8388(4) 0.0190(16) Uani 1 1 d . . .
H8 H -0.1287 0.3244 0.8363 0.023 Uiso 1 1 calc R . .
C9 C -0.0007(4) -0.1999(4) 0.8196(3) 0.0137(15) Uani 1 1 d . . .
H9 H 0.0114 -0.1512 0.8038 0.016 Uiso 1 1 calc R . .
C10 C -0.0140(4) -0.2048(4) 0.8810(3) 0.0138(15) Uani 1 1 d . . .
C11 C -0.0818(5) 0.4251(4) 0.8116(4) 0.0193(17) Uani 1 1 d . . .
H11 H -0.1313 0.4481 0.7896 0.023 Uiso 1 1 calc R . .
C12 C 0.0325(4) 0.6549(5) 0.6367(3) 0.0204(17) Uani 1 1 d . . .
H12 H 0.0426 0.6051 0.6215 0.025 Uiso 1 1 calc R . .
C13 C -0.0066(4) 0.3149(4) 0.8703(3) 0.0144(15) Uani 1 1 d . . .
C14 C -0.0059(4) -0.2684(4) 0.7836(3) 0.0118(15) Uani 1 1 d . . .
C15 C -0.0012(4) 0.2299(4) 0.8956(3) 0.0156(16) Uani 1 1 d . . .
C17 C 0.1299(4) 0.4835(4) 0.8554(3) 0.0138(15) Uani 1 1 d . . .
C18 C -0.0301(5) -0.2787(4) 0.9025(3) 0.0212(17) Uani 1 1 d . . .
H18 H -0.0392 -0.2840 0.9429 0.025 Uiso 1 1 calc R . .
C19 C 0.1841(4) 0.5916(5) 0.8191(4) 0.0191(17) Uani 1 1 d . . .
H19 H 0.1777 0.6355 0.7913 0.023 Uiso 1 1 calc R . .
C20 C 0.0621(4) 0.3568(5) 0.8758(3) 0.0175(16) Uani 1 1 d . . .
H20 H 0.1121 0.3345 0.8974 0.021 Uiso 1 1 calc R . .
C1A C 0.1536(4) 0.0059(4) 1.0405(3) 0.0168(16) Uani 1 1 d . . .
Cl1 Cl 0.2616(4) 0.3015(4) 0.8014(3) 0.0408(8) Uani 0.336(3) 1 d PD A 1
Cl1' Cl 0.3131(2) 0.3987(2) 0.72082(17) 0.0408(8) Uani 0.664(3) 1 d P A 2
Dy1 Dy 0.021679(19) 0.067702(18) 0.930914(14) 0.01023(14) Uani 1 1 d . . .
N3 N 0.0209(3) 0.6595(3) 0.6951(2) 0.0116(12) Uani 1 1 d . . .
N4 N 0.1214(4) 0.5450(3) 0.8138(3) 0.0138(13) Uani 1 1 d . . .
N7 N -0.0144(3) 0.4660(4) 0.8155(3) 0.0133(13) Uani 1 1 d . . .
O1 O 0.0304(3) 0.1384(3) 1.0268(2) 0.0193(11) Uani 1 1 d . . .
O2 O 0.1573(3) 0.0549(3) 0.9977(3) 0.0273(14) Uani 1 1 d . . .
O3 O 0.0896(3) -0.0269(3) 1.0414(2) 0.0196(11) Uani 1 1 d . . .
O4 O -0.0630(3) 0.1939(3) 0.8990(2) 0.0200(12) Uani 1 1 d . . .
O5 O 0.0672(3) 0.1974(3) 0.9115(3) 0.0253(13) Uani 1 1 d . . .
O6 O 0.0154(3) -0.0676(3) 0.9028(2) 0.0197(12) Uani 1 1 d . . .
O7 O -0.0639(4) 0.0607(3) 0.8216(3) 0.0414(18) Uani 1 1 d . . .
H7A H -0.0370 0.0712 0.7887 0.062 Uiso 1 1 d R . .
H7B H -0.0898 0.0088 0.8085 0.062 Uiso 1 1 d R . .
O8 O 0.1127(4) 0.0557(4) 0.8646(3) 0.0440(18) Uani 1 1 d . . .
H8A H 0.1013 0.0116 0.8368 0.066 Uiso 1 1 d R . .
H8B H 0.1109 0.0999 0.8378 0.066 Uiso 1 1 d R . .
O9 O 0.0857(5) 0.1801(4) 0.7684(3) 0.064(2) Uani 1 1 d . . .
O10 O 0.2896(9) 0.0932(10) 0.9224(8) 0.189(8) Uani 1 1 d . . .
O12 O 0.0879(9) 0.5255(12) 0.0118(7) 0.178(7) Uani 1 1 d . . .
O14 O 0.1940(5) 0.2483(6) 0.0330(4) 0.084(3) Uani 1 1 d . . .
O15 O 0.2839(12) 0.2196(6) 0.7996(9) 0.072(3) Uani 0.336(3) 1 d PD A 1
O17 O 0.3161(7) 0.3418(8) 0.8568(5) 0.0208(16) Uani 0.336(3) 1 d PD A 1
O18 O 0.2631(11) 0.3417(13) 0.7424(6) 0.105(6) Uani 0.336(3) 1 d PD A 1
O16 O 0.1815(7) 0.3059(15) 0.8079(11) 0.059(3) Uani 0.1682(15) 1 d PD A 3
O19 O 0.218(3) 0.280(3) 0.827(2) 0.059(3) Uani 0.1682(15) 1 d P A 4
O15' O 0.3166(7) 0.3132(7) 0.7061(6) 0.072(3) Uani 0.664(3) 1 d P A 2
O16' O 0.2896(7) 0.4094(7) 0.7778(5) 0.059(3) Uani 0.664(3) 1 d P A 2
O17' O 0.3922(5) 0.4369(5) 0.7303(4) 0.0208(16) Uani 0.664(3) 1 d P A 2
O18' O 0.2577(7) 0.4348(10) 0.6641(7) 0.105(6) Uani 0.664(3) 1 d P A 2
Zn2 Zn 0.0000 0.56101(6) 0.7500 0.0100(3) Uani 1 2 d S . .
O13 O 0.8568(10) 0.3023(13) 0.9752(8) 0.075(5) Uani 0.50 1 d PU . .
O13' O 0.8415(9) 0.2200(15) 0.9833(9) 0.105(8) Uani 0.50 1 d P . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.017(4) 0.012(4) 0.015(4) 0.001(3) 0.001(3) -0.004(3)
C3 0.007(4) 0.027(5) 0.030(4) 0.008(4) -0.001(3) -0.009(3)
C5 0.011(4) 0.020(4) 0.019(4) 0.002(3) 0.005(3) -0.002(3)
C6 0.010(4) 0.013(4) 0.021(4) 0.006(3) -0.002(3) -0.002(3)
C7 0.023(4) 0.012(4) 0.009(3) 0.000(3) 0.004(3) 0.006(3)
C8 0.012(4) 0.014(4) 0.030(4) 0.005(3) 0.004(3) -0.001(3)
C9 0.019(4) 0.008(3) 0.015(3) 0.004(3) 0.007(3) 0.001(3)
C10 0.018(4) 0.010(3) 0.011(3) 0.001(3) 0.001(3) 0.002(3)
C11 0.015(4) 0.014(4) 0.026(4) 0.007(3) 0.003(3) -0.001(3)
C12 0.029(4) 0.012(4) 0.021(4) 0.000(3) 0.011(3) 0.003(3)
C13 0.014(4) 0.012(4) 0.016(3) 0.003(3) 0.003(3) -0.004(3)
C14 0.016(4) 0.010(4) 0.008(3) 0.002(3) 0.001(3) 0.000(3)
C15 0.023(4) 0.011(4) 0.014(3) 0.002(3) 0.006(3) 0.001(3)
C17 0.013(4) 0.011(4) 0.017(4) -0.002(3) 0.005(3) -0.001(3)
C18 0.038(5) 0.016(4) 0.014(4) -0.002(3) 0.015(3) -0.004(4)
C19 0.014(4) 0.017(4) 0.023(4) 0.006(3) 0.000(3) -0.004(3)
C20 0.010(4) 0.019(4) 0.021(4) 0.006(3) 0.001(3) 0.005(3)
C1A 0.010(4) 0.017(4) 0.019(4) -0.005(3) -0.001(3) 0.000(3)
Cl1 0.0269(16) 0.052(2) 0.0441(18) 0.0058(16) 0.0114(14) -0.0029(15)
Cl1' 0.0269(16) 0.052(2) 0.0441(18) 0.0058(16) 0.0114(14) -0.0029(15)
Dy1 0.0132(2) 0.0076(2) 0.00932(19) 0.00069(13) 0.00242(13) -0.00074(14)
N3 0.018(3) 0.008(3) 0.009(3) 0.001(2) 0.004(2) 0.001(2)
N4 0.019(3) 0.010(3) 0.013(3) 0.002(2) 0.005(3) 0.001(3)
N7 0.009(3) 0.011(3) 0.015(3) 0.000(2) -0.002(2) -0.002(2)
O1 0.033(3) 0.013(3) 0.012(2) -0.002(2) 0.008(2) -0.005(2)
O2 0.015(3) 0.040(4) 0.024(3) 0.012(3) 0.000(2) 0.000(3)
O3 0.013(3) 0.015(3) 0.029(3) -0.003(2) 0.004(2) -0.001(2)
O4 0.016(3) 0.014(3) 0.028(3) 0.009(2) 0.003(2) -0.004(2)
O5 0.019(3) 0.016(3) 0.046(3) 0.014(3) 0.017(3) 0.005(2)
O6 0.036(3) 0.009(3) 0.016(3) -0.001(2) 0.011(2) 0.001(2)
O7 0.068(5) 0.027(4) 0.014(3) -0.001(3) -0.009(3) -0.002(3)
O8 0.072(5) 0.039(4) 0.037(4) -0.001(3) 0.040(4) 0.003(4)
O9 0.130(7) 0.041(4) 0.027(3) -0.006(3) 0.035(4) -0.023(5)
O10 0.178(14) 0.203(15) 0.246(17) -0.123(14) 0.156(14) -0.133(12)
O12 0.134(12) 0.28(2) 0.123(10) -0.069(12) 0.045(9) 0.027(13)
O14 0.064(6) 0.095(7) 0.092(7) -0.022(6) 0.023(5) -0.018(5)
O15 0.073(8) 0.051(7) 0.089(8) -0.022(6) 0.018(7) -0.018(6)
O17 0.021(4) 0.026(4) 0.015(3) -0.001(3) 0.003(3) -0.005(3)
O18 0.031(6) 0.165(16) 0.104(10) 0.075(10) -0.003(6) -0.011(7)
O16 0.078(8) 0.063(7) 0.062(7) -0.031(6) 0.057(6) -0.036(6)
O19 0.078(8) 0.063(7) 0.062(7) -0.031(6) 0.057(6) -0.036(6)
O15' 0.073(8) 0.051(7) 0.089(8) -0.022(6) 0.018(7) -0.018(6)
O16' 0.078(8) 0.063(7) 0.062(7) -0.031(6) 0.057(6) -0.036(6)
O17' 0.021(4) 0.026(4) 0.015(3) -0.001(3) 0.003(3) -0.005(3)
O18' 0.031(6) 0.165(16) 0.104(10) 0.075(10) -0.003(6) -0.011(7)
Zn2 0.0113(6) 0.0058(5) 0.0109(5) 0.000 0.0003(4) 0.000
O13 0.063(8) 0.104(10) 0.068(8) 0.001(8) 0.034(7) 0.009(7)
O13' 0.039(10) 0.16(2) 0.109(15) -0.081(16) 0.012(10) 0.029(12)

_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 C17 1.484(10) . ?
C1 C20 1.393(10) . ?
C1 N7 1.353(9) . ?
C3 C5 1.383(10) . ?
C3 C19 1.398(10) . ?
C5 C6 1.381(10) . ?
C5 C1A 1.508(10) 7_557 ?
C6 C17 1.389(10) . ?
C7 C10 1.503(9) . ?
C7 O1 1.255(8) 5_557 ?
C7 O6 1.264(9) . ?
C8 C11 1.370(10) . ?
C8 C13 1.396(10) . ?
C9 C10 1.405(9) . ?
C9 C14 1.367(10) . ?
C10 C18 1.375(10) . ?
C11 N7 1.336(9) . ?
C12 C18 1.383(10) 2_566 ?
C12 N3 1.329(9) . ?
C13 C15 1.511(10) . ?
C13 C20 1.358(10) . ?
C14 C14 1.514(12) 2_556 ?
C14 N3 1.340(9) 2_546 ?
C15 Dy1 2.808(7) . ?
C15 O4 1.253(8) . ?
C15 O5 1.256(9) . ?
C17 N4 1.339(9) . ?
C18 C12 1.383(10) 2_546 ?
C19 N4 1.317(9) . ?
C1A C5 1.508(10) 7_557 ?
C1A Dy1 2.930(7) . ?
C1A O2 1.245(9) . ?
C1A O3 1.245(9) . ?
Cl1 O15 1.426(8) . ?
Cl1 O17 1.443(8) . ?
Cl1 O18 1.439(8) . ?
Cl1' O15' 1.467(12) . ?
Cl1' O16' 1.411(10) . ?
Cl1' O17' 1.473(8) . ?
Cl1' O18' 1.436(13) . ?
Dy1 Dy1 3.9741(6) 5_557 ?
Dy1 O1 2.334(5) . ?
Dy1 O2 2.370(5) . ?
Dy1 O3 2.794(5) . ?
Dy1 O3 2.292(5) 5_557 ?
Dy1 O4 2.542(5) . ?
Dy1 O5 2.384(5) . ?
Dy1 O6 2.333(5) . ?
Dy1 O7 2.369(5) . ?
Dy1 O8 2.433(6) . ?
N3 C14 1.340(9) 2_566 ?
N3 Zn2 2.117(6) . ?
N4 Zn2 2.156(6) . ?
N7 Zn2 2.182(6) . ?
O1 C7 1.255(8) 5_557 ?
O3 Dy1 2.292(5) 5_557 ?
Zn2 N3 2.117(6) 2_556 ?
Zn2 N4 2.156(6) 2_556 ?
Zn2 N7 2.182(6) 2_556 ?
O13 O13' 1.42(3) . ?

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
C20 C1 C17 122.5(6) . . ?
N7 C1 C17 116.3(6) . . ?
N7 C1 C20 121.2(7) . . ?
C19 C3 C5 118.4(7) . . ?
C3 C5 C1A 124.4(6) . 7_557 ?
C6 C5 C3 118.3(7) . . ?
C6 C5 C1A 117.3(7) . 7_557 ?
C5 C6 C17 119.4(7) . . ?
O1 C7 C10 117.2(6) 5_557 . ?
O1 C7 O6 125.8(6) 5_557 . ?
O6 C7 C10 117.0(6) . . ?
C11 C8 C13 119.1(7) . . ?
C14 C9 C10 118.6(6) . . ?
C9 C10 C7 120.7(6) . . ?
C18 C10 C7 121.0(6) . . ?
C18 C10 C9 118.3(6) . . ?
N7 C11 C8 122.5(7) . . ?
N3 C12 C18 122.7(7) . 2_566 ?
C8 C13 C15 121.6(6) . . ?
C20 C13 C8 118.6(7) . . ?
C20 C13 C15 119.7(6) . . ?
C9 C14 C14 122.1(4) . 2_556 ?
N3 C14 C9 123.0(6) 2_546 . ?
N3 C14 C14 114.8(4) 2_546 2_556 ?
C13 C15 Dy1 172.1(5) . . ?
O4 C15 C13 120.7(6) . . ?
O4 C15 Dy1 64.9(4) . . ?
O4 C15 O5 122.3(7) . . ?
O5 C15 C13 117.0(6) . . ?
O5 C15 Dy1 57.6(4) . . ?
C6 C17 C1 121.0(6) . . ?
N4 C17 C1 116.8(6) . . ?
N4 C17 C6 122.2(6) . . ?
C10 C18 C12 119.1(6) . 2_546 ?
N4 C19 C3 123.3(7) . . ?
C13 C20 C1 119.8(7) . . ?
C5 C1A Dy1 169.2(5) 7_557 . ?
O2 C1A C5 117.5(6) . 7_557 ?
O2 C1A Dy1 51.7(4) . . ?
O2 C1A O3 123.1(7) . . ?
O3 C1A C5 119.4(7) . 7_557 ?
O3 C1A Dy1 71.4(4) . . ?
O15 Cl1 O17 110.7(7) . . ?
O15 Cl1 O18 110.3(8) . . ?
O18 Cl1 O17 108.9(7) . . ?
O15' Cl1' O17' 110.7(6) . . ?
O16' Cl1' O15' 110.6(8) . . ?
O16' Cl1' O17' 109.1(6) . . ?
O16' Cl1' O18' 112.5(9) . . ?
O18' Cl1' O15' 106.7(9) . . ?
O18' Cl1' O17' 107.1(7) . . ?
C15 Dy1 C1A 124.7(2) . . ?
C15 Dy1 Dy1 134.94(14) . 5_557 ?
C1A Dy1 Dy1 58.74(15) . 5_557 ?
O1 Dy1 C15 73.49(18) . . ?
O1 Dy1 C1A 69.26(19) . . ?
O1 Dy1 Dy1 66.96(12) . 5_557 ?
O1 Dy1 O2 74.07(19) . . ?
O1 Dy1 O3 69.01(16) . . ?
O1 Dy1 O4 72.29(16) . . ?
O1 Dy1 O5 75.94(18) . . ?
O1 Dy1 O7 138.6(2) . . ?
O1 Dy1 O8 132.4(2) . . ?
O2 Dy1 C15 106.5(2) . . ?
O2 Dy1 C1A 24.34(19) . . ?
O2 Dy1 Dy1 82.89(13) . 5_557 ?
O2 Dy1 O3 49.31(17) . . ?
O2 Dy1 O4 128.83(18) . . ?
O2 Dy1 O5 82.29(18) . . ?
O2 Dy1 O8 69.0(2) . . ?
O3 Dy1 C15 107.13(19) 5_557 . ?
O3 Dy1 C15 139.74(18) . . ?
O3 Dy1 C1A 24.97(17) . . ?
O3 Dy1 C1A 101.8(2) 5_557 . ?
O3 Dy1 Dy1 43.38(12) 5_557 5_557 ?
O3 Dy1 Dy1 34.29(10) . 5_557 ?
O3 Dy1 O1 76.00(18) 5_557 . ?
O3 Dy1 O2 125.46(18) 5_557 . ?
O3 Dy1 O3 77.67(17) 5_557 . ?
O3 Dy1 O4 81.39(17) 5_557 . ?
O3 Dy1 O5 131.71(18) 5_557 . ?
O3 Dy1 O6 78.55(18) 5_557 . ?
O3 Dy1 O7 85.1(2) 5_557 . ?
O3 Dy1 O8 151.1(2) 5_557 . ?
O4 Dy1 C15 26.49(18) . . ?
O4 Dy1 C1A 139.18(18) . . ?
O4 Dy1 Dy1 116.55(11) . 5_557 ?
O4 Dy1 O3 139.32(15) . . ?
O5 Dy1 C15 26.43(19) . . ?
O5 Dy1 C1A 103.84(19) . . ?
O5 Dy1 Dy1 142.56(13) . 5_557 ?
O5 Dy1 O3 125.70(17) . . ?
O5 Dy1 O4 52.86(16) . . ?
O5 Dy1 O8 70.4(2) . . ?
O6 Dy1 C15 150.79(19) . . ?
O6 Dy1 C1A 80.21(19) . . ?
O6 Dy1 Dy1 68.69(12) . 5_557 ?
O6 Dy1 O1 134.65(17) . . ?
O6 Dy1 O2 91.7(2) . . ?
O6 Dy1 O3 69.27(16) . . ?
O6 Dy1 O4 139.03(17) . . ?
O6 Dy1 O5 145.78(18) . . ?
O6 Dy1 O7 74.36(19) . . ?
O6 Dy1 O8 76.0(2) . . ?
O7 Dy1 C15 77.6(2) . . ?
O7 Dy1 C1A 151.8(2) . . ?
O7 Dy1 Dy1 120.34(17) . 5_557 ?
O7 Dy1 O2 143.7(2) . . ?
O7 Dy1 O3 142.07(18) . . ?
O7 Dy1 O4 68.61(18) . . ?
O7 Dy1 O5 90.8(2) . . ?
O7 Dy1 O8 75.1(3) . . ?
O8 Dy1 C15 89.2(2) . . ?
O8 Dy1 C1A 87.1(2) . . ?
O8 Dy1 Dy1 133.73(16) . 5_557 ?
O8 Dy1 O3 105.39(19) . . ?
O8 Dy1 O4 109.70(19) . . ?
C12 N3 C14 118.2(6) . 2_566 ?
C12 N3 Zn2 125.4(5) . . ?
C14 N3 Zn2 115.2(4) 2_566 . ?
C17 N4 Zn2 114.1(5) . . ?
C19 N4 C17 118.3(6) . . ?
C19 N4 Zn2 127.4(5) . . ?
C1 N7 Zn2 111.6(5) . . ?
C11 N7 C1 118.6(6) . . ?
C11 N7 Zn2 126.9(5) . . ?
C7 O1 Dy1 139.1(5) 5_557 . ?
C1A O2 Dy1 104.0(4) . . ?
C1A O3 Dy1 83.6(4) . . ?
C1A O3 Dy1 164.3(5) . 5_557 ?
Dy1 O3 Dy1 102.33(17) 5_557 . ?
C15 O4 Dy1 88.7(4) . . ?
C15 O5 Dy1 95.9(4) . . ?
C7 O6 Dy1 136.3(4) . . ?
N3 Zn2 N3 78.0(3) 2_556 . ?
N3 Zn2 N4 92.5(2) . 2_556 ?
N3 Zn2 N4 98.6(2) 2_556 2_556 ?
N3 Zn2 N4 92.5(2) 2_556 . ?
N3 Zn2 N4 98.6(2) . . ?
N3 Zn2 N7 174.2(2) 2_556 2_556 ?
N3 Zn2 N7 97.8(2) . 2_556 ?
N3 Zn2 N7 174.2(2) . . ?
N3 Zn2 N7 97.8(2) 2_556 . ?
N4 Zn2 N4 165.7(3) . 2_556 ?
N4 Zn2 N7 77.4(2) 2_556 2_556 ?
N4 Zn2 N7 92.1(2) . 2_556 ?
N4 Zn2 N7 92.1(2) 2_556 . ?
N4 Zn2 N7 77.4(2) . . ?
N7 Zn2 N7 86.7(3) . 2_556 ?