# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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 
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data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1407596'
_audit_update_record             
;
2015-06-18 deposited with the CCDC.
2015-12-03 downloaded from the CCDC.
;
_audit_creation_date             2015-06-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C50 H34 Dy2 N4 O12 S6'
_chemical_formula_sum            'C50 H34 Dy2 N4 O12 S6'
_chemical_formula_weight         1400.23
_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 0.0030 0.0020 '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'
Dy Dy -0.1890 4.4100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1250 0.1230 '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                   13.905(4)
_cell_length_b                   15.277(5)
_cell_length_c                   26.166(6)
_cell_angle_alpha                90
_cell_angle_beta                 111.889(12)
_cell_angle_gamma                90
_cell_volume                     5158(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17790
_cell_measurement_temperature    113
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      1.8
_shelx_estimated_absorpt_T_max   0.568
_shelx_estimated_absorpt_T_min   0.568
_exptl_absorpt_coefficient_mu    3.184
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.543
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2744
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            41908
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         1.825
_diffrn_ambient_temperature      113
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
scan:
	Number of images: 90
	           Slice: -110.0000 - 70.0000
	     Image width: 2.0000
	        Exp time: 2.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 0.0000
	             XTD: 45.0739
	          2theta: -19.9391
scan:
	Number of images: 70
	           Slice: -110.0000 - 30.0000
	     Image width: 2.0000
	        Exp time: 2.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 90.0000
	             XTD: 45.0739
	          2theta: -19.9391
scan:
	Number of images: 60
	           Slice: -110.0000 - 10.0000
	     Image width: 2.0000
	        Exp time: 2.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 180.0000
	             XTD: 45.0739
	          2theta: -19.9391
;
_diffrn_measurement_device       
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  
;
Rigaku Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.068279
_diffrn_orient_matrix_UB_12      -0.019153
_diffrn_orient_matrix_UB_13      0.017151
_diffrn_orient_matrix_UB_21      -0.012987
_diffrn_orient_matrix_UB_22      0.010392
_diffrn_orient_matrix_UB_23      0.063308
_diffrn_orient_matrix_UB_31      -0.005328
_diffrn_orient_matrix_UB_32      -0.040462
_diffrn_orient_matrix_UB_33      0.005549
_diffrn_radiation_monochromator  Multilayer
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7901
_reflns_number_total             9062
_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       
;
CrystalClear-SM Expert 2.0 r2 (Rigaku, 2009)
;
_computing_data_collection       
;
CrystalClear-SM Expert 2.0 r2 (Rigaku, 2009)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r2 (Rigaku, 2009)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.596
_refine_diff_density_min         -1.206
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     699
_refine_ls_number_reflns         9062
_refine_ls_number_restraints     62
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0377
_refine_ls_restrained_S_all      1.073
_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)+(0.0477P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0904
_refine_ls_wR_factor_ref         0.0937
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C9A-C1H
 1.42 with sigma of 0.02
 C8B-C11
 1.42 with sigma of 0.02
 S9B-C1H
 1.72 with sigma of 0.02
 C9A-C19
 1.38 with sigma of 0.02
 C19-C8B
 1.38 with sigma of 0.02
 C19-S9B
 1.72 with sigma of 0.02
 C19-S8A
 1.72 with sigma of 0.02
 S8A-C11
 1.72 with sigma of 0.02
 C1A-C9
 1.38 with sigma of 0.02
 C1A-C16
 1.42 with sigma of 0.02
 C9-C7
 1.38 with sigma of 0.02
 C7-C13
 1.42 with sigma of 0.02
 C18-C6B
 1.38 with sigma of 0.02
 C6B-C1D
 1.42 with sigma of 0.02
 C13A-C18
 1.38 with sigma of 0.02
 C13A-C1C
 1.42 with sigma of 0.02
 C1FA-C17
 1.36 with sigma of 0.02
 C3B-C12
 1.38 with sigma of 0.02
 C3B-C14
 1.42 with sigma of 0.02
 C12-S3A
 1.7 with sigma of 0.02
 C14-S3A
 1.7 with sigma of 0.02
 C8-C12
 1.38 with sigma of 0.02
 C8-C14
 2.33 with sigma of 0.02
 C12-S39
 1.7 with sigma of 0.02
 C8-C1E
 1.42 with sigma of 0.02
 S39-C1E
 1.7 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C1FB) \\sim Ueq, Uanis(C1FA) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C6A)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C1E) \\sim Ueq, Uanis(C14) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C7) = Uanis(C1A) = Uanis(S2) = Uanis(S1G)
Uanis(S9B) = Uanis(C9A) = Uanis(C8B) = Uanis(S8A)
Uanis(C6B) = Uanis(S6A)
Uanis(C1FB) = Uanis(C1FA)
Uanis(S11B) = Uanis(S11A)
Uanis(C3B) = Uanis(C8) = Uanis(S39) = Uanis(S3A)
4. Others
 Sof(C6B)=Sof(H6B)=Sof(S13B)=Sof(H1CA)=Sof(H1DA)=1-FVAR(1)
 Sof(H1C)=Sof(H1D)=Sof(S6A)=Sof(C13A)=Sof(H13A)=FVAR(1)
 Sof(C8B)=Sof(H8B)=Sof(S9B)=Sof(H1HA)=Sof(H11A)=1-FVAR(2)
 Sof(H1H)=Sof(H11)=Sof(S8A)=Sof(C9A)=Sof(H9A)=FVAR(2)
 Sof(H13B)=Sof(H16A)=Sof(C1A)=Sof(H1A)=Sof(S1G)=1-FVAR(3)
 Sof(C7)=Sof(H7)=Sof(S2)=Sof(H13)=Sof(H16)=FVAR(3)
 Sof(C3B)=Sof(H3B)=Sof(H14A)=Sof(H1EA)=Sof(S39)=1-FVAR(4)
 Sof(C8)=Sof(H8)=Sof(H14)=Sof(H1E)=Sof(S3A)=FVAR(4)
 Sof(S11B)=Sof(H17A)=Sof(C0AA)=Sof(H0AA)=Sof(C1FA)=Sof(H1FA)=1-FVAR(5)
 Sof(H17)=Sof(C1FB)=Sof(H1FB)=Sof(C6A)=Sof(H6A)=Sof(S11A)=FVAR(5)
5.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C32(H32), C33(H33), C34(H34), C35(H35), C37(H37),
 C38(H38), C39(H39), C40(H40), C42(H42), C43(H43), C44(H44), C45(H45), C47(H47),
  C48(H48), C49(H49), C50(H50), C6B(H6B), C8B(H8B), C17(H17A), C17(H17),
 C1C(H1CA), C1C(H1C), C1D(H1DA), C1D(H1D), C1FB(H1FB), C1H(H1HA), C1H(H1H),
 C0AA(H0AA), C11(H11A), C11(H11), C13A(H13A), C9A(H9A), C7(H7), C13(H13),
 C13(H13B), C16(H16), C16(H16A), C1A(H1A), C3B(H3B), C8(H8), C14(H14A),
 C14(H14), C1E(H1E), C1E(H1EA), C6A(H6A), C1FA(H1FA)
;
_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 0.08400(2) -0.26802(2) -0.17208(2) 0.02130(9) Uani 1 1 d . . . . .
Dy2 Dy 0.25661(2) -0.30137(2) 0.00484(2) 0.02409(9) Uani 1 1 d . . . . .
S1 S 0.22917(12) 0.05222(9) -0.11279(6) 0.0431(4) Uani 1 1 d . . . . .
O1 O 0.1345(3) -0.13106(19) -0.12894(14) 0.0259(8) Uani 1 1 d . . . . .
O2 O 0.2144(3) -0.1713(2) -0.04221(14) 0.0324(8) Uani 1 1 d . . . . .
O3 O 0.2623(3) -0.2790(2) -0.13558(15) 0.0304(8) Uani 1 1 d . . . . .
O4 O 0.3611(3) -0.2965(2) -0.04702(16) 0.0396(10) Uani 1 1 d . . . . .
O5 O 0.1112(3) -0.4137(2) -0.14551(14) 0.0296(8) Uani 1 1 d . . . . .
O6 O 0.1942(3) -0.4157(2) -0.05431(15) 0.0308(8) Uani 1 1 d . . . . .
O7 O 0.0177(3) -0.2720(2) -0.10346(14) 0.0272(8) Uani 1 1 d . . . . .
O8 O 0.0821(3) -0.2784(2) -0.01148(15) 0.0314(9) Uani 1 1 d . . . . .
O9 O 0.2750(3) -0.2317(2) 0.08987(15) 0.0363(9) Uani 1 1 d . . . . .
O10 O 0.3971(3) -0.2007(2) 0.05745(15) 0.0352(9) Uani 1 1 d . . . . .
O11 O -0.0638(3) -0.1841(2) -0.22316(14) 0.0322(9) Uani 1 1 d . . . . .
O12 O -0.0939(3) -0.3250(2) -0.21790(15) 0.0333(9) Uani 1 1 d . . . . .
N1 N 0.1398(3) -0.1781(2) -0.24010(16) 0.0271(10) Uani 1 1 d . . . . .
N2 N 0.0866(3) -0.3473(2) -0.25676(16) 0.0239(9) Uani 1 1 d . . . . .
N3 N 0.2176(3) -0.4292(3) 0.05930(16) 0.0263(10) Uani 1 1 d . . . . .
N4 N 0.4061(3) -0.3999(3) 0.05805(18) 0.0334(11) Uani 1 1 d . . . . .
C1 C 0.2574(4) -0.0350(3) -0.0677(2) 0.0265(11) Uani 1 1 d . . . . .
C2 C 0.3425(4) -0.0168(3) -0.0216(2) 0.0287(12) Uani 1 1 d . . . . .
H2 H 0.3704 -0.0566 0.0082 0.034 Uiso 1 1 calc R . . . .
C3 C 0.3844(4) 0.0658(4) -0.0225(3) 0.0429(15) Uani 1 1 d . . . . .
H3 H 0.4441 0.0878 0.0062 0.052 Uiso 1 1 calc R . . . .
C4 C 0.3308(4) 0.1115(3) -0.0688(3) 0.0432(15) Uani 1 1 d . . . . .
H4 H 0.3476 0.1693 -0.0760 0.052 Uiso 1 1 calc R . . . .
C5 C 0.1972(4) -0.1180(3) -0.0807(2) 0.0245(11) Uani 1 1 d . . . . .
C10 C 0.3478(4) -0.2793(3) -0.0957(2) 0.0274(12) Uani 1 1 d . . . . .
C15 C 0.1503(4) -0.4522(3) -0.1005(2) 0.0242(11) Uani 1 1 d . . . . .
C20 C 0.0201(4) -0.2490(3) -0.0570(2) 0.0262(12) Uani 1 1 d . . . . .
C25 C 0.3543(5) -0.1873(3) 0.0911(2) 0.0344(13) Uani 1 1 d . . . . .
C30 C -0.1261(4) -0.2478(3) -0.2306(2) 0.0286(12) Uani 1 1 d . . . . .
C31 C 0.1153(4) -0.3085(3) -0.2952(2) 0.0233(11) Uani 1 1 d . . . . .
C32 C 0.1053(4) -0.3495(3) -0.3441(2) 0.0305(12) Uani 1 1 d . . . . .
H32 H 0.1241 -0.3198 -0.3710 0.037 Uiso 1 1 calc R . . . .
C33 C 0.0676(4) -0.4343(3) -0.3534(2) 0.0327(13) Uani 1 1 d . . . . .
H33 H 0.0597 -0.4634 -0.3868 0.039 Uiso 1 1 calc R . . . .
C34 C 0.0419(4) -0.4754(3) -0.3140(2) 0.0325(13) Uani 1 1 d . . . . .
H34 H 0.0197 -0.5347 -0.3187 0.039 Uiso 1 1 calc R . . . .
C35 C 0.0486(4) -0.4300(3) -0.2677(2) 0.0308(12) Uani 1 1 d . . . . .
H35 H 0.0254 -0.4577 -0.2419 0.037 Uiso 1 1 calc R . . . .
C36 C 0.1564(4) -0.2182(3) -0.28210(19) 0.0256(11) Uani 1 1 d . . . . .
C37 C 0.2094(5) -0.1771(3) -0.3111(2) 0.0436(15) Uani 1 1 d . . . . .
H37 H 0.2234 -0.2074 -0.3393 0.052 Uiso 1 1 calc R . . . .
C38 C 0.2409(5) -0.0925(4) -0.2987(2) 0.0541(18) Uani 1 1 d . . . . .
H38 H 0.2791 -0.0641 -0.3174 0.065 Uiso 1 1 calc R . . . .
C39 C 0.2172(5) -0.0483(4) -0.2590(2) 0.0527(18) Uani 1 1 d . . . . .
H39 H 0.2337 0.0119 -0.2518 0.063 Uiso 1 1 calc R . . . .
C40 C 0.1690(5) -0.0941(3) -0.2301(2) 0.0394(15) Uani 1 1 d . . . . .
H40 H 0.1557 -0.0646 -0.2014 0.047 Uiso 1 1 calc R . . . .
C41 C 0.2903(4) -0.4898(3) 0.0836(2) 0.0252(11) Uani 1 1 d . . . . .
C42 C 0.2683(4) -0.5659(3) 0.1071(2) 0.0322(13) Uani 1 1 d . . . . .
H42 H 0.3212 -0.6075 0.1244 0.039 Uiso 1 1 calc R . . . .
C43 C 0.1685(4) -0.5794(3) 0.1048(2) 0.0360(13) Uani 1 1 d . . . . .
H43 H 0.1520 -0.6299 0.1211 0.043 Uiso 1 1 calc R . . . .
C44 C 0.0936(4) -0.5186(4) 0.0785(2) 0.0426(15) Uani 1 1 d . . . . .
H44 H 0.0238 -0.5276 0.0751 0.051 Uiso 1 1 calc R . . . .
C45 C 0.1210(4) -0.4437(3) 0.0571(2) 0.0342(13) Uani 1 1 d . . . . .
H45 H 0.0693 -0.4010 0.0401 0.041 Uiso 1 1 calc R . . . .
C46 C 0.3969(4) -0.4726(3) 0.0838(2) 0.0272(12) Uani 1 1 d . . . . .
C47 C 0.4801(4) -0.5271(3) 0.1103(2) 0.0419(15) Uani 1 1 d . . . . .
H47 H 0.4708 -0.5779 0.1289 0.050 Uiso 1 1 calc R . . . .
C48 C 0.5771(4) -0.5077(3) 0.1095(3) 0.0503(18) Uani 1 1 d . . . . .
H48 H 0.6345 -0.5453 0.1267 0.060 Uiso 1 1 calc R . . . .
C49 C 0.5876(4) -0.4329(4) 0.0834(3) 0.0503(17) Uani 1 1 d . . . . .
H49 H 0.6531 -0.4175 0.0824 0.060 Uiso 1 1 calc R . . . .
C50 C 0.5019(4) -0.3793(4) 0.0582(2) 0.0420(15) Uani 1 1 d . . . . .
H50 H 0.5102 -0.3271 0.0406 0.050 Uiso 1 1 calc R . . . .
C6B C 0.167(2) -0.6081(11) -0.0579(8) 0.0296(8) Uani 0.329(6) 1 d D . P A 2
H6B H 0.1853 -0.5899 -0.0207 0.036 Uiso 0.329(6) 1 calc R . P A 2
C8B C -0.0690(14) -0.1469(11) -0.0060(7) 0.0338(6) Uani 0.452(4) 1 d D . P B 2
H8B H -0.0368 -0.1676 0.0307 0.041 Uiso 0.452(4) 1 calc R . P B 2
S9B S -0.1476(4) -0.1451(4) -0.10999(15) 0.0338(6) Uani 0.452(4) 1 d D . P B 2
S11B S -0.3234(8) -0.2997(6) -0.2822(6) 0.0604(11) Uani 0.283(9) 1 d . . P C 2
S13B S 0.1026(13) -0.6009(5) -0.1584(6) 0.031(2) Uani 0.329(6) 1 d . . P A 2
C17 C -0.2863(4) -0.1459(3) -0.2716(2) 0.0293(12) Uani 1 1 d D . . . .
H17A H -0.2460 -0.0941 -0.2667 0.035 Uiso 0.283(9) 1 calc R . P C 2
H17 H -0.2536 -0.0917 -0.2728 0.035 Uiso 0.717(9) 1 calc R . P C 1
C18 C 0.1448(3) -0.5498(3) -0.1010(2) 0.0223(11) Uani 1 1 d D . . . .
C19 C -0.0546(4) -0.1817(3) -0.0550(2) 0.0280(12) Uani 1 1 d D . . . .
C1B C -0.2388(4) -0.2278(3) -0.2541(2) 0.0333(13) Uani 1 1 d . . . . .
C1C C 0.1228(4) -0.6966(3) -0.1292(3) 0.0376(14) Uani 1 1 d D . . . .
H1CA H 0.1098 -0.7486 -0.1506 0.045 Uiso 0.329(6) 1 calc R . P A 2
H1C H 0.1052 -0.7454 -0.1534 0.045 Uiso 0.671(6) 1 calc R . P A 1
C1D C 0.1583(5) -0.7005(4) -0.0742(3) 0.0454(16) Uani 1 1 d D . . . .
H1DA H 0.1742 -0.7508 -0.0513 0.054 Uiso 0.329(6) 1 calc R . P A 2
H1D H 0.1705 -0.7548 -0.0553 0.054 Uiso 0.671(6) 1 calc R . P A 1
C1FB C -0.4010(8) -0.1635(8) -0.2880(5) 0.042(3) Uani 0.717(9) 1 d . U P C 1
H1FB H -0.4512 -0.1186 -0.3024 0.050 Uiso 0.717(9) 1 calc R . P C 1
C1H C -0.1911(5) -0.0762(4) -0.0791(3) 0.0554(19) Uani 1 1 d D . . . .
H1HA H -0.2482 -0.0396 -0.0986 0.066 Uiso 0.452(4) 1 calc R . P B 2
H1H H -0.2497 -0.0434 -0.1014 0.066 Uiso 0.548(4) 1 calc R . P B 1
C0AA C -0.417(2) -0.2254(16) -0.3040(10) 0.045(7) Uani 0.283(9) 1 d . U P C 2
H0AA H -0.4873 -0.2416 -0.3220 0.054 Uiso 0.283(9) 1 calc R . P C 2
C11 C -0.1447(5) -0.0717(4) -0.0252(3) 0.066(2) Uani 1 1 d D . . . .
H11A H -0.1567 -0.0284 -0.0022 0.080 Uiso 0.452(4) 1 calc R . P B 2
H11 H -0.1687 -0.0330 -0.0041 0.080 Uiso 0.548(4) 1 calc R . P B 1
S6A S 0.1796(3) -0.60733(15) -0.04115(9) 0.0296(8) Uani 0.671(6) 1 d . . P A 1
C13A C 0.116(2) -0.6078(10) -0.1451(8) 0.040(8) Uani 0.671(6) 1 d D . P A 1
H13A H 0.0941 -0.5894 -0.1824 0.048 Uiso 0.671(6) 1 calc R . P A 1
S8A S -0.0469(3) -0.1332(2) 0.00359(14) 0.0338(6) Uani 0.548(4) 1 d D . P B 1
C9A C -0.1372(12) -0.1389(11) -0.0971(6) 0.0338(6) Uani 0.548(4) 1 d D . P B 1
H9A H -0.1547 -0.1519 -0.1350 0.041 Uiso 0.548(4) 1 calc R . P B 1
C7 C 0.4580(15) -0.2225(17) -0.1537(9) 0.0449(6) Uani 0.311(4) 1 d D . P D 1
H7 H 0.4041 -0.1994 -0.1850 0.054 Uiso 0.311(4) 1 calc R . P D 1
S2 S 0.5590(4) -0.2661(4) -0.0531(2) 0.0449(6) Uani 0.311(4) 1 d . . P D 1
C9 C 0.4417(4) -0.2597(3) -0.1076(2) 0.0308(13) Uani 1 1 d D . . . .
C13 C 0.5685(5) -0.2241(4) -0.1471(3) 0.060(2) Uani 1 1 d D . . . .
H13 H 0.5969 -0.2200 -0.1749 0.072 Uiso 0.311(4) 1 calc R . P D 1
H13B H 0.6036 -0.2085 -0.1707 0.072 Uiso 0.689(4) 1 calc R . P D 2
C16 C 0.6192(6) -0.2326(4) -0.0923(4) 0.060(2) Uani 1 1 d D . . . .
H16 H 0.6909 -0.2189 -0.0764 0.071 Uiso 0.311(4) 1 calc R . P D 1
H16A H 0.6914 -0.2316 -0.0710 0.071 Uiso 0.689(4) 1 calc R . P D 2
C1A C 0.5397(7) -0.2427(6) -0.0767(4) 0.0449(6) Uani 0.689(4) 1 d D . P D 2
H1A H 0.5549 -0.2370 -0.0383 0.054 Uiso 0.689(4) 1 calc R . P D 2
S1G S 0.4378(2) -0.24259(17) -0.17190(11) 0.0449(6) Uani 0.689(4) 1 d . . P D 2
C3B C 0.4650(19) -0.0444(16) 0.1386(10) 0.0476(6) Uani 0.424(4) 1 d D . P E 2
H3B H 0.4922 -0.0297 0.1114 0.057 Uiso 0.424(4) 1 calc R . P E 2
C8 C 0.3627(10) -0.0781(9) 0.1733(5) 0.0476(6) Uani 0.576(4) 1 d D . P E 1
H8 H 0.2943 -0.0861 0.1723 0.057 Uiso 0.576(4) 1 calc R . P E 1
C12 C 0.3929(4) -0.1176(4) 0.1326(2) 0.0448(15) Uani 1 1 d D . . . .
C14 C 0.4906(6) 0.0034(5) 0.1900(3) 0.082(2) Uani 1 1 d D U . . .
H14A H 0.5404 0.0487 0.2040 0.098 Uiso 0.424(4) 1 calc R . P E 2
H14 H 0.5345 0.0523 0.2044 0.098 Uiso 0.576(4) 1 calc R . P E 1
C1E C 0.4294(7) -0.0302(5) 0.2124(4) 0.098(3) Uani 1 1 d D U . . .
H1E H 0.4323 -0.0219 0.2490 0.117 Uiso 0.576(4) 1 calc R . P E 1
H1EA H 0.4293 -0.0082 0.2464 0.117 Uiso 0.424(4) 1 calc R . P E 2
S39 S 0.3598(4) -0.1037(3) 0.18373(17) 0.0476(6) Uani 0.424(4) 1 d D . P E 2
S3A S 0.4825(3) -0.0487(3) 0.13383(19) 0.0476(6) Uani 0.576(4) 1 d D . P E 1
C6A C -0.4278(7) -0.2437(6) -0.2814(4) 0.042(2) Uani 0.717(9) 1 d . U P C 1
H6A H -0.4977 -0.2612 -0.2904 0.051 Uiso 0.717(9) 1 calc R . P C 1
S11A S -0.3279(3) -0.3127(2) -0.2558(2) 0.0604(11) Uani 0.717(9) 1 d . . P C 1
C1FA C -0.3880(14) -0.143(2) -0.2949(13) 0.042(3) Uani 0.283(9) 1 d D U P C 2
H1FA H -0.4312 -0.0928 -0.3034 0.050 Uiso 0.283(9) 1 calc R . P C 2


_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 O1 2.357(3) . ?
Dy1 O3 2.306(4) . ?
Dy1 O5 2.321(3) . ?
Dy1 O7 2.305(3) . ?
Dy1 O11 2.368(3) . ?
Dy1 O12 2.471(3) . ?
Dy1 N1 2.586(4) . ?
Dy1 N2 2.537(4) . ?
Dy1 C30 2.764(5) . ?
Dy2 O2 2.296(3) . ?
Dy2 O4 2.330(3) . ?
Dy2 O6 2.280(3) . ?
Dy2 O8 2.328(3) . ?
Dy2 O9 2.392(3) . ?
Dy2 O10 2.464(3) . ?
Dy2 N3 2.591(4) . ?
Dy2 N4 2.523(4) . ?
Dy2 C25 2.773(5) . ?
S1 C1 1.725(5) . ?
S1 C4 1.711(6) . ?
O1 C5 1.254(6) . ?
O2 C5 1.247(5) . ?
O3 C10 1.256(6) . ?
O4 C10 1.245(6) . ?
O5 C15 1.246(6) . ?
O6 C15 1.262(6) . ?
O7 C20 1.255(6) . ?
O8 C20 1.264(6) . ?
O9 C25 1.285(6) . ?
O10 C25 1.250(6) . ?
O11 C30 1.269(6) . ?
O12 C30 1.262(6) . ?
N1 C36 1.352(6) . ?
N1 C40 1.342(6) . ?
N2 C31 1.349(6) . ?
N2 C35 1.358(6) . ?
N3 C41 1.343(6) . ?
N3 C45 1.341(6) . ?
N4 C46 1.331(6) . ?
N4 C50 1.367(6) . ?
C1 C2 1.368(7) . ?
C1 C5 1.487(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.394(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.355(8) . ?
C4 H4 0.9500 . ?
C10 C9 1.481(6) . ?
C15 C18 1.493(6) . ?
C20 C19 1.476(7) . ?
C25 C12 1.472(7) . ?
C30 C1B 1.487(7) . ?
C31 C32 1.386(6) . ?
C31 C36 1.482(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.385(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.362(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.370(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.390(7) . ?
C37 H37 0.9500 . ?
C37 C38 1.364(7) . ?
C38 H38 0.9500 . ?
C38 C39 1.379(7) . ?
C39 H39 0.9500 . ?
C39 C40 1.374(7) . ?
C40 H40 0.9500 . ?
C41 C42 1.401(6) . ?
C41 C46 1.503(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.381(7) . ?
C43 H43 0.9500 . ?
C43 C44 1.373(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.390(7) . ?
C45 H45 0.9500 . ?
C46 C47 1.384(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.388(7) . ?
C48 H48 0.9500 . ?
C48 C49 1.368(8) . ?
C49 H49 0.9500 . ?
C49 C50 1.392(8) . ?
C50 H50 0.9500 . ?
C6B H6B 0.9500 . ?
C6B C18 1.379(16) . ?
C6B C1D 1.466(17) . ?
C8B H8B 0.9500 . ?
C8B C19 1.467(15) . ?
C8B C11 1.512(15) . ?
S9B C19 1.633(7) . ?
S9B C1H 1.579(7) . ?
S11B C1B 1.576(11) . ?
S11B C0AA 1.66(3) . ?
S13B C18 1.598(12) . ?
S13B C1C 1.624(13) . ?
C17 H17A 0.9500 . ?
C17 H17 0.9500 . ?
C17 C1B 1.410(7) . ?
C17 C1FB 1.514(11) . ?
C17 C1FA 1.316(18) . ?
C18 S6A 1.701(5) . ?
C18 C13A 1.389(16) . ?
C19 S8A 1.669(6) . ?
C19 C9A 1.420(14) . ?
C1B S11A 1.781(6) . ?
C1C H1CA 0.9500 . ?
C1C H1C 0.9500 . ?
C1C C1D 1.336(8) . ?
C1C C13A 1.412(16) . ?
C1D H1DA 0.9500 . ?
C1D H1D 0.9500 . ?
C1D S6A 1.634(6) . ?
C1FB H1FB 0.9500 . ?
C1FB C6A 1.312(14) . ?
C1H H1HA 0.9500 . ?
C1H H1H 0.9500 . ?
C1H C11 1.316(9) . ?
C1H C9A 1.402(13) . ?
C0AA H0AA 0.9500 . ?
C0AA C1FA 1.31(4) . ?
C11 H11A 0.9500 . ?
C11 H11 0.9500 . ?
C11 S8A 1.592(8) . ?
C13A H13A 0.9500 . ?
C9A H9A 0.9500 . ?
C7 H7 0.9500 . ?
C7 C9 1.425(17) . ?
C7 C13 1.481(17) . ?
S2 C9 1.722(8) . ?
S2 C16 1.629(8) . ?
C9 C1A 1.325(10) . ?
C9 S1G 1.684(6) . ?
C13 H13 0.9500 . ?
C13 H13B 0.9500 . ?
C13 C16 1.346(9) . ?
C13 S1G 1.710(7) . ?
C16 H16 0.9500 . ?
C16 H16A 0.9500 . ?
C16 C1A 1.323(9) . ?
C1A H1A 0.9500 . ?
C3B H3B 0.9500 . ?
C3B C12 1.471(18) . ?
C3B C14 1.452(16) . ?
C8 H8 0.9500 . ?
C8 C12 1.417(12) . ?
C8 C1E 1.318(12) . ?
C12 S39 1.583(7) . ?
C12 S3A 1.622(7) . ?
C14 H14A 0.9500 . ?
C14 H14 0.9500 . ?
C14 C1E 1.306(10) . ?
C14 S3A 1.638(8) . ?
C1E H1E 0.9500 . ?
C1E H1EA 0.9500 . ?
C1E S39 1.489(9) . ?
C6A H6A 0.9500 . ?
C6A S11A 1.671(10) . ?
C1FA H1FA 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O11 80.23(12) . . ?
O1 Dy1 O12 127.65(11) . . ?
O1 Dy1 N1 75.27(11) . . ?
O1 Dy1 N2 138.03(11) . . ?
O1 Dy1 C30 103.34(13) . . ?
O3 Dy1 O1 77.51(11) . . ?
O3 Dy1 O5 77.06(12) . . ?
O3 Dy1 O11 147.74(11) . . ?
O3 Dy1 O12 154.50(11) . . ?
O3 Dy1 N1 76.81(13) . . ?
O3 Dy1 N2 87.93(12) . . ?
O3 Dy1 C30 171.24(13) . . ?
O5 Dy1 O1 136.21(12) . . ?
O5 Dy1 O11 134.35(12) . . ?
O5 Dy1 O12 80.18(12) . . ?
O5 Dy1 N1 131.19(11) . . ?
O5 Dy1 N2 75.50(11) . . ?
O5 Dy1 C30 107.11(14) . . ?
O7 Dy1 O1 77.57(11) . . ?
O7 Dy1 O3 110.83(12) . . ?
O7 Dy1 O5 78.99(11) . . ?
O7 Dy1 O11 86.51(12) . . ?
O7 Dy1 O12 75.51(12) . . ?
O7 Dy1 N1 149.33(11) . . ?
O7 Dy1 N2 143.87(11) . . ?
O7 Dy1 C30 77.74(13) . . ?
O11 Dy1 O12 54.24(11) . . ?
O11 Dy1 N1 75.14(12) . . ?
O11 Dy1 N2 93.31(12) . . ?
O11 Dy1 C30 27.25(12) . . ?
O12 Dy1 N1 110.87(13) . . ?
O12 Dy1 N2 75.27(12) . . ?
O12 Dy1 C30 27.16(12) . . ?
N1 Dy1 C30 94.90(14) . . ?
N2 Dy1 N1 63.07(12) . . ?
N2 Dy1 C30 85.75(13) . . ?
O2 Dy2 O4 75.54(12) . . ?
O2 Dy2 O8 74.38(12) . . ?
O2 Dy2 O9 91.78(12) . . ?
O2 Dy2 O10 75.55(12) . . ?
O2 Dy2 N3 152.04(12) . . ?
O2 Dy2 N4 143.66(13) . . ?
O2 Dy2 C25 80.93(13) . . ?
O4 Dy2 O9 130.82(13) . . ?
O4 Dy2 O10 76.62(12) . . ?
O4 Dy2 N3 130.40(12) . . ?
O4 Dy2 N4 77.07(13) . . ?
O4 Dy2 C25 103.37(15) . . ?
O6 Dy2 O2 110.04(12) . . ?
O6 Dy2 O4 77.96(12) . . ?
O6 Dy2 O8 83.34(12) . . ?
O6 Dy2 O9 148.62(12) . . ?
O6 Dy2 O10 151.54(12) . . ?
O6 Dy2 N3 72.01(12) . . ?
O6 Dy2 N4 86.82(13) . . ?
O6 Dy2 C25 168.78(13) . . ?
O8 Dy2 O4 136.23(13) . . ?
O8 Dy2 O9 81.16(13) . . ?
O8 Dy2 O10 124.32(12) . . ?
O8 Dy2 N3 78.28(12) . . ?
O8 Dy2 N4 141.15(12) . . ?
O8 Dy2 C25 102.45(15) . . ?
O9 Dy2 O10 54.22(12) . . ?
O9 Dy2 N3 78.20(12) . . ?
O9 Dy2 N4 88.36(13) . . ?
O9 Dy2 C25 27.56(13) . . ?
O10 Dy2 N3 116.60(12) . . ?
O10 Dy2 N4 75.24(13) . . ?
O10 Dy2 C25 26.80(13) . . ?
N3 Dy2 C25 99.52(14) . . ?
N4 Dy2 N3 62.94(13) . . ?
N4 Dy2 C25 82.68(15) . . ?
C4 S1 C1 91.6(3) . . ?
C5 O1 Dy1 126.5(3) . . ?
C5 O2 Dy2 158.8(3) . . ?
C10 O3 Dy1 152.0(3) . . ?
C10 O4 Dy2 135.7(3) . . ?
C15 O5 Dy1 134.5(3) . . ?
C15 O6 Dy2 156.1(3) . . ?
C20 O7 Dy1 150.9(3) . . ?
C20 O8 Dy2 121.6(3) . . ?
C25 O9 Dy2 92.9(3) . . ?
C25 O10 Dy2 90.5(3) . . ?
C30 O11 Dy1 94.0(3) . . ?
C30 O12 Dy1 89.5(3) . . ?
C36 N1 Dy1 120.3(3) . . ?
C40 N1 Dy1 121.4(3) . . ?
C40 N1 C36 117.5(4) . . ?
C31 N2 Dy1 123.0(3) . . ?
C31 N2 C35 116.9(4) . . ?
C35 N2 Dy1 119.8(3) . . ?
C41 N3 Dy2 120.4(3) . . ?
C45 N3 Dy2 120.8(3) . . ?
C45 N3 C41 118.1(4) . . ?
C46 N4 Dy2 124.2(3) . . ?
C46 N4 C50 117.9(5) . . ?
C50 N4 Dy2 117.8(4) . . ?
C2 C1 S1 110.4(4) . . ?
C2 C1 C5 127.1(5) . . ?
C5 C1 S1 122.5(4) . . ?
C1 C2 H2 123.3 . . ?
C1 C2 C3 113.4(5) . . ?
C3 C2 H2 123.3 . . ?
C2 C3 H3 123.6 . . ?
C4 C3 C2 112.8(5) . . ?
C4 C3 H3 123.6 . . ?
S1 C4 H4 124.1 . . ?
C3 C4 S1 111.7(4) . . ?
C3 C4 H4 124.1 . . ?
O1 C5 C1 119.1(4) . . ?
O2 C5 O1 124.1(4) . . ?
O2 C5 C1 116.8(5) . . ?
O3 C10 C9 117.5(5) . . ?
O4 C10 O3 125.7(4) . . ?
O4 C10 C9 116.8(5) . . ?
O5 C15 O6 125.5(4) . . ?
O5 C15 C18 117.4(5) . . ?
O6 C15 C18 117.1(4) . . ?
O7 C20 O8 125.1(4) . . ?
O7 C20 C19 117.7(5) . . ?
O8 C20 C19 117.2(5) . . ?
O9 C25 Dy2 59.5(3) . . ?
O9 C25 C12 118.3(5) . . ?
O10 C25 Dy2 62.7(3) . . ?
O10 C25 O9 121.7(5) . . ?
O10 C25 C12 120.0(5) . . ?
C12 C25 Dy2 171.2(4) . . ?
O11 C30 Dy1 58.7(3) . . ?
O11 C30 C1B 117.4(5) . . ?
O12 C30 Dy1 63.4(3) . . ?
O12 C30 O11 121.5(5) . . ?
O12 C30 C1B 121.0(5) . . ?
C1B C30 Dy1 170.3(3) . . ?
N2 C31 C32 122.3(4) . . ?
N2 C31 C36 115.7(4) . . ?
C32 C31 C36 122.0(4) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 C31 119.0(5) . . ?
C33 C32 H32 120.5 . . ?
C32 C33 H33 120.4 . . ?
C34 C33 C32 119.3(5) . . ?
C34 C33 H33 120.4 . . ?
C33 C34 H34 120.5 . . ?
C33 C34 C35 119.0(5) . . ?
C35 C34 H34 120.5 . . ?
N2 C35 C34 123.4(5) . . ?
N2 C35 H35 118.3 . . ?
C34 C35 H35 118.3 . . ?
N1 C36 C31 116.2(4) . . ?
N1 C36 C37 121.6(4) . . ?
C37 C36 C31 122.1(4) . . ?
C36 C37 H37 120.4 . . ?
C38 C37 C36 119.2(5) . . ?
C38 C37 H37 120.4 . . ?
C37 C38 H38 120.1 . . ?
C37 C38 C39 119.8(5) . . ?
C39 C38 H38 120.1 . . ?
C38 C39 H39 121.0 . . ?
C40 C39 C38 118.0(5) . . ?
C40 C39 H39 121.0 . . ?
N1 C40 C39 123.6(5) . . ?
N1 C40 H40 118.2 . . ?
C39 C40 H40 118.2 . . ?
N3 C41 C42 122.0(4) . . ?
N3 C41 C46 116.6(4) . . ?
C42 C41 C46 121.4(4) . . ?
C41 C42 H42 120.5 . . ?
C43 C42 C41 119.0(5) . . ?
C43 C42 H42 120.5 . . ?
C42 C43 H43 120.6 . . ?
C44 C43 C42 118.9(5) . . ?
C44 C43 H43 120.6 . . ?
C43 C44 H44 120.4 . . ?
C43 C44 C45 119.2(5) . . ?
C45 C44 H44 120.4 . . ?
N3 C45 C44 122.7(5) . . ?
N3 C45 H45 118.7 . . ?
C44 C45 H45 118.7 . . ?
N4 C46 C41 115.2(4) . . ?
N4 C46 C47 122.4(4) . . ?
C47 C46 C41 122.4(5) . . ?
C46 C47 H47 120.0 . . ?
C46 C47 C48 120.0(5) . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 120.9 . . ?
C49 C48 C47 118.1(5) . . ?
C49 C48 H48 120.9 . . ?
C48 C49 H49 120.1 . . ?
C48 C49 C50 119.7(5) . . ?
C50 C49 H49 120.1 . . ?
N4 C50 C49 121.8(5) . . ?
N4 C50 H50 119.1 . . ?
C49 C50 H50 119.1 . . ?
C18 C6B H6B 122.8 . . ?
C18 C6B C1D 114.4(13) . . ?
C1D C6B H6B 122.8 . . ?
C19 C8B H8B 126.5 . . ?
C19 C8B C11 106.9(11) . . ?
C11 C8B H8B 126.5 . . ?
C1H S9B C19 96.0(4) . . ?
C1B S11B C0AA 92.0(11) . . ?
C18 S13B C1C 93.4(8) . . ?
C1B C17 H17A 121.0 . . ?
C1B C17 H17 127.8 . . ?
C1B C17 C1FB 104.5(6) . . ?
C1FB C17 H17 127.8 . . ?
C1FA C17 H17A 121.0 . . ?
C1FA C17 C1B 118.0(15) . . ?
C15 C18 S13B 119.8(5) . . ?
C15 C18 S6A 120.8(4) . . ?
C6B C18 C15 130.0(9) . . ?
C6B C18 S13B 110.2(9) . . ?
C13A C18 C15 129.9(9) . . ?
C13A C18 S6A 109.3(8) . . ?
C20 C19 S9B 122.9(4) . . ?
C20 C19 S8A 122.4(4) . . ?
C8B C19 C20 127.6(8) . . ?
C8B C19 S9B 108.9(8) . . ?
C9A C19 C20 132.0(7) . . ?
C9A C19 S8A 105.4(6) . . ?
C30 C1B S11B 122.6(5) . . ?
C30 C1B S11A 118.5(4) . . ?
C17 C1B C30 127.6(5) . . ?
C17 C1B S11B 106.9(6) . . ?
C17 C1B S11A 113.7(4) . . ?
S13B C1C H1CA 120.8 . . ?
C1D C1C S13B 118.4(6) . . ?
C1D C1C H1CA 120.8 . . ?
C1D C1C H1C 125.8 . . ?
C1D C1C C13A 108.5(9) . . ?
C13A C1C H1C 125.8 . . ?
C6B C1D H1DA 128.4 . . ?
C1C C1D C6B 103.2(8) . . ?
C1C C1D H1DA 128.4 . . ?
C1C C1D H1D 121.5 . . ?
C1C C1D S6A 116.9(5) . . ?
S6A C1D H1D 121.5 . . ?
C17 C1FB H1FB 121.6 . . ?
C6A C1FB C17 116.7(9) . . ?
C6A C1FB H1FB 121.6 . . ?
S9B C1H H1HA 121.4 . . ?
C11 C1H S9B 117.1(5) . . ?
C11 C1H H1HA 121.4 . . ?
C11 C1H H1H 126.7 . . ?
C11 C1H C9A 106.6(8) . . ?
C9A C1H H1H 126.7 . . ?
S11B C0AA H0AA 121.7 . . ?
C1FA C0AA S11B 117(2) . . ?
C1FA C0AA H0AA 121.7 . . ?
C8B C11 H11A 125.7 . . ?
C1H C11 C8B 108.5(8) . . ?
C1H C11 H11A 125.7 . . ?
C1H C11 H11 121.1 . . ?
C1H C11 S8A 117.8(5) . . ?
S8A C11 H11 121.1 . . ?
C1D S6A C18 91.6(3) . . ?
C18 C13A C1C 113.6(14) . . ?
C18 C13A H13A 123.2 . . ?
C1C C13A H13A 123.2 . . ?
C11 S8A C19 94.4(3) . . ?
C19 C9A H9A 122.2 . . ?
C1H C9A C19 115.6(10) . . ?
C1H C9A H9A 122.2 . . ?
C9 C7 H7 123.8 . . ?
C9 C7 C13 112.4(14) . . ?
C13 C7 H7 123.8 . . ?
C16 S2 C9 90.7(4) . . ?
C10 C9 S2 116.9(4) . . ?
C10 C9 S1G 122.6(4) . . ?
C7 C9 C10 133.5(9) . . ?
C7 C9 S2 108.8(9) . . ?
C1A C9 C10 134.3(6) . . ?
C1A C9 S1G 102.8(5) . . ?
C7 C13 H13 128.2 . . ?
C16 C13 C7 103.6(10) . . ?
C16 C13 H13 128.2 . . ?
C16 C13 H13B 121.6 . . ?
C16 C13 S1G 116.7(5) . . ?
S1G C13 H13B 121.6 . . ?
S2 C16 H16 119.6 . . ?
C13 C16 S2 120.8(6) . . ?
C13 C16 H16 119.6 . . ?
C13 C16 H16A 130.0 . . ?
C1A C16 C13 100.0(8) . . ?
C1A C16 H16A 130.0 . . ?
C9 C1A H1A 115.8 . . ?
C16 C1A C9 128.5(9) . . ?
C16 C1A H1A 115.8 . . ?
C9 S1G C13 90.7(3) . . ?
C12 C3B H3B 123.1 . . ?
C14 C3B H3B 123.1 . . ?
C14 C3B C12 113.8(14) . . ?
C12 C8 H8 120.0 . . ?
C1E C8 H8 120.0 . . ?
C1E C8 C12 120.1(11) . . ?
C25 C12 S39 125.4(5) . . ?
C25 C12 S3A 123.4(4) . . ?
C3B C12 C25 132.5(9) . . ?
C3B C12 S39 102.0(8) . . ?
C8 C12 C25 137.2(7) . . ?
C8 C12 S3A 98.6(6) . . ?
C3B C14 H14A 128.0 . . ?
C1E C14 C3B 104.1(10) . . ?
C1E C14 H14A 128.0 . . ?
C1E C14 H14 124.0 . . ?
C1E C14 S3A 112.0(6) . . ?
S3A C14 H14 124.0 . . ?
C8 C1E H1E 127.6 . . ?
C14 C1E C8 104.8(9) . . ?
C14 C1E H1E 127.6 . . ?
C14 C1E H1EA 120.7 . . ?
C14 C1E S39 118.6(7) . . ?
S39 C1E H1EA 120.7 . . ?
C1E S39 C12 100.9(5) . . ?
C12 S3A C14 97.4(4) . . ?
C1FB C6A H6A 123.0 . . ?
C1FB C6A S11A 114.1(7) . . ?
S11A C6A H6A 123.0 . . ?
C6A S11A C1B 91.0(4) . . ?
C17 C1FA H1FA 127.6 . . ?
C0AA C1FA C17 105(2) . . ?
C0AA C1FA H1FA 127.6 . . ?

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 O1 C5 O2 -26.9(6) . . . . ?
Dy1 O1 C5 C1 151.8(3) . . . . ?
Dy1 O3 C10 O4 23.2(10) . . . . ?
Dy1 O3 C10 C9 -158.2(5) . . . . ?
Dy1 O5 C15 O6 -5.0(7) . . . . ?
Dy1 O5 C15 C18 174.9(3) . . . . ?
Dy1 O7 C20 O8 -76.9(8) . . . . ?
Dy1 O7 C20 C19 102.5(7) . . . . ?
Dy1 O11 C30 O12 -9.2(5) . . . . ?
Dy1 O11 C30 C1B 169.8(4) . . . . ?
Dy1 O12 C30 O11 8.7(5) . . . . ?
Dy1 O12 C30 C1B -170.2(4) . . . . ?
Dy1 N1 C36 C31 15.4(6) . . . . ?
Dy1 N1 C36 C37 -164.4(4) . . . . ?
Dy1 N1 C40 C39 167.5(5) . . . . ?
Dy1 N2 C31 C32 -172.6(4) . . . . ?
Dy1 N2 C31 C36 6.3(6) . . . . ?
Dy1 N2 C35 C34 176.3(4) . . . . ?
Dy2 O2 C5 O1 53.5(12) . . . . ?
Dy2 O2 C5 C1 -125.2(8) . . . . ?
Dy2 O4 C10 O3 -18.5(8) . . . . ?
Dy2 O4 C10 C9 162.9(3) . . . . ?
Dy2 O6 C15 O5 -2.3(11) . . . . ?
Dy2 O6 C15 C18 177.8(5) . . . . ?
Dy2 O8 C20 O7 42.1(6) . . . . ?
Dy2 O8 C20 C19 -137.4(3) . . . . ?
Dy2 O9 C25 O10 -8.2(5) . . . . ?
Dy2 O9 C25 C12 170.3(4) . . . . ?
Dy2 O10 C25 O9 7.9(5) . . . . ?
Dy2 O10 C25 C12 -170.5(4) . . . . ?
Dy2 N3 C41 C42 -171.4(3) . . . . ?
Dy2 N3 C41 C46 7.9(6) . . . . ?
Dy2 N3 C45 C44 170.0(4) . . . . ?
Dy2 N4 C46 C41 -5.0(6) . . . . ?
Dy2 N4 C46 C47 176.7(4) . . . . ?
Dy2 N4 C50 C49 -175.8(4) . . . . ?
S1 C1 C2 C3 -0.1(5) . . . . ?
S1 C1 C5 O1 11.5(6) . . . . ?
S1 C1 C5 O2 -169.8(3) . . . . ?
O3 C10 C9 C7 14.9(17) . . . . ?
O3 C10 C9 S2 -176.7(4) . . . . ?
O3 C10 C9 C1A 169.1(7) . . . . ?
O3 C10 C9 S1G -3.3(6) . . . . ?
O4 C10 C9 C7 -166.5(16) . . . . ?
O4 C10 C9 S2 2.0(6) . . . . ?
O4 C10 C9 C1A -12.2(10) . . . . ?
O4 C10 C9 S1G 175.4(4) . . . . ?
O5 C15 C18 C6B -169.1(18) . . . . ?
O5 C15 C18 S13B 7.3(9) . . . . ?
O5 C15 C18 S6A -170.9(4) . . . . ?
O5 C15 C18 C13A 10.9(17) . . . . ?
O6 C15 C18 C6B 10.8(19) . . . . ?
O6 C15 C18 S13B -172.7(8) . . . . ?
O6 C15 C18 S6A 9.0(6) . . . . ?
O6 C15 C18 C13A -169.2(16) . . . . ?
O7 C20 C19 C8B 177.7(11) . . . . ?
O7 C20 C19 S9B 7.3(7) . . . . ?
O7 C20 C19 S8A -169.4(4) . . . . ?
O7 C20 C19 C9A 4.5(13) . . . . ?
O8 C20 C19 C8B -2.8(12) . . . . ?
O8 C20 C19 S9B -173.1(4) . . . . ?
O8 C20 C19 S8A 10.1(6) . . . . ?
O8 C20 C19 C9A -176.0(11) . . . . ?
O9 C25 C12 C3B -165.4(17) . . . . ?
O9 C25 C12 C8 -4.9(12) . . . . ?
O9 C25 C12 S39 12.7(8) . . . . ?
O9 C25 C12 S3A -171.9(5) . . . . ?
O10 C25 C12 C3B 13.1(19) . . . . ?
O10 C25 C12 C8 173.6(10) . . . . ?
O10 C25 C12 S39 -168.9(5) . . . . ?
O10 C25 C12 S3A 6.5(8) . . . . ?
O11 C30 C1B S11B 160.7(7) . . . . ?
O11 C30 C1B C17 3.0(8) . . . . ?
O11 C30 C1B S11A -171.1(4) . . . . ?
O12 C30 C1B S11B -20.3(9) . . . . ?
O12 C30 C1B C17 -178.0(5) . . . . ?
O12 C30 C1B S11A 7.9(7) . . . . ?
N1 C36 C37 C38 -3.3(9) . . . . ?
N2 C31 C32 C33 -2.0(8) . . . . ?
N2 C31 C36 N1 -14.0(7) . . . . ?
N2 C31 C36 C37 165.8(5) . . . . ?
N3 C41 C42 C43 0.7(7) . . . . ?
N3 C41 C46 N4 -2.2(7) . . . . ?
N3 C41 C46 C47 176.2(5) . . . . ?
N4 C46 C47 C48 -1.3(8) . . . . ?
C1 S1 C4 C3 1.1(4) . . . . ?
C1 C2 C3 C4 0.9(7) . . . . ?
C2 C1 C5 O1 -165.8(5) . . . . ?
C2 C1 C5 O2 13.0(7) . . . . ?
C2 C3 C4 S1 -1.3(6) . . . . ?
C4 S1 C1 C2 -0.6(4) . . . . ?
C4 S1 C1 C5 -178.2(4) . . . . ?
C5 C1 C2 C3 177.4(4) . . . . ?
C10 C9 C1A C16 174.2(7) . . . . ?
C10 C9 S1G C13 178.7(4) . . . . ?
C15 C18 S6A C1D -177.8(4) . . . . ?
C15 C18 C13A C1C 178.6(9) . . . . ?
C20 C19 S8A C11 178.8(4) . . . . ?
C20 C19 C9A C1H -178.8(7) . . . . ?
C25 C12 S39 C1E 175.4(6) . . . . ?
C25 C12 S3A C14 -177.1(5) . . . . ?
C30 C1B S11A C6A 176.8(5) . . . . ?
C31 N2 C35 C34 2.4(7) . . . . ?
C31 C32 C33 C34 -0.4(8) . . . . ?
C31 C36 C37 C38 176.9(6) . . . . ?
C32 C31 C36 N1 164.8(5) . . . . ?
C32 C31 C36 C37 -15.4(8) . . . . ?
C32 C33 C34 C35 3.6(8) . . . . ?
C33 C34 C35 N2 -4.8(8) . . . . ?
C35 N2 C31 C32 1.1(7) . . . . ?
C35 N2 C31 C36 179.9(4) . . . . ?
C36 N1 C40 C39 -2.0(9) . . . . ?
C36 C31 C32 C33 179.2(5) . . . . ?
C36 C37 C38 C39 -2.0(10) . . . . ?
C37 C38 C39 C40 5.0(10) . . . . ?
C38 C39 C40 N1 -3.1(10) . . . . ?
C40 N1 C36 C31 -175.0(5) . . . . ?
C40 N1 C36 C37 5.2(8) . . . . ?
C41 N3 C45 C44 -0.3(8) . . . . ?
C41 C42 C43 C44 1.2(8) . . . . ?
C41 C46 C47 C48 -179.5(5) . . . . ?
C42 C41 C46 N4 177.2(4) . . . . ?
C42 C41 C46 C47 -4.5(8) . . . . ?
C42 C43 C44 C45 -2.6(8) . . . . ?
C43 C44 C45 N3 2.2(9) . . . . ?
C45 N3 C41 C42 -1.1(7) . . . . ?
C45 N3 C41 C46 178.3(4) . . . . ?
C46 N4 C50 C49 1.2(8) . . . . ?
C46 C41 C42 C43 -178.7(5) . . . . ?
C46 C47 C48 C49 1.5(9) . . . . ?
C47 C48 C49 C50 -0.5(9) . . . . ?
C48 C49 C50 N4 -0.9(9) . . . . ?
C50 N4 C46 C41 178.2(4) . . . . ?
C50 N4 C46 C47 -0.1(8) . . . . ?
S9B C1H C11 C8B -8.8(11) . . . . ?
S11B C0AA C1FA C17 2(3) . . . . ?
S13B C1C C1D C6B 0.5(16) . . . . ?
C17 C1B S11A C6A 1.9(5) . . . . ?
C17 C1FB C6A S11A -0.2(14) . . . . ?
C18 C6B C1D C1C -5(2) . . . . ?
C18 S13B C1C C1D 3.0(11) . . . . ?
C19 C8B C11 C1H 15.3(14) . . . . ?
C19 S9B C1H C11 -0.7(7) . . . . ?
C1B S11B C0AA C1FA 5(2) . . . . ?
C1B C17 C1FB C6A 1.6(12) . . . . ?
C1B C17 C1FA C0AA -11(3) . . . . ?
C1C S13B C18 C15 177.4(5) . . . . ?
C1C S13B C18 C6B -5.5(17) . . . . ?
C1C C1D S6A C18 -1.7(5) . . . . ?
C1D C6B C18 C15 -176.3(10) . . . . ?
C1D C6B C18 S13B 7(3) . . . . ?
C1D C1C C13A C18 -1(2) . . . . ?
C1FB C17 C1B C30 -176.5(6) . . . . ?
C1FB C17 C1B S11A -2.1(7) . . . . ?
C1FB C6A S11A C1B -0.9(9) . . . . ?
C1H S9B C19 C20 -177.8(4) . . . . ?
C1H S9B C19 C8B 10.3(10) . . . . ?
C1H C11 S8A C19 -2.3(6) . . . . ?
C0AA S11B C1B C30 -171.7(9) . . . . ?
C0AA S11B C1B C17 -10.0(10) . . . . ?
C11 C8B C19 C20 172.8(6) . . . . ?
C11 C8B C19 S9B -15.8(15) . . . . ?
C11 C1H C9A C19 2.7(16) . . . . ?
S6A C18 C13A C1C 0(2) . . . . ?
C13A C18 S6A C1D 0.8(13) . . . . ?
C13A C1C C1D S6A 2.1(14) . . . . ?
S8A C19 C9A C1H -4.2(16) . . . . ?
C9A C19 S8A C11 3.5(9) . . . . ?
C9A C1H C11 S8A 0.2(11) . . . . ?
C7 C13 C16 S2 17.6(13) . . . . ?
C9 C7 C13 C16 -20(2) . . . . ?
C9 S2 C16 C13 -8.2(7) . . . . ?
C13 C7 C9 C10 -174.8(8) . . . . ?
C13 C7 C9 S2 16(2) . . . . ?
C13 C16 C1A C9 13.6(12) . . . . ?
C16 S2 C9 C10 -176.5(4) . . . . ?
C16 S2 C9 C7 -5.3(12) . . . . ?
C16 C13 S1G C9 2.3(6) . . . . ?
C1A C9 S1G C13 4.3(5) . . . . ?
S1G C9 C1A C16 -12.3(11) . . . . ?
S1G C13 C16 C1A -7.8(8) . . . . ?
C3B C12 S39 C1E -6.0(13) . . . . ?
C3B C14 C1E S39 2.4(16) . . . . ?
C8 C12 S3A C14 11.8(7) . . . . ?
C12 C3B C14 C1E -7(2) . . . . ?
C12 C8 C1E C14 30.1(14) . . . . ?
C14 C3B C12 C25 -173.3(9) . . . . ?
C14 C3B C12 S39 8(2) . . . . ?
C14 C1E S39 C12 2.5(9) . . . . ?
C1E C8 C12 C25 164.0(8) . . . . ?
C1E C8 C12 S3A -26.9(13) . . . . ?
C1E C14 S3A C12 2.7(8) . . . . ?
S3A C14 C1E C8 -17.2(11) . . . . ?
C1FA C17 C1B C30 175.2(17) . . . . ?
C1FA C17 C1B S11B 14.7(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_060915c
_database_code_depnum_ccdc_archive 'CCDC 1407597'
_audit_update_record             
;
2015-06-18 deposited with the CCDC.
2015-12-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H38 Dy2 N6 O16 S3'
_chemical_formula_weight         1376.02

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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1980(11)
_cell_length_b                   11.0008(12)
_cell_length_c                   12.5285(14)
_cell_angle_alpha                78.936(2)
_cell_angle_beta                 87.716(2)
_cell_angle_gamma                63.320(2)
_cell_volume                     1230.8(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    4414
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      26.35

_exptl_crystal_description       Block
_exptl_crystal_colour            'light brown'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             676
_exptl_absorpt_coefficient_mu    3.218
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5654
_exptl_absorpt_correction_T_max  0.5654
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      294(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6302
_diffrn_reflns_av_R_equivalents  0.0190
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.66
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4292
_reflns_number_gt                3875
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0251P)²+1.5786P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4292
_refine_ls_number_parameters     396
_refine_ls_number_restraints     110
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0258
_refine_ls_wR_factor_ref         0.0625
_refine_ls_wR_factor_gt          0.0584
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.111
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.061898(14) 0.398729(13) 0.355445(11) 0.02464(4) Uani 1 1 d . . .
S1 S 0.43175(8) 0.01645(8) 0.63925(6) 0.0346(2) Uani 1 1 d . . .
S2 S 0.52435(15) 0.45992(16) 0.44119(13) 0.0350(4) Uani 0.50 1 d PU . -1
O1 O 0.1772(2) 0.2738(2) 0.52595(18) 0.0423(7) Uani 1 1 d . . .
O2 O 0.1124(3) 0.3696(2) 0.6723(2) 0.0480(7) Uani 1 1 d . . .
O3 O 0.7043(2) -0.2493(2) 0.69485(18) 0.0371(6) Uani 1 1 d . . .
O4 O 0.6593(3) -0.3005(3) 0.8682(2) 0.0738(10) Uani 1 1 d U . .
O5 O 0.2228(4) 0.4944(4) 0.3916(4) 0.0362(11) Uani 0.50 1 d PU . -1
O6 O 0.1199(4) 0.5897(4) 0.5346(4) 0.0337(12) Uani 0.50 1 d PU . -1
O7 O 0.8471(5) 0.3926(5) 0.4444(4) 0.0354(13) Uani 0.50 1 d PU . -1
O8 O 0.8402(5) 0.4795(5) 0.5925(4) 0.0386(11) Uani 0.50 1 d PU . -1
O9 O 0.0965(2) 0.5037(2) 0.17711(19) 0.0453(7) Uani 1 1 d D . .
H9A H 0.0280(18) 0.566(2) 0.1329(16) 0.073(13) Uiso 1 1 d D . .
H9B H 0.1725(15) 0.460(3) 0.1442(18) 0.111(19) Uiso 1 1 d D . .
O10 O 0.0890(4) 0.3113(3) -0.0018(3) 0.0856(11) Uani 1 1 d . . .
N1 N 0.0697(3) 0.1628(2) 0.3542(2) 0.0348(7) Uani 1 1 d . . .
N2 N -0.1240(3) 0.3923(3) 0.2250(2) 0.0388(7) Uani 1 1 d U . .
N3 N 0.1348(4) 1.0356(4) 0.0598(3) 0.0724(11) Uani 1 1 d . . .
C1 C 0.1850(3) 0.2728(3) 0.6247(2) 0.0261(7) Uani 1 1 d . . .
C2 C 0.2931(3) 0.1414(3) 0.6955(2) 0.0257(7) Uani 1 1 d . . .
C3 C 0.2972(3) 0.1036(3) 0.8048(3) 0.0356(9) Uani 1 1 d . . .
H3 H 0.2317 0.1593 0.8492 0.043 Uiso 1 1 calc R . .
C4 C 0.4114(3) -0.0295(3) 0.8443(3) 0.0383(9) Uani 1 1 d . . .
H4 H 0.4280 -0.0723 0.9174 0.046 Uiso 1 1 calc R . .
C5 C 0.4948(3) -0.0886(3) 0.7642(2) 0.0302(8) Uani 1 1 d . . .
C6 C 0.6295(3) -0.2243(3) 0.7767(3) 0.0354(9) Uani 1 1 d . . .
C7 C 0.2249(7) 0.5429(7) 0.4766(6) 0.0299(12) Uani 0.50 1 d PU . -1
C8 C 0.3696(6) 0.5308(6) 0.5107(5) 0.0307(13) Uani 0.50 1 d PU . -1
C9 C 0.3928(7) 0.5763(7) 0.5964(6) 0.0400(14) Uani 0.50 1 d PU . -1
H9 H 0.3173 0.6209 0.6437 0.048 Uiso 0.50 1 d PR . -1
C10 C 0.5378(7) 0.5520(7) 0.6088(6) 0.0414(14) Uani 0.50 1 d PU . -1
H10 H 0.5747 0.5757 0.6668 0.050 Uiso 0.50 1 d PR . -1
C11 C 0.6226(6) 0.4900(7) 0.5296(6) 0.0323(12) Uani 0.50 1 d PU . -1
C12 C 0.7798(8) 0.4564(8) 0.5221(7) 0.0309(13) Uani 0.50 1 d PU . -1
C13 C 0.1737(4) 0.0481(3) 0.4149(3) 0.0474(10) Uani 1 1 d . . .
H13 H 0.2477 0.0550 0.4505 0.057 Uiso 1 1 calc R . .
C14 C 0.1756(5) -0.0807(4) 0.4269(4) 0.0620(13) Uani 1 1 d . . .
H14 H 0.2493 -0.1588 0.4696 0.074 Uiso 1 1 calc R . .
C15 C 0.0660(5) -0.0904(4) 0.3743(4) 0.0708(14) Uani 1 1 d . . .
H15 H 0.0635 -0.1751 0.3820 0.085 Uiso 1 1 calc R . .
C16 C -0.0373(4) 0.0236(4) 0.3118(3) 0.0553(11) Uani 1 1 d . . .
H16 H -0.1115 0.0178 0.2755 0.066 Uiso 1 1 calc R . .
C17 C -0.0341(3) 0.1512(3) 0.3009(3) 0.0374(8) Uani 1 1 d . . .
C18 C -0.1433(4) 0.2784(3) 0.2325(3) 0.0454(8) Uani 1 1 d U . .
C19 C -0.2591(5) 0.2813(5) 0.1780(4) 0.0720(11) Uani 1 1 d U . .
H19 H -0.2700 0.2009 0.1832 0.086 Uiso 1 1 calc R . .
C20 C -0.3589(5) 0.4039(5) 0.1157(4) 0.0815(12) Uani 1 1 d U . .
H20 H -0.4390 0.4074 0.0800 0.098 Uiso 1 1 calc R . .
C21 C -0.3400(5) 0.5198(5) 0.1066(4) 0.0697(11) Uani 1 1 d U . .
H21 H -0.4050 0.6033 0.0636 0.084 Uiso 1 1 calc R . .
C22 C -0.2206(4) 0.5093(4) 0.1633(3) 0.0515(9) Uani 1 1 d U . .
H22 H -0.2072 0.5885 0.1579 0.062 Uiso 1 1 calc R . .
C23 C 0.0648(5) 0.9595(5) 0.0358(4) 0.0663(13) Uani 1 1 d . . .
C24 C 0.1218(6) 0.8265(6) 0.0846(5) 0.095(2) Uani 1 1 d . . .
H24 H 0.0725 0.7776 0.0696 0.114 Uiso 1 1 calc R . .
C25 C 0.2409(7) 0.7547(6) 0.1522(5) 0.107(2) Uani 1 1 d . . .
H25 H 0.2725 0.6619 0.1842 0.128 Uiso 1 1 calc R . .
C26 C 0.3173(6) 0.8327(6) 0.1720(5) 0.094(2) Uani 1 1 d . . .
H26 H 0.4038 0.7930 0.2154 0.113 Uiso 1 1 calc R . .
C27 C 0.2535(5) 0.9659(6) 0.1231(4) 0.0787(16) Uani 1 1 d . . .
H27 H 0.3012 1.0168 0.1363 0.094 Uiso 1 1 calc R . .
H10A H 0.1762 0.2955 0.0162 0.094 Uiso 1 1 d R . .
H10B H 0.0774 0.2419 0.0367 0.094 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O8 2.192(5) 2_666 ?
Dy1 O6 2.237(5) 2_566 ?
Dy1 O2 2.3269(19) 2_566 ?
Dy1 O1 2.336(2) . ?
Dy1 O3 2.3545(19) 2_656 ?
Dy1 O9 2.400(2) . ?
Dy1 O5 2.408(5) . ?
Dy1 O7 2.440(5) 1_455 ?
Dy1 N1 2.564(3) . ?
Dy1 N2 2.584(3) . ?
S1 C5 1.708(3) . ?
S1 C2 1.713(3) . ?
S2 C11 1.693(7) . ?
S2 C8 1.704(6) . ?
O1 C1 1.240(4) . ?
O2 C1 1.241(4) . ?
O2 Dy1 2.3270(19) 2_566 ?
O3 C6 1.251(4) . ?
O3 Dy1 2.3545(19) 2_656 ?
O4 C6 1.241(4) . ?
O5 C7 1.285(10) . ?
O6 C7 1.234(8) . ?
O6 Dy1 2.237(5) 2_566 ?
O7 C12 1.299(10) . ?
O7 Dy1 2.440(5) 1_655 ?
O8 C12 1.222(11) . ?
O8 Dy1 2.192(5) 2_666 ?
O9 H9A 0.847(10) . ?
O9 H9B 0.847(10) . ?
O10 H10A 0.8568 . ?
O10 H10B 0.8747 . ?
N1 C13 1.338(4) . ?
N1 C17 1.338(4) . ?
N2 C22 1.329(4) . ?
N2 C18 1.339(5) . ?
N3 C27 1.301(6) . ?
N3 C23 1.396(7) . ?
C1 C2 1.499(3) . ?
C2 C3 1.349(4) . ?
C3 C4 1.408(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.356(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.492(4) . ?
C7 C8 1.493(10) . ?
C8 C9 1.338(10) . ?
C9 C10 1.389(9) . ?
C9 H9 0.9599 . ?
C10 C11 1.363(9) . ?
C10 H10 0.9599 . ?
C11 C12 1.478(10) . ?
C13 C14 1.388(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.373(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.341(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.400(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.466(4) . ?
C18 C19 1.373(6) . ?
C19 C20 1.375(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.355(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.384(6) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.332(7) . ?
C23 C23 1.441(9) 2_575 ?
C24 C25 1.335(8) . ?
C24 H24 0.9300 . ?
C25 C26 1.450(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.333(7) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?

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
O8 Dy1 O6 107.36(18) 2_666 2_566 ?
O8 Dy1 O2 71.06(12) 2_666 2_566 ?
O6 Dy1 O2 73.12(12) 2_566 2_566 ?
O8 Dy1 O1 75.18(14) 2_666 . ?
O6 Dy1 O1 74.53(12) 2_566 . ?
O2 Dy1 O1 122.55(8) 2_566 . ?
O8 Dy1 O3 88.53(13) 2_666 2_656 ?
O6 Dy1 O3 144.10(12) 2_566 2_656 ?
O2 Dy1 O3 142.65(9) 2_566 2_656 ?
O1 Dy1 O3 79.06(7) . 2_656 ?
O8 Dy1 O9 82.79(15) 2_666 . ?
O6 Dy1 O9 139.63(11) 2_566 . ?
O2 Dy1 O9 73.81(8) 2_566 . ?
O1 Dy1 O9 144.50(8) . . ?
O3 Dy1 O9 72.81(7) 2_656 . ?
O8 Dy1 O5 14.47(14) 2_666 . ?
O6 Dy1 O5 120.35(17) 2_566 . ?
O2 Dy1 O5 82.40(12) 2_566 . ?
O1 Dy1 O5 74.89(12) . . ?
O3 Dy1 O5 74.19(12) 2_656 . ?
O9 Dy1 O5 76.92(13) . . ?
O8 Dy1 O7 119.48(18) 2_666 1_455 ?
O6 Dy1 O7 12.63(17) 2_566 1_455 ?
O2 Dy1 O7 75.91(13) 2_566 1_455 ?
O1 Dy1 O7 82.35(13) . 1_455 ?
O3 Dy1 O7 140.80(13) 2_656 1_455 ?
O9 Dy1 O7 133.08(12) . 1_455 ?
O5 Dy1 O7 132.81(17) . 1_455 ?
O8 Dy1 N1 149.68(12) 2_666 . ?
O6 Dy1 N1 80.11(14) 2_566 . ?
O2 Dy1 N1 137.82(9) 2_566 . ?
O1 Dy1 N1 78.89(8) . . ?
O3 Dy1 N1 71.21(8) 2_656 . ?
O9 Dy1 N1 110.95(9) . . ?
O5 Dy1 N1 139.74(11) . . ?
O7 Dy1 N1 71.51(13) 1_455 . ?
O8 Dy1 N2 147.31(13) 2_666 . ?
O6 Dy1 N2 78.38(14) 2_566 . ?
O2 Dy1 N2 80.50(9) 2_566 . ?
O1 Dy1 N2 135.76(9) . . ?
O3 Dy1 N2 105.58(8) 2_656 . ?
O9 Dy1 N2 73.89(9) . . ?
O5 Dy1 N2 149.28(12) . . ?
O7 Dy1 N2 66.38(14) 1_455 . ?
N1 Dy1 N2 62.35(8) . . ?
C5 S1 C2 91.54(14) . . ?
C11 S2 C8 91.1(3) . . ?
C1 O1 Dy1 146.97(18) . . ?
C1 O2 Dy1 143.3(2) . 2_566 ?
C6 O3 Dy1 141.28(18) . 2_656 ?
C7 O5 Dy1 125.9(5) . . ?
C7 O6 Dy1 160.4(5) . 2_566 ?
C12 O7 Dy1 126.7(5) . 1_655 ?
C12 O8 Dy1 150.3(5) . 2_666 ?
Dy1 O9 H9A 124.9(16) . . ?
Dy1 O9 H9B 120(2) . . ?
H9A O9 H9B 111(2) . . ?
H10A O10 H10B 104.9 . . ?
C13 N1 C17 118.3(3) . . ?
C13 N1 Dy1 119.6(2) . . ?
C17 N1 Dy1 121.96(18) . . ?
C22 N2 C18 118.2(3) . . ?
C22 N2 Dy1 119.8(3) . . ?
C18 N2 Dy1 120.9(2) . . ?
C27 N3 C23 115.8(4) . . ?
O1 C1 O2 127.0(2) . . ?
O1 C1 C2 117.4(2) . . ?
O2 C1 C2 115.6(3) . . ?
C3 C2 C1 127.8(2) . . ?
C3 C2 S1 111.65(19) . . ?
C1 C2 S1 120.5(2) . . ?
C2 C3 C4 112.6(3) . . ?
C2 C3 H3 123.7 . . ?
C4 C3 H3 123.7 . . ?
C5 C4 C3 112.7(3) . . ?
C5 C4 H4 123.6 . . ?
C3 C4 H4 123.6 . . ?
C4 C5 C6 127.4(3) . . ?
C4 C5 S1 111.4(2) . . ?
C6 C5 S1 121.1(2) . . ?
O4 C6 O3 126.0(3) . . ?
O4 C6 C5 116.9(3) . . ?
O3 C6 C5 117.1(3) . . ?
O6 C7 O5 125.0(7) . . ?
O6 C7 C8 118.7(7) . . ?
O5 C7 C8 116.2(6) . . ?
C9 C8 C7 124.7(6) . . ?
C9 C8 S2 112.3(5) . . ?
C7 C8 S2 123.0(5) . . ?
C8 C9 C10 112.5(6) . . ?
C8 C9 H9 123.6 . . ?
C10 C9 H9 123.9 . . ?
C11 C10 C9 112.6(7) . . ?
C11 C10 H10 123.5 . . ?
C9 C10 H10 123.9 . . ?
C10 C11 C12 123.6(7) . . ?
C10 C11 S2 111.5(5) . . ?
C12 C11 S2 125.0(6) . . ?
O8 C12 O7 124.3(7) . . ?
O8 C12 C11 119.1(7) . . ?
O7 C12 C11 116.3(8) . . ?
N1 C13 C14 122.6(4) . . ?
N1 C13 H13 118.7 . . ?
C14 C13 H13 118.7 . . ?
C15 C14 C13 118.5(3) . . ?
C15 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
C16 C15 C14 119.3(4) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C15 C16 C17 120.3(4) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
N1 C17 C16 120.9(3) . . ?
N1 C17 C18 116.6(3) . . ?
C16 C17 C18 122.4(3) . . ?
N2 C18 C19 121.4(3) . . ?
N2 C18 C17 116.6(3) . . ?
C19 C18 C17 122.1(4) . . ?
C18 C19 C20 119.5(4) . . ?
C18 C19 H19 120.2 . . ?
C20 C19 H19 120.2 . . ?
C21 C20 C19 119.8(4) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C20 C21 C22 117.6(4) . . ?
C20 C21 H21 121.2 . . ?
C22 C21 H21 121.2 . . ?
N2 C22 C21 123.5(4) . . ?
N2 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
C24 C23 N3 116.8(5) . . ?
C24 C23 C23 129.2(7) . 2_575 ?
N3 C23 C23 113.9(5) . 2_575 ?
C23 C24 C25 127.9(7) . . ?
C23 C24 H24 116.0 . . ?
C25 C24 H24 116.0 . . ?
C24 C25 C26 114.8(6) . . ?
C24 C25 H25 122.6 . . ?
C26 C25 H25 122.6 . . ?
C27 C26 C25 114.6(5) . . ?
C27 C26 H26 122.7 . . ?
C25 C26 H26 122.7 . . ?
N3 C27 C26 130.0(6) . . ?
N3 C27 H27 115.0 . . ?
C26 C27 H27 115.0 . . ?

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
O8 Dy1 O1 C1 60.8(4) 2_666 . . . ?
O6 Dy1 O1 C1 -52.4(4) 2_566 . . . ?
O2 Dy1 O1 C1 5.3(5) 2_566 . . . ?
O3 Dy1 O1 C1 152.1(4) 2_656 . . . ?
O9 Dy1 O1 C1 114.3(4) . . . . ?
O5 Dy1 O1 C1 75.8(4) . . . . ?
O7 Dy1 O1 C1 -62.5(4) 1_455 . . . ?
N1 Dy1 O1 C1 -135.1(4) . . . . ?
N2 Dy1 O1 C1 -106.7(4) . . . . ?
O8 Dy1 O5 C7 34.8(7) 2_666 . . . ?
O6 Dy1 O5 C7 7.0(5) 2_566 . . . ?
O2 Dy1 O5 C7 72.3(4) 2_566 . . . ?
O1 Dy1 O5 C7 -54.4(4) . . . . ?
O3 Dy1 O5 C7 -137.1(4) 2_656 . . . ?
O9 Dy1 O5 C7 147.4(4) . . . . ?
O7 Dy1 O5 C7 9.6(5) 1_455 . . . ?
N1 Dy1 O5 C7 -105.5(4) . . . . ?
N2 Dy1 O5 C7 128.9(4) . . . . ?
O8 Dy1 N1 C13 5.5(4) 2_666 . . . ?
O6 Dy1 N1 C13 -102.0(3) 2_566 . . . ?
O2 Dy1 N1 C13 -152.9(2) 2_566 . . . ?
O1 Dy1 N1 C13 -26.0(3) . . . . ?
O3 Dy1 N1 C13 56.1(3) 2_656 . . . ?
O9 Dy1 N1 C13 118.4(3) . . . . ?
O5 Dy1 N1 C13 24.0(4) . . . . ?
O7 Dy1 N1 C13 -111.6(3) 1_455 . . . ?
N2 Dy1 N1 C13 176.0(3) . . . . ?
O8 Dy1 N1 C17 -179.7(3) 2_666 . . . ?
O6 Dy1 N1 C17 72.8(3) 2_566 . . . ?
O2 Dy1 N1 C17 21.9(3) 2_566 . . . ?
O1 Dy1 N1 C17 148.8(3) . . . . ?
O3 Dy1 N1 C17 -129.1(3) 2_656 . . . ?
O9 Dy1 N1 C17 -66.8(3) . . . . ?
O5 Dy1 N1 C17 -161.2(3) . . . . ?
O7 Dy1 N1 C17 63.2(3) 1_455 . . . ?
N2 Dy1 N1 C17 -9.2(2) . . . . ?
O8 Dy1 N2 C22 -10.1(4) 2_666 . . . ?
O6 Dy1 N2 C22 94.0(3) 2_566 . . . ?
O2 Dy1 N2 C22 19.4(3) 2_566 . . . ?
O1 Dy1 N2 C22 147.0(2) . . . . ?
O3 Dy1 N2 C22 -122.8(3) 2_656 . . . ?
O9 Dy1 N2 C22 -56.3(3) . . . . ?
O5 Dy1 N2 C22 -37.6(4) . . . . ?
O7 Dy1 N2 C22 98.1(3) 1_455 . . . ?
N1 Dy1 N2 C22 178.8(3) . . . . ?
O8 Dy1 N2 C18 -177.8(3) 2_666 . . . ?
O6 Dy1 N2 C18 -73.6(3) 2_566 . . . ?
O2 Dy1 N2 C18 -148.2(3) 2_566 . . . ?
O1 Dy1 N2 C18 -20.6(3) . . . . ?
O3 Dy1 N2 C18 69.6(3) 2_656 . . . ?
O9 Dy1 N2 C18 136.0(3) . . . . ?
O5 Dy1 N2 C18 154.8(3) . . . . ?
O7 Dy1 N2 C18 -69.5(3) 1_455 . . . ?
N1 Dy1 N2 C18 11.2(2) . . . . ?
Dy1 O1 C1 O2 -2.3(7) . . . . ?
Dy1 O1 C1 C2 177.8(3) . . . . ?
Dy1 O2 C1 O1 -3.7(6) 2_566 . . . ?
Dy1 O2 C1 C2 176.3(3) 2_566 . . . ?
O1 C1 C2 C3 -162.5(3) . . . . ?
O2 C1 C2 C3 17.5(5) . . . . ?
O1 C1 C2 S1 16.9(4) . . . . ?
O2 C1 C2 S1 -163.1(3) . . . . ?
C5 S1 C2 C3 0.6(3) . . . . ?
C5 S1 C2 C1 -178.9(3) . . . . ?
C1 C2 C3 C4 178.0(3) . . . . ?
S1 C2 C3 C4 -1.4(4) . . . . ?
C2 C3 C4 C5 1.8(5) . . . . ?
C3 C4 C5 C6 176.0(3) . . . . ?
C3 C4 C5 S1 -1.4(4) . . . . ?
C2 S1 C5 C4 0.5(3) . . . . ?
C2 S1 C5 C6 -177.1(3) . . . . ?
Dy1 O3 C6 O4 -13.7(7) 2_656 . . . ?
Dy1 O3 C6 C5 164.2(2) 2_656 . . . ?
C4 C5 C6 O4 10.0(6) . . . . ?
S1 C5 C6 O4 -172.8(3) . . . . ?
C4 C5 C6 O3 -168.2(4) . . . . ?
S1 C5 C6 O3 9.0(5) . . . . ?
Dy1 O6 C7 O5 58.8(16) 2_566 . . . ?
Dy1 O6 C7 C8 -116.3(14) 2_566 . . . ?
Dy1 O5 C7 O6 -24.8(9) . . . . ?
Dy1 O5 C7 C8 150.4(4) . . . . ?
O6 C7 C8 C9 -5.0(10) . . . . ?
O5 C7 C8 C9 179.5(6) . . . . ?
O6 C7 C8 S2 176.6(5) . . . . ?
O5 C7 C8 S2 1.1(9) . . . . ?
C11 S2 C8 C9 0.7(6) . . . . ?
C11 S2 C8 C7 179.2(5) . . . . ?
C7 C8 C9 C10 -179.7(6) . . . . ?
S2 C8 C9 C10 -1.2(8) . . . . ?
C8 C9 C10 C11 1.3(9) . . . . ?
C9 C10 C11 C12 178.2(7) . . . . ?
C9 C10 C11 S2 -0.8(8) . . . . ?
C8 S2 C11 C10 0.1(6) . . . . ?
C8 S2 C11 C12 -178.9(6) . . . . ?
Dy1 O8 C12 O7 77.9(12) 2_666 . . . ?
Dy1 O8 C12 C11 -108.3(10) 2_666 . . . ?
Dy1 O7 C12 O8 -32.5(11) 1_655 . . . ?
Dy1 O7 C12 C11 153.5(5) 1_655 . . . ?
C10 C11 C12 O8 3.1(12) . . . . ?
S2 C11 C12 O8 -178.0(6) . . . . ?
C10 C11 C12 O7 177.5(7) . . . . ?
S2 C11 C12 O7 -3.7(10) . . . . ?
C17 N1 C13 C14 -1.8(5) . . . . ?
Dy1 N1 C13 C14 173.2(3) . . . . ?
N1 C13 C14 C15 -0.1(6) . . . . ?
C13 C14 C15 C16 1.2(7) . . . . ?
C14 C15 C16 C17 -0.5(7) . . . . ?
C13 N1 C17 C16 2.5(5) . . . . ?
Dy1 N1 C17 C16 -172.4(3) . . . . ?
C13 N1 C17 C18 -178.1(3) . . . . ?
Dy1 N1 C17 C18 7.1(4) . . . . ?
C15 C16 C17 N1 -1.4(6) . . . . ?
C15 C16 C17 C18 179.2(4) . . . . ?
C22 N2 C18 C19 0.1(6) . . . . ?
Dy1 N2 C18 C19 167.9(3) . . . . ?
C22 N2 C18 C17 179.7(3) . . . . ?
Dy1 N2 C18 C17 -12.4(4) . . . . ?
N1 C17 C18 N2 3.6(5) . . . . ?
C16 C17 C18 N2 -177.0(3) . . . . ?
N1 C17 C18 C19 -176.8(4) . . . . ?
C16 C17 C18 C19 2.6(6) . . . . ?
N2 C18 C19 C20 -1.0(7) . . . . ?
C17 C18 C19 C20 179.4(4) . . . . ?
C18 C19 C20 C21 1.6(8) . . . . ?
C19 C20 C21 C22 -1.4(7) . . . . ?
C18 N2 C22 C21 0.1(6) . . . . ?
Dy1 N2 C22 C21 -167.8(3) . . . . ?
C20 C21 C22 N2 0.5(7) . . . . ?
C27 N3 C23 C24 3.5(7) . . . . ?
C27 N3 C23 C23 -179.2(5) . . . 2_575 ?
N3 C23 C24 C25 -1.8(9) . . . . ?
C23 C23 C24 C25 -178.7(7) 2_575 . . . ?
C23 C24 C25 C26 -1.3(10) . . . . ?
C24 C25 C26 C27 2.6(8) . . . . ?
C23 N3 C27 C26 -2.3(8) . . . . ?
C25 C26 C27 N3 -0.8(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.623
_refine_diff_density_min         -0.542
_refine_diff_density_rms         0.095
