# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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#  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.
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#  fide research purposes only. It may contain copyright material
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data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H34 Dy2 N0 O23 S3'
_chemical_formula_weight         1327.90

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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   17.772(4)
_cell_length_b                   12.695(3)
_cell_length_c                   22.095(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 119.79(2)
_cell_angle_gamma                90.00
_cell_volume                     4326(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    11861
_cell_measurement_theta_min      1.0619
_cell_measurement_theta_max      27.4834

_exptl_crystal_description       plate
_exptl_crystal_colour            'slight grey'
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.039
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2600
_exptl_absorpt_coefficient_mu    3.666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6726
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(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 dtetector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean '15x15 microns'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27117
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         26.01
_reflns_number_total             8492
_reflns_number_gt                7608
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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)+(0.0325P)²+24.5519P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8492
_refine_ls_number_parameters     631
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0583
_refine_ls_wR_factor_ref         0.1201
_refine_ls_wR_factor_gt          0.1158
_refine_ls_goodness_of_fit_ref   1.193
_refine_ls_restrained_S_all      1.193
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.33514(2) -0.97956(3) -0.106799(16) 0.01498(10) Uani 1 1 d . . .
Dy2 Dy 1.06569(2) -1.01770(3) -0.226338(16) 0.01440(10) Uani 1 1 d . . .
S1 S 0.19024(13) -0.50988(14) 0.09035(9) 0.0201(4) Uani 1 1 d . . .
S2 S 0.18558(13) -0.48793(14) -0.43276(9) 0.0188(4) Uani 1 1 d . . .
S3 S 0.49855(12) -0.93280(17) -0.41425(9) 0.0233(4) Uani 1 1 d . . .
C1 C 0.1567(5) -0.8679(6) -0.0995(4) 0.0176(16) Uani 1 1 d . . .
C2 C 0.1683(5) -0.7830(6) -0.0488(4) 0.0178(16) Uani 1 1 d . . .
C3 C 0.0951(5) -0.7376(6) -0.0540(4) 0.0244(18) Uani 1 1 d . . .
H3A H 0.0408 -0.7624 -0.0871 0.029 Uiso 1 1 calc R . .
C4 C 0.1010(5) -0.6554(7) -0.0104(4) 0.0262(18) Uani 1 1 d . . .
H4A H 0.0513 -0.6249 -0.0140 0.031 Uiso 1 1 calc R . .
C5 C 0.1823(5) -0.6198(6) 0.0384(4) 0.0174(16) Uani 1 1 d . . .
C6 C 0.2562(6) -0.6652(7) 0.0452(5) 0.033(2) Uani 1 1 d . . .
H6A H 0.3107 -0.6416 0.0789 0.039 Uiso 1 1 calc R . .
C7 C 0.2477(5) -0.7474(6) 0.0006(4) 0.0267(18) Uani 1 1 d . . .
H7A H 0.2973 -0.7788 0.0045 0.032 Uiso 1 1 calc R . .
C8 C 0.1966(5) -0.4018(6) 0.0424(4) 0.0197(16) Uani 1 1 d . . .
C9 C 0.1229(5) -0.3451(6) -0.0004(4) 0.0223(17) Uani 1 1 d . . .
H9A H 0.0703 -0.3621 -0.0032 0.027 Uiso 1 1 calc R . .
C10 C 0.1278(5) -0.2623(6) -0.0395(4) 0.0198(16) Uani 1 1 d . . .
H10A H 0.0785 -0.2232 -0.0683 0.024 Uiso 1 1 calc R . .
C11 C 0.2058(5) -0.2376(6) -0.0358(4) 0.0171(15) Uani 1 1 d . . .
C12 C 0.2795(5) -0.2934(7) 0.0084(4) 0.0281(19) Uani 1 1 d . . .
H12A H 0.3324 -0.2752 0.0122 0.034 Uiso 1 1 calc R . .
C13 C 0.2751(5) -0.3774(6) 0.0476(4) 0.0265(19) Uani 1 1 d . . .
H13A H 0.3245 -0.4162 0.0767 0.032 Uiso 1 1 calc R . .
C14 C 0.2065(5) -0.1510(5) -0.0821(4) 0.0153(15) Uani 1 1 d . . .
C15 C 0.1936(5) -0.8438(6) -0.2491(4) 0.0175(16) Uani 1 1 d . . .
C16 C 0.1908(5) -0.7591(6) -0.2979(4) 0.0181(16) Uani 1 1 d . . .
C17 C 0.1130(5) -0.7135(6) -0.3450(4) 0.0230(17) Uani 1 1 d . . .
H17A H 0.0618 -0.7371 -0.3478 0.028 Uiso 1 1 calc R . .
C18 C 0.1104(5) -0.6324(6) -0.3884(4) 0.0232(17) Uani 1 1 d . . .
H18A H 0.0578 -0.6025 -0.4207 0.028 Uiso 1 1 calc R . .
C19 C 0.1871(5) -0.5970(6) -0.3826(4) 0.0173(15) Uani 1 1 d . . .
C20 C 0.2642(5) -0.6422(7) -0.3359(4) 0.0268(18) Uani 1 1 d . . .
H20A H 0.3156 -0.6172 -0.3320 0.032 Uiso 1 1 calc R . .
C21 C 0.2662(5) -0.7250(6) -0.2944(4) 0.0266(19) Uani 1 1 d . . .
H21A H 0.3185 -0.7575 -0.2642 0.032 Uiso 1 1 calc R . .
C22 C 0.2013(5) -0.3783(6) -0.3774(4) 0.0175(15) Uani 1 1 d . . .
C23 C 0.1317(5) -0.3419(6) -0.3721(4) 0.0251(18) Uani 1 1 d . . .
H23A H 0.0772 -0.3725 -0.3980 0.030 Uiso 1 1 calc R . .
C24 C 0.1448(5) -0.2587(7) -0.3272(4) 0.0247(18) Uani 1 1 d . . .
H24A H 0.0987 -0.2332 -0.3229 0.030 Uiso 1 1 calc R . .
C25 C 0.2256(5) -0.2132(6) -0.2890(4) 0.0178(16) Uani 1 1 d . . .
C26 C 0.2947(5) -0.2498(6) -0.2960(4) 0.0218(17) Uani 1 1 d . . .
H26A H 0.3491 -0.2187 -0.2709 0.026 Uiso 1 1 calc R . .
C27 C 0.2817(5) -0.3326(6) -0.3407(4) 0.0228(17) Uani 1 1 d . . .
H27A H 0.3274 -0.3575 -0.3460 0.027 Uiso 1 1 calc R . .
C28 C 0.2409(5) -0.1278(6) -0.2360(4) 0.0212(17) Uani 1 1 d . . .
C29 C 0.4674(5) -0.8678(6) -0.1568(4) 0.0223(17) Uani 1 1 d . . .
C30 C 0.4765(5) -0.8863(6) -0.2199(4) 0.0191(16) Uani 1 1 d . . .
C31 C 0.4817(5) -0.8010(6) -0.2564(4) 0.0232(17) Uani 1 1 d . . .
H31A H 0.4805 -0.7331 -0.2411 0.028 Uiso 1 1 calc R . .
C32 C 0.4888(5) -0.8153(6) -0.3154(4) 0.0231(17) Uani 1 1 d . . .
H32A H 0.4931 -0.7577 -0.3395 0.028 Uiso 1 1 calc R . .
C33 C 0.4895(5) -0.9161(6) -0.3378(4) 0.0216(17) Uani 1 1 d . . .
C34 C 0.4852(5) -1.0019(6) -0.3021(4) 0.0255(18) Uani 1 1 d . . .
H34A H 0.4873 -1.0695 -0.3174 0.031 Uiso 1 1 calc R . .
C35 C 0.4777(5) -0.9876(6) -0.2430(4) 0.0247(18) Uani 1 1 d . . .
H35A H 0.4735 -1.0455 -0.2191 0.030 Uiso 1 1 calc R . .
C36 C 0.6112(5) -0.9441(6) -0.3805(4) 0.0191(16) Uani 1 1 d . . .
C37 C 0.6599(5) -0.8543(6) -0.3730(4) 0.0242(17) Uani 1 1 d . . .
H37A H 0.6330 -0.7891 -0.3881 0.029 Uiso 1 1 calc R . .
C38 C 0.7491(5) -0.8633(6) -0.3430(4) 0.0205(16) Uani 1 1 d . . .
H38A H 0.7823 -0.8039 -0.3379 0.025 Uiso 1 1 calc R . .
C39 C 0.7886(5) -0.9598(6) -0.3205(4) 0.0200(16) Uani 1 1 d . . .
C40 C 0.7396(5) -1.0471(7) -0.3273(5) 0.031(2) Uani 1 1 d . . .
H40A H 0.7669 -1.1117 -0.3108 0.037 Uiso 1 1 calc R . .
C41 C 0.6500(5) -1.0410(7) -0.3584(5) 0.0296(19) Uani 1 1 d . . .
H41A H 0.6170 -1.1009 -0.3643 0.036 Uiso 1 1 calc R . .
C42 C 0.8850(5) -0.9688(6) -0.2856(4) 0.0197(16) Uani 1 1 d . . .
O1W O 0.3907(4) -0.8029(5) -0.0681(3) 0.0327(14) Uani 1 1 d . . .
O1 O 0.2247(3) -0.9076(4) -0.0965(3) 0.0221(12) Uani 1 1 d . . .
O2W O 0.4463(3) -1.1130(4) -0.0442(3) 0.0275(13) Uani 1 1 d . . .
O2 O 0.0814(4) -0.8966(4) -0.1428(3) 0.0259(13) Uani 1 1 d . . .
O3W O 0.3883(3) -0.9622(4) 0.0213(3) 0.0227(12) Uani 1 1 d . . .
O3 O 0.2797(3) -0.1238(4) -0.0741(3) 0.0203(11) Uani 1 1 d . . .
O4W O 1.0183(4) -1.1992(4) -0.2588(3) 0.0272(13) Uani 1 1 d . . .
O4 O 0.1350(3) -0.1122(4) -0.1251(3) 0.0217(12) Uani 1 1 d . . .
O5W O 1.0025(4) -1.0181(4) -0.3521(3) 0.0264(13) Uani 1 1 d . . .
O5 O 0.1090(4) -0.5009(4) 0.0900(3) 0.0280(13) Uani 1 1 d . . .
O6 O 0.2698(4) -0.5162(4) 0.1548(3) 0.0291(13) Uani 1 1 d . . .
O7 O 0.2667(3) -0.8811(4) -0.2065(2) 0.0188(11) Uani 1 1 d . . .
O8 O 0.1225(3) -0.8708(4) -0.2541(3) 0.0217(12) Uani 1 1 d . . .
O9 O 0.3171(3) -0.1048(4) -0.1921(3) 0.0216(12) Uani 1 1 d . . .
O10 O 0.1758(3) -0.0883(4) -0.2367(3) 0.0248(12) Uani 1 1 d . . .
O11 O 0.2608(4) -0.4941(4) -0.4409(3) 0.0272(13) Uani 1 1 d . . .
O12 O 0.1009(4) -0.4802(4) -0.4932(3) 0.0287(13) Uani 1 1 d . . .
O13 O 0.4549(3) -0.9480(4) -0.1268(3) 0.0203(11) Uani 1 1 d . . .
O14 O 0.4723(4) -0.7755(5) -0.1362(3) 0.0339(15) Uani 1 1 d . . .
O15 O 0.9216(4) -1.0512(4) -0.2498(3) 0.0299(13) Uani 1 1 d . . .
O16 O 0.9300(3) -0.8959(4) -0.2908(3) 0.0223(12) Uani 1 1 d . . .
O17 O 0.4579(4) -1.0313(5) -0.4458(3) 0.0333(14) Uani 1 1 d . . .
O18 O 0.4686(4) -0.8362(5) -0.4536(3) 0.0322(14) Uani 1 1 d . . .
H1WA H 0.4292 -0.7997 -0.0805 0.039 Uiso 1 1 d R . .
H1WB H 0.3965 -0.7641 -0.0343 0.039 Uiso 1 1 d R . .
H2WA H 0.4796 -1.0914 -0.0027 0.039 Uiso 1 1 d R . .
H2WB H 0.4164 -1.1626 -0.0411 0.039 Uiso 1 1 d R . .
H3WA H 0.3590 -0.9732 0.0413 0.039 Uiso 1 1 d R . .
H3WB H 0.4367 -0.9915 0.0507 0.039 Uiso 1 1 d R . .
H4WA H 0.9682 -1.2022 -0.2629 0.039 Uiso 1 1 d R . .
H4WB H 1.0307 -1.2585 -0.2387 0.039 Uiso 1 1 d R . .
H5WA H 0.9922 -0.9630 -0.3349 0.039 Uiso 1 1 d R . .
H5WB H 1.0277 -1.0179 -0.3760 0.039 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 O1 2.277(5) . ?
Dy1 O7 2.287(5) . ?
Dy1 O3 2.357(5) 1_545 ?
Dy1 O9 2.363(5) 1_545 ?
Dy1 O13 2.412(5) . ?
Dy1 O1W 2.428(6) . ?
Dy1 O2W 2.443(5) . ?
Dy1 O3W 2.508(5) . ?
Dy2 O10 2.265(5) 1_645 ?
Dy2 O4 2.285(5) 1_645 ?
Dy2 O2 2.310(5) 1_655 ?
Dy2 O8 2.342(5) 1_655 ?
Dy2 O15 2.385(6) . ?
Dy2 O5W 2.425(5) . ?
Dy2 O4W 2.436(5) . ?
Dy2 O16 2.612(5) . ?
Dy2 C42 2.870(8) . ?
Dy2 H5WA 2.1979 . ?
S1 O6 1.426(6) . ?
S1 O5 1.445(6) . ?
S1 C5 1.768(7) . ?
S1 C8 1.771(8) . ?
S2 O12 1.436(6) . ?
S2 O11 1.437(6) . ?
S2 C19 1.766(7) . ?
S2 C22 1.782(7) . ?
S3 O17 1.439(6) . ?
S3 O18 1.443(6) . ?
S3 C36 1.760(7) . ?
S3 C33 1.787(8) . ?
C1 O2 1.251(9) . ?
C1 O1 1.280(9) . ?
C1 C2 1.494(10) . ?
C2 C7 1.362(11) . ?
C2 C3 1.374(11) . ?
C3 C4 1.388(11) . ?
C3 H3A 0.9300 . ?
C4 C5 1.381(11) . ?
C4 H4A 0.9300 . ?
C5 C6 1.373(11) . ?
C6 C7 1.391(11) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 C9 1.377(10) . ?
C8 C13 1.378(11) . ?
C9 C10 1.391(11) . ?
C9 H9A 0.9300 . ?
C10 C11 1.383(10) . ?
C10 H10A 0.9300 . ?
C11 C12 1.378(11) . ?
C11 C14 1.506(10) . ?
C12 C13 1.401(11) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 O4 1.249(9) . ?
C14 O3 1.270(9) . ?
C15 O7 1.258(9) . ?
C15 O8 1.260(9) . ?
C15 C16 1.507(10) . ?
C16 C21 1.373(11) . ?
C16 C17 1.378(10) . ?
C17 C18 1.392(10) . ?
C17 H17A 0.9300 . ?
C18 C19 1.379(11) . ?
C18 H18A 0.9300 . ?
C19 C20 1.366(11) . ?
C20 C21 1.384(11) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 C27 1.372(11) . ?
C22 C23 1.379(11) . ?
C23 C24 1.387(11) . ?
C23 H23A 0.9300 . ?
C24 C25 1.380(11) . ?
C24 H24A 0.9300 . ?
C25 C26 1.392(10) . ?
C25 C28 1.516(10) . ?
C26 C27 1.382(10) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C28 O9 1.246(9) . ?
C28 O10 1.255(9) . ?
C29 O14 1.245(10) . ?
C29 O13 1.293(9) . ?
C29 C30 1.500(10) . ?
C30 C31 1.380(11) . ?
C30 C35 1.387(11) . ?
C31 C32 1.383(11) . ?
C31 H31A 0.9300 . ?
C32 C33 1.374(11) . ?
C32 H32A 0.9300 . ?
C33 C34 1.368(11) . ?
C34 C35 1.390(11) . ?
C34 H34A 0.9300 . ?
C35 H35A 0.9300 . ?
C36 C41 1.375(11) . ?
C36 C37 1.391(11) . ?
C37 C38 1.386(11) . ?
C37 H37A 0.9300 . ?
C38 C39 1.376(11) . ?
C38 H38A 0.9300 . ?
C39 C40 1.370(11) . ?
C39 C42 1.493(11) . ?
C40 C41 1.388(11) . ?
C40 H40A 0.9300 . ?
C41 H41A 0.9300 . ?
C42 O16 1.266(9) . ?
C42 O15 1.277(9) . ?
O1W H1WA 0.8542 . ?
O1W H1WB 0.8576 . ?
O2W H2WA 0.8542 . ?
O2W H2WB 0.8487 . ?
O2 Dy2 2.310(5) 1_455 ?
O3W H3WA 0.8464 . ?
O3W H3WB 0.8629 . ?
O3 Dy1 2.357(5) 1_565 ?
O4W H4WA 0.8507 . ?
O4W H4WB 0.8457 . ?
O4 Dy2 2.285(5) 1_465 ?
O5W H5WA 0.8572 . ?
O5W H5WB 0.8459 . ?
O8 Dy2 2.342(5) 1_455 ?
O9 Dy1 2.363(5) 1_565 ?
O10 Dy2 2.265(5) 1_465 ?

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 O7 78.73(18) . . ?
O1 Dy1 O3 76.61(18) . 1_545 ?
O7 Dy1 O3 128.07(18) . 1_545 ?
O1 Dy1 O9 124.59(18) . 1_545 ?
O7 Dy1 O9 78.66(18) . 1_545 ?
O3 Dy1 O9 79.04(18) 1_545 1_545 ?
O1 Dy1 O13 146.58(18) . . ?
O7 Dy1 O13 80.13(17) . . ?
O3 Dy1 O13 136.59(18) 1_545 . ?
O9 Dy1 O13 75.41(18) 1_545 . ?
O1 Dy1 O1W 79.3(2) . . ?
O7 Dy1 O1W 76.28(19) . . ?
O3 Dy1 O1W 140.25(17) 1_545 . ?
O9 Dy1 O1W 140.57(18) 1_545 . ?
O13 Dy1 O1W 70.69(19) . . ?
O1 Dy1 O2W 135.77(18) . . ?
O7 Dy1 O2W 144.84(19) . . ?
O3 Dy1 O2W 68.38(18) 1_545 . ?
O9 Dy1 O2W 74.69(18) 1_545 . ?
O13 Dy1 O2W 71.32(18) . . ?
O1W Dy1 O2W 111.6(2) . . ?
O1 Dy1 O3W 73.28(18) . . ?
O7 Dy1 O3W 139.50(18) . . ?
O3 Dy1 O3W 72.72(17) 1_545 . ?
O9 Dy1 O3W 141.69(18) 1_545 . ?
O13 Dy1 O3W 108.65(17) . . ?
O1W Dy1 O3W 70.28(18) . . ?
O2W Dy1 O3W 71.16(18) . . ?
O10 Dy2 O4 79.5(2) 1_645 1_645 ?
O10 Dy2 O2 125.19(19) 1_645 1_655 ?
O4 Dy2 O2 76.98(19) 1_645 1_655 ?
O10 Dy2 O8 77.43(19) 1_645 1_655 ?
O4 Dy2 O8 125.52(18) 1_645 1_655 ?
O2 Dy2 O8 77.45(19) 1_655 1_655 ?
O10 Dy2 O15 142.7(2) 1_645 . ?
O4 Dy2 O15 96.80(19) 1_645 . ?
O2 Dy2 O15 89.0(2) 1_655 . ?
O8 Dy2 O15 129.84(18) 1_655 . ?
O10 Dy2 O5W 79.34(19) 1_645 . ?
O4 Dy2 O5W 146.92(19) 1_645 . ?
O2 Dy2 O5W 136.09(19) 1_655 . ?
O8 Dy2 O5W 73.52(18) 1_655 . ?
O15 Dy2 O5W 85.08(19) . . ?
O10 Dy2 O4W 77.59(19) 1_645 . ?
O4 Dy2 O4W 74.41(19) 1_645 . ?
O2 Dy2 O4W 138.8(2) 1_655 . ?
O8 Dy2 O4W 143.77(19) 1_655 . ?
O15 Dy2 O4W 65.85(19) . . ?
O5W Dy2 O4W 76.40(19) . . ?
O10 Dy2 O16 142.09(18) 1_645 . ?
O4 Dy2 O16 138.40(18) 1_645 . ?
O2 Dy2 O16 75.80(18) 1_655 . ?
O8 Dy2 O16 77.70(17) 1_655 . ?
O15 Dy2 O16 52.13(17) . . ?
O5W Dy2 O16 66.40(18) . . ?
O4W Dy2 O16 108.00(17) . . ?
O10 Dy2 C42 150.1(2) 1_645 . ?
O4 Dy2 C42 119.8(2) 1_645 . ?
O2 Dy2 C42 83.4(2) 1_655 . ?
O8 Dy2 C42 103.80(19) 1_655 . ?
O15 Dy2 C42 26.09(19) . . ?
O5W Dy2 C42 72.6(2) . . ?
O4W Dy2 C42 85.74(19) . . ?
O16 Dy2 C42 26.16(18) . . ?
O10 Dy2 H5WA 95.1 1_645 . ?
O4 Dy2 H5WA 166.7 1_645 . ?
O2 Dy2 H5WA 115.7 1_655 . ?
O8 Dy2 H5WA 64.1 1_655 . ?
O15 Dy2 H5WA 80.0 . . ?
O5W Dy2 H5WA 20.6 . . ?
O4W Dy2 H5WA 92.6 . . ?
O16 Dy2 H5WA 48.0 . . ?
C42 Dy2 H5WA 60.7 . . ?
O6 S1 O5 120.1(4) . . ?
O6 S1 C5 108.9(3) . . ?
O5 S1 C5 107.5(4) . . ?
O6 S1 C8 108.4(4) . . ?
O5 S1 C8 107.2(4) . . ?
C5 S1 C8 103.4(3) . . ?
O12 S2 O11 119.8(4) . . ?
O12 S2 C19 108.6(4) . . ?
O11 S2 C19 108.1(3) . . ?
O12 S2 C22 108.7(3) . . ?
O11 S2 C22 106.9(3) . . ?
C19 S2 C22 103.5(3) . . ?
O17 S3 O18 120.0(4) . . ?
O17 S3 C36 109.1(4) . . ?
O18 S3 C36 109.0(4) . . ?
O17 S3 C33 107.6(4) . . ?
O18 S3 C33 106.8(4) . . ?
C36 S3 C33 103.1(3) . . ?
O2 C1 O1 123.3(7) . . ?
O2 C1 C2 118.7(6) . . ?
O1 C1 C2 118.1(6) . . ?
C7 C2 C3 119.3(7) . . ?
C7 C2 C1 122.7(7) . . ?
C3 C2 C1 117.9(7) . . ?
C2 C3 C4 121.0(7) . . ?
C2 C3 H3A 119.5 . . ?
C4 C3 H3A 119.5 . . ?
C5 C4 C3 118.4(7) . . ?
C5 C4 H4A 120.8 . . ?
C3 C4 H4A 120.8 . . ?
C6 C5 C4 121.4(7) . . ?
C6 C5 S1 119.8(6) . . ?
C4 C5 S1 118.7(6) . . ?
C5 C6 C7 118.5(8) . . ?
C5 C6 H6A 120.8 . . ?
C7 C6 H6A 120.8 . . ?
C2 C7 C6 121.3(7) . . ?
C2 C7 H7A 119.3 . . ?
C6 C7 H7A 119.3 . . ?
C9 C8 C13 121.2(7) . . ?
C9 C8 S1 119.7(6) . . ?
C13 C8 S1 119.1(6) . . ?
C8 C9 C10 119.3(7) . . ?
C8 C9 H9A 120.3 . . ?
C10 C9 H9A 120.3 . . ?
C11 C10 C9 120.3(7) . . ?
C11 C10 H10A 119.9 . . ?
C9 C10 H10A 119.9 . . ?
C12 C11 C10 119.8(7) . . ?
C12 C11 C14 122.1(7) . . ?
C10 C11 C14 118.1(6) . . ?
C11 C12 C13 120.3(8) . . ?
C11 C12 H12A 119.9 . . ?
C13 C12 H12A 119.9 . . ?
C8 C13 C12 119.0(7) . . ?
C8 C13 H13A 120.5 . . ?
C12 C13 H13A 120.5 . . ?
O4 C14 O3 125.6(7) . . ?
O4 C14 C11 117.2(6) . . ?
O3 C14 C11 117.2(6) . . ?
O7 C15 O8 125.5(7) . . ?
O7 C15 C16 117.3(7) . . ?
O8 C15 C16 117.1(6) . . ?
C21 C16 C17 119.7(7) . . ?
C21 C16 C15 120.0(7) . . ?
C17 C16 C15 120.3(7) . . ?
C16 C17 C18 120.5(7) . . ?
C16 C17 H17A 119.8 . . ?
C18 C17 H17A 119.8 . . ?
C19 C18 C17 118.9(7) . . ?
C19 C18 H18A 120.5 . . ?
C17 C18 H18A 120.5 . . ?
C20 C19 C18 120.6(7) . . ?
C20 C19 S2 120.0(6) . . ?
C18 C19 S2 119.4(6) . . ?
C19 C20 C21 120.3(8) . . ?
C19 C20 H20A 119.9 . . ?
C21 C20 H20A 119.9 . . ?
C16 C21 C20 120.0(7) . . ?
C16 C21 H21A 120.0 . . ?
C20 C21 H21A 120.0 . . ?
C27 C22 C23 121.6(7) . . ?
C27 C22 S2 119.8(6) . . ?
C23 C22 S2 118.6(6) . . ?
C22 C23 C24 118.4(7) . . ?
C22 C23 H23A 120.8 . . ?
C24 C23 H23A 120.8 . . ?
C25 C24 C23 120.8(7) . . ?
C25 C24 H24A 119.6 . . ?
C23 C24 H24A 119.6 . . ?
C24 C25 C26 119.9(7) . . ?
C24 C25 C28 120.4(7) . . ?
C26 C25 C28 119.6(7) . . ?
C27 C26 C25 119.4(7) . . ?
C27 C26 H26A 120.3 . . ?
C25 C26 H26A 120.3 . . ?
C22 C27 C26 119.9(7) . . ?
C22 C27 H27A 120.1 . . ?
C26 C27 H27A 120.1 . . ?
O9 C28 O10 123.6(7) . . ?
O9 C28 C25 118.5(7) . . ?
O10 C28 C25 117.7(7) . . ?
O14 C29 O13 123.6(7) . . ?
O14 C29 C30 117.8(7) . . ?
O13 C29 C30 118.6(7) . . ?
C31 C30 C35 119.7(7) . . ?
C31 C30 C29 119.3(7) . . ?
C35 C30 C29 121.0(7) . . ?
C30 C31 C32 120.7(7) . . ?
C30 C31 H31A 119.6 . . ?
C32 C31 H31A 119.6 . . ?
C33 C32 C31 119.0(7) . . ?
C33 C32 H32A 120.5 . . ?
C31 C32 H32A 120.5 . . ?
C34 C33 C32 121.3(7) . . ?
C34 C33 S3 120.4(6) . . ?
C32 C33 S3 118.2(6) . . ?
C33 C34 C35 119.8(7) . . ?
C33 C34 H34A 120.1 . . ?
C35 C34 H34A 120.1 . . ?
C30 C35 C34 119.5(7) . . ?
C30 C35 H35A 120.2 . . ?
C34 C35 H35A 120.2 . . ?
C41 C36 C37 121.2(7) . . ?
C41 C36 S3 119.2(6) . . ?
C37 C36 S3 119.5(6) . . ?
C38 C37 C36 119.0(7) . . ?
C38 C37 H37A 120.5 . . ?
C36 C37 H37A 120.5 . . ?
C39 C38 C37 120.2(7) . . ?
C39 C38 H38A 119.9 . . ?
C37 C38 H38A 119.9 . . ?
C40 C39 C38 119.9(7) . . ?
C40 C39 C42 119.9(7) . . ?
C38 C39 C42 120.2(7) . . ?
C39 C40 C41 121.3(8) . . ?
C39 C40 H40A 119.4 . . ?
C41 C40 H40A 119.4 . . ?
C36 C41 C40 118.4(8) . . ?
C36 C41 H41A 120.8 . . ?
C40 C41 H41A 120.8 . . ?
O16 C42 O15 120.3(7) . . ?
O16 C42 C39 120.8(7) . . ?
O15 C42 C39 118.9(7) . . ?
O16 C42 Dy2 65.5(4) . . ?
O15 C42 Dy2 55.2(4) . . ?
C39 C42 Dy2 171.4(5) . . ?
Dy1 O1W H1WA 100.5 . . ?
Dy1 O1W H1WB 133.5 . . ?
H1WA O1W H1WB 118.9 . . ?
C1 O1 Dy1 172.4(5) . . ?
Dy1 O2W H2WA 108.6 . . ?
Dy1 O2W H2WB 101.4 . . ?
H2WA O2W H2WB 106.1 . . ?
C1 O2 Dy2 117.6(5) . 1_455 ?
Dy1 O3W H3WA 126.2 . . ?
Dy1 O3W H3WB 119.2 . . ?
H3WA O3W H3WB 100.1 . . ?
C14 O3 Dy1 136.4(5) . 1_565 ?
Dy2 O4W H4WA 105.3 . . ?
Dy2 O4W H4WB 136.5 . . ?
H4WA O4W H4WB 90.0 . . ?
C14 O4 Dy2 143.4(5) . 1_465 ?
Dy2 O5W H5WA 64.6 . . ?
Dy2 O5W H5WB 128.9 . . ?
H5WA O5W H5WB 124.8 . . ?
C15 O7 Dy1 141.6(5) . . ?
C15 O8 Dy2 137.5(5) . 1_455 ?
C28 O9 Dy1 116.4(5) . 1_565 ?
C28 O10 Dy2 174.4(5) . 1_465 ?
C29 O13 Dy1 128.1(5) . . ?
C42 O15 Dy2 98.7(5) . . ?
C42 O16 Dy2 88.4(4) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.01
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.000
_refine_diff_density_min         -0.912
_refine_diff_density_rms         0.153
_database_code_depnum_ccdc_archive 'CCDC 1009602'
