# 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
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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data_1
#TrackingRef 'Zhang.CIF'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'H10 Dy4 O23 S4'
_chemical_formula_weight         1156.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 '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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Othorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   10.2877(5)
_cell_length_b                   10.7888(5)
_cell_length_c                   16.6377(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1846.65(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.159
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2088
_exptl_absorpt_coefficient_mu    16.567
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.1038
_exptl_absorpt_correction_T_max  0.2881
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11240
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         27.00
_reflns_number_total             4003
_reflns_number_gt                3973
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0382P)²+0.3164P] 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     SHELXL
_refine_ls_extinction_coef       0.00373(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.026(11)
_refine_ls_number_reflns         4003
_refine_ls_number_parameters     267
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0189
_refine_ls_R_factor_gt           0.0186
_refine_ls_wR_factor_ref         0.0523
_refine_ls_wR_factor_gt          0.0521
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_restrained_S_all      0.920
_refine_ls_shift/su_max          0.002
_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 0.44405(2) 0.51915(3) 0.805660(16) 0.00889(7) Uani 1 1 d . . .
Dy2 Dy 0.07080(3) 0.47926(3) 0.787589(17) 0.00903(8) Uani 1 1 d . . .
Dy3 Dy 0.25777(2) 0.30588(2) 0.948414(18) 0.00924(8) Uani 1 1 d . . .
Dy4 Dy 0.21757(2) 0.66024(2) 0.957266(18) 0.01016(8) Uani 1 1 d . . .
S1 S 0.52951(14) 0.33523(13) 0.61634(9) 0.0119(3) Uani 1 1 d . . .
S2 S 0.54747(14) 0.21452(15) 0.87271(9) 0.0117(3) Uani 1 1 d . . .
S3 S -0.07516(13) 0.75367(13) 0.87598(9) 0.0097(3) Uani 1 1 d . . .
S4 S 0.04521(13) 0.71422(14) 0.63109(9) 0.0112(3) Uani 1 1 d . . .
O1 O 0.6677(4) 0.3473(5) 0.5923(3) 0.0253(11) Uani 1 1 d . . .
O2 O 0.4442(4) 0.3858(4) 0.5535(3) 0.0203(10) Uani 1 1 d . . .
O3 O 0.5040(5) 0.2006(4) 0.6236(3) 0.0289(12) Uani 1 1 d . . .
O4 O 0.5085(5) 0.4002(4) 0.6919(3) 0.0211(10) Uani 1 1 d . . .
O5 O 0.4115(4) 0.1780(4) 0.8881(3) 0.0206(10) Uani 1 1 d . . .
O6 O 0.6316(4) 0.1744(4) 0.9387(3) 0.0189(10) Uani 1 1 d . . .
O7 O 0.5910(4) 0.1572(4) 0.7972(3) 0.0193(9) Uani 1 1 d . . .
O8 O 0.5542(5) 0.3506(4) 0.8655(3) 0.0219(10) Uani 1 1 d . . .
O9 O -0.1044(5) 0.8390(5) 0.8109(3) 0.0369(15) Uani 1 1 d . . .
O10 O -0.0686(5) 0.6281(4) 0.8436(3) 0.0276(12) Uani 1 1 d . . .
O11 O -0.1799(4) 0.7567(5) 0.9343(3) 0.0289(12) Uani 1 1 d . . .
O12 O 0.0475(4) 0.7879(4) 0.9145(3) 0.0214(10) Uani 1 1 d . . .
O13 O 0.0832(5) 0.8326(5) 0.6647(3) 0.0294(13) Uani 1 1 d . . .
O14 O -0.0992(4) 0.7061(4) 0.6323(3) 0.0193(10) Uani 1 1 d . . .
O15 O 0.0877(4) 0.7037(4) 0.5490(3) 0.0232(10) Uiso 1 1 d . . .
O16 O 0.0969(4) 0.6138(4) 0.6788(3) 0.0215(11) Uani 1 1 d . . .
O17 O 0.3674(4) 0.5010(4) 0.9468(3) 0.0138(8) Uani 1 1 d . . .
H17A H 0.4377 0.5066 0.9863 0.017 Uiso 1 1 calc R . .
O18 O 0.2351(4) 0.6226(3) 0.8218(3) 0.0094(8) Uani 1 1 d . . .
H18A H 0.2295 0.6988 0.7900 0.011 Uiso 1 1 calc R . .
O19 O 0.1122(4) 0.4723(4) 0.9254(2) 0.0106(8) Uani 1 1 d . . .
H19A H 0.0318 0.4622 0.9563 0.013 Uiso 1 1 calc R . .
O20 O 0.2751(2) 0.3796(2) 0.80980(15) 0.0114(8) Uani 1 1 d . . .
H20A H 0.2888 0.3110 0.7722 0.014 Uiso 1 1 calc R . .
O1W O 0.6671(2) 0.5670(2) 0.79910(15) 0.0490(17) Uani 1 1 d R . .
O2W O -0.1387(2) 0.4832(2) 0.70402(15) 0.0215(10) Uani 1 1 d R . .
O3W O 0.2320(2) 0.0886(2) 1.00062(15) 0.0300(12) Uani 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 O7 2.297(4) 3_656 ?
Dy1 O20 2.300(2) . ?
Dy1 O3 2.345(5) 3_656 ?
Dy1 O1W 2.354(2) . ?
Dy1 O8 2.363(4) . ?
Dy1 O4 2.380(4) . ?
Dy1 O18 2.436(4) . ?
Dy1 O17 2.484(4) . ?
Dy1 Dy4 3.7560(4) . ?
Dy1 Dy3 3.8220(4) . ?
Dy1 Dy2 3.8756(4) . ?
Dy2 O9 2.258(5) 3_546 ?
Dy2 O19 2.334(4) . ?
Dy2 O16 2.336(4) . ?
Dy2 O10 2.346(4) . ?
Dy2 O18 2.361(4) . ?
Dy2 O13 2.376(5) 3_546 ?
Dy2 O20 2.390(2) . ?
Dy2 O2W 2.566(2) . ?
Dy2 Dy4 3.7499(4) . ?
Dy2 Dy3 3.7893(4) . ?
Dy3 O6 2.293(4) 4_457 ?
Dy3 O15 2.310(5) 2_565 ?
Dy3 O5 2.327(4) . ?
Dy3 O14 2.372(4) 3_546 ?
Dy3 O19 2.369(4) . ?
Dy3 O17 2.389(4) . ?
Dy3 O20 2.446(2) . ?
Dy3 O3W 2.514(2) . ?
Dy3 Dy4 3.8482(4) . ?
Dy4 O11 2.275(5) 4_567 ?
Dy4 O18 2.297(4) . ?
Dy4 O17 2.314(4) . ?
Dy4 O12 2.338(4) . ?
Dy4 O19 2.360(4) . ?
Dy4 O2 2.362(4) 2_565 ?
Dy4 O1 2.479(5) 3_656 ?
S1 O4 1.456(5) . ?
S1 O2 1.470(4) . ?
S1 O1 1.482(5) . ?
S1 O3 1.481(5) . ?
S2 O6 1.463(4) . ?
S2 O7 1.470(5) . ?
S2 O5 1.475(5) . ?
S2 O8 1.474(5) . ?
S3 O11 1.450(4) . ?
S3 O9 1.452(5) . ?
S3 O12 1.463(4) . ?
S3 O10 1.460(5) . ?
S4 O15 1.439(5) . ?
S4 O16 1.445(4) . ?
S4 O13 1.447(5) . ?
S4 O14 1.488(4) . ?
O1 Dy4 2.479(5) 3_646 ?
O2 Dy4 2.362(4) 2_564 ?
O3 Dy1 2.345(5) 3_646 ?
O6 Dy3 2.293(4) 4_557 ?
O7 Dy1 2.297(4) 3_646 ?
O9 Dy2 2.258(5) 3_556 ?
O11 Dy4 2.275(5) 4_467 ?
O13 Dy2 2.376(5) 3_556 ?
O14 Dy3 2.372(4) 3_556 ?
O15 Dy3 2.310(5) 2_564 ?

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
O7 Dy1 O20 109.15(13) 3_656 . ?
O7 Dy1 O3 82.44(17) 3_656 3_656 ?
O20 Dy1 O3 134.69(15) . 3_656 ?
O7 Dy1 O1W 88.63(12) 3_656 . ?
O20 Dy1 O1W 151.80(11) . . ?
O3 Dy1 O1W 67.56(14) 3_656 . ?
O7 Dy1 O8 152.65(17) 3_656 . ?
O20 Dy1 O8 81.14(13) . . ?
O3 Dy1 O8 108.77(16) 3_656 . ?
O1W Dy1 O8 73.80(13) . . ?
O7 Dy1 O4 78.51(16) 3_656 . ?
O20 Dy1 O4 83.21(14) . . ?
O3 Dy1 O4 141.72(19) 3_656 . ?
O1W Dy1 O4 79.03(14) . . ?
O8 Dy1 O4 77.69(17) . . ?
O7 Dy1 O18 69.34(15) 3_656 . ?
O20 Dy1 O18 68.27(11) . . ?
O3 Dy1 O18 76.31(16) 3_656 . ?
O1W Dy1 O18 139.85(10) . . ?
O8 Dy1 O18 136.79(16) . . ?
O4 Dy1 O18 125.48(15) . . ?
O7 Dy1 O17 134.85(15) 3_656 . ?
O20 Dy1 O17 71.36(11) . . ?
O3 Dy1 O17 70.37(16) 3_656 . ?
O1W Dy1 O17 111.75(11) . . ?
O8 Dy1 O17 72.14(16) . . ?
O4 Dy1 O17 142.87(15) . . ?
O18 Dy1 O17 69.61(14) . . ?
O7 Dy1 Dy4 98.07(12) 3_656 . ?
O20 Dy1 Dy4 77.08(6) . . ?
O3 Dy1 Dy4 57.74(14) 3_656 . ?
O1W Dy1 Dy4 123.14(6) . . ?
O8 Dy1 Dy4 109.04(13) . . ?
O4 Dy1 Dy4 157.68(12) . . ?
O18 Dy1 Dy4 36.20(10) . . ?
O17 Dy1 Dy4 36.90(9) . . ?
O7 Dy1 Dy3 140.77(11) 3_656 . ?
O20 Dy1 Dy3 37.68(6) . . ?
O3 Dy1 Dy3 107.76(13) 3_656 . ?
O1W Dy1 Dy3 130.50(6) . . ?
O8 Dy1 Dy3 61.00(12) . . ?
O4 Dy1 Dy3 108.02(12) . . ?
O18 Dy1 Dy3 76.39(10) . . ?
O17 Dy1 Dy3 37.46(9) . . ?
Dy4 Dy1 Dy3 61.029(7) . . ?
O7 Dy1 Dy2 81.88(11) 3_656 . ?
O20 Dy1 Dy2 35.02(6) . . ?
O3 Dy1 Dy2 110.93(13) 3_656 . ?
O1W Dy1 Dy2 170.51(6) . . ?
O8 Dy1 Dy2 114.98(12) . . ?
O4 Dy1 Dy2 98.89(12) . . ?
O18 Dy1 Dy2 35.45(9) . . ?
O17 Dy1 Dy2 75.52(9) . . ?
Dy4 Dy1 Dy2 58.836(7) . . ?
Dy3 Dy1 Dy2 58.974(7) . . ?
O9 Dy2 O19 131.61(18) 3_546 . ?
O9 Dy2 O16 80.5(2) 3_546 . ?
O19 Dy2 O16 139.53(16) . . ?
O9 Dy2 O10 147.24(18) 3_546 . ?
O19 Dy2 O10 75.11(16) . . ?
O16 Dy2 O10 87.33(18) . . ?
O9 Dy2 O18 120.29(19) 3_546 . ?
O19 Dy2 O18 69.71(14) . . ?
O16 Dy2 O18 72.42(15) . . ?
O10 Dy2 O18 83.91(15) . . ?
O9 Dy2 O13 84.2(2) 3_546 3_546 ?
O19 Dy2 O13 76.81(17) . 3_546 ?
O16 Dy2 O13 138.55(17) . 3_546 ?
O10 Dy2 O13 85.14(18) . 3_546 ?
O18 Dy2 O13 146.41(17) . 3_546 ?
O9 Dy2 O20 71.09(15) 3_546 . ?
O19 Dy2 O20 70.92(11) . . ?
O16 Dy2 O20 107.34(12) . . ?
O10 Dy2 O20 141.64(14) . . ?
O18 Dy2 O20 68.11(11) . . ?
O13 Dy2 O20 103.61(13) 3_546 . ?
O9 Dy2 O2W 75.30(14) 3_546 . ?
O19 Dy2 O2W 133.35(11) . . ?
O16 Dy2 O2W 70.51(12) . . ?
O10 Dy2 O2W 71.96(14) . . ?
O18 Dy2 O2W 136.20(11) . . ?
O13 Dy2 O2W 68.40(13) 3_546 . ?
O20 Dy2 O2W 146.13(11) . . ?
O9 Dy2 Dy4 146.50(13) 3_546 . ?
O19 Dy2 Dy4 37.20(10) . . ?
O16 Dy2 Dy4 102.35(12) . . ?
O10 Dy2 Dy4 65.84(12) . . ?
O18 Dy2 Dy4 35.80(10) . . ?
O13 Dy2 Dy4 111.33(14) 3_546 . ?
O20 Dy2 Dy4 76.33(6) . . ?
O2W Dy2 Dy4 137.54(5) . . ?
O9 Dy2 Dy3 95.97(14) 3_546 . ?
O19 Dy2 Dy3 36.64(10) . . ?
O16 Dy2 Dy3 142.71(10) . . ?
O10 Dy2 Dy3 111.56(14) . . ?
O18 Dy2 Dy3 77.84(10) . . ?
O13 Dy2 Dy3 76.92(12) 3_546 . ?
O20 Dy2 Dy3 38.94(6) . . ?
O2W Dy2 Dy3 144.82(5) . . ?
Dy4 Dy2 Dy3 61.382(8) . . ?
O9 Dy2 Dy1 88.79(14) 3_546 . ?
O19 Dy2 Dy1 75.32(9) . . ?
O16 Dy2 Dy1 82.94(10) . . ?
O10 Dy2 Dy1 119.93(12) . . ?
O18 Dy2 Dy1 36.77(9) . . ?
O13 Dy2 Dy1 135.13(11) 3_546 . ?
O20 Dy2 Dy1 33.53(6) . . ?
O2W Dy2 Dy1 150.77(5) . . ?
Dy4 Dy2 Dy1 58.991(7) . . ?
Dy3 Dy2 Dy1 59.808(7) . . ?
O6 Dy3 O15 78.51(16) 4_457 2_565 ?
O6 Dy3 O5 142.50(16) 4_457 . ?
O15 Dy3 O5 79.50(17) 2_565 . ?
O6 Dy3 O14 96.69(16) 4_457 3_546 ?
O15 Dy3 O14 149.69(17) 2_565 3_546 ?
O5 Dy3 O14 87.38(16) . 3_546 ?
O6 Dy3 O19 72.78(15) 4_457 . ?
O15 Dy3 O19 125.86(15) 2_565 . ?
O5 Dy3 O19 144.05(15) . . ?
O14 Dy3 O19 79.50(15) 3_546 . ?
O6 Dy3 O17 101.24(15) 4_457 . ?
O15 Dy3 O17 73.90(15) 2_565 . ?
O5 Dy3 O17 101.34(15) . . ?
O14 Dy3 O17 135.92(16) 3_546 . ?
O19 Dy3 O17 68.19(14) . . ?
O6 Dy3 O20 141.56(12) 4_457 . ?
O15 Dy3 O20 130.31(13) 2_565 . ?
O5 Dy3 O20 74.73(13) . . ?
O14 Dy3 O20 70.36(13) 3_546 . ?
O19 Dy3 O20 69.35(12) . . ?
O17 Dy3 O20 70.61(12) . . ?
O6 Dy3 O3W 75.16(12) 4_457 . ?
O15 Dy3 O3W 77.33(13) 2_565 . ?
O5 Dy3 O3W 70.60(13) . . ?
O14 Dy3 O3W 72.54(14) 3_546 . ?
O19 Dy3 O3W 134.10(11) . . ?
O17 Dy3 O3W 151.12(11) . . ?
O20 Dy3 O3W 129.55(10) . . ?
O6 Dy3 Dy2 104.19(11) 4_457 . ?
O15 Dy3 Dy2 151.97(12) 2_565 . ?
O5 Dy3 Dy2 109.47(12) . . ?
O14 Dy3 Dy2 58.33(12) 3_546 . ?
O19 Dy3 Dy2 36.00(10) . . ?
O17 Dy3 Dy2 78.25(10) . . ?
O20 Dy3 Dy2 37.88(6) . . ?
O3W Dy3 Dy2 130.61(6) . . ?
O6 Dy3 Dy1 137.48(11) 4_457 . ?
O15 Dy3 Dy1 97.57(12) 2_565 . ?
O5 Dy3 Dy1 75.40(12) . . ?
O14 Dy3 Dy1 105.44(12) 3_546 . ?
O19 Dy3 Dy1 76.14(10) . . ?
O17 Dy3 Dy1 39.24(10) . . ?
O20 Dy3 Dy1 35.09(5) . . ?
O3W Dy3 Dy1 145.98(6) . . ?
Dy2 Dy3 Dy1 61.218(8) . . ?
O6 Dy3 Dy4 79.38(11) 4_457 . ?
O15 Dy3 Dy4 95.20(11) 2_565 . ?
O5 Dy3 Dy4 132.73(12) . . ?
O14 Dy3 Dy4 113.50(12) 3_546 . ?
O19 Dy3 Dy4 35.45(10) . . ?
O17 Dy3 Dy4 34.46(9) . . ?
O20 Dy3 Dy4 73.78(6) . . ?
O3W Dy3 Dy4 154.40(6) . . ?
Dy2 Dy3 Dy4 58.805(7) . . ?
Dy1 Dy3 Dy4 58.639(7) . . ?
O11 Dy4 O18 144.26(17) 4_567 . ?
O11 Dy4 O17 92.49(16) 4_567 . ?
O18 Dy4 O17 75.06(14) . . ?
O11 Dy4 O12 110.89(18) 4_567 . ?
O18 Dy4 O12 82.21(16) . . ?
O17 Dy4 O12 155.88(16) . . ?
O11 Dy4 O19 136.88(17) 4_567 . ?
O18 Dy4 O19 70.35(14) . . ?
O17 Dy4 O19 69.59(14) . . ?
O12 Dy4 O19 95.41(15) . . ?
O11 Dy4 O2 82.64(17) 4_567 2_565 ?
O18 Dy4 O2 133.08(15) . 2_565 ?
O17 Dy4 O2 111.36(15) . 2_565 ?
O12 Dy4 O2 78.65(16) . 2_565 ?
O19 Dy4 O2 69.37(15) . 2_565 ?
O11 Dy4 O1 73.88(19) 4_567 3_656 ?
O18 Dy4 O1 77.31(15) . 3_656 ?
O17 Dy4 O1 105.19(15) . 3_656 ?
O12 Dy4 O1 77.01(16) . 3_656 ?
O19 Dy4 O1 147.52(16) . 3_656 ?
O2 Dy4 O1 137.07(15) 2_565 3_656 ?
O11 Dy4 Dy2 171.60(13) 4_567 . ?
O18 Dy4 Dy2 36.96(9) . . ?
O17 Dy4 Dy2 79.91(10) . . ?
O12 Dy4 Dy2 77.07(12) . . ?
O19 Dy4 Dy2 36.73(10) . . ?
O2 Dy4 Dy2 96.72(11) 2_565 . ?
O1 Dy4 Dy2 111.41(12) 3_656 . ?
O11 Dy4 Dy1 113.88(12) 4_567 . ?
O18 Dy4 Dy1 38.80(10) . . ?
O17 Dy4 Dy1 40.13(11) . . ?
O12 Dy4 Dy1 119.90(12) . . ?
O19 Dy4 Dy1 77.64(10) . . ?
O2 Dy4 Dy1 143.80(10) 2_565 . ?
O1 Dy4 Dy1 79.11(11) 3_656 . ?
Dy2 Dy4 Dy1 62.173(8) . . ?
O11 Dy4 Dy3 111.84(13) 4_567 . ?
O18 Dy4 Dy3 77.18(10) . . ?
O17 Dy4 Dy3 35.73(10) . . ?
O12 Dy4 Dy3 130.86(11) . . ?
O19 Dy4 Dy3 35.61(9) . . ?
O2 Dy4 Dy3 83.84(10) 2_565 . ?
O1 Dy4 Dy3 138.14(11) 3_656 . ?
Dy2 Dy4 Dy3 59.813(7) . . ?
Dy1 Dy4 Dy3 60.332(7) . . ?
O4 S1 O2 110.3(3) . . ?
O4 S1 O1 109.4(3) . . ?
O2 S1 O1 110.3(3) . . ?
O4 S1 O3 112.1(3) . . ?
O2 S1 O3 108.5(3) . . ?
O1 S1 O3 106.1(3) . . ?
O6 S2 O7 109.7(3) . . ?
O6 S2 O5 110.6(3) . . ?
O7 S2 O5 108.9(3) . . ?
O6 S2 O8 109.1(3) . . ?
O7 S2 O8 109.6(3) . . ?
O5 S2 O8 108.9(3) . . ?
O11 S3 O9 109.3(3) . . ?
O11 S3 O12 110.0(3) . . ?
O9 S3 O12 110.2(3) . . ?
O11 S3 O10 107.6(3) . . ?
O9 S3 O10 108.9(3) . . ?
O12 S3 O10 110.9(3) . . ?
O15 S4 O16 110.5(3) . . ?
O15 S4 O13 110.7(3) . . ?
O16 S4 O13 110.5(3) . . ?
O15 S4 O14 108.1(3) . . ?
O16 S4 O14 108.4(3) . . ?
O13 S4 O14 108.4(3) . . ?
S1 O1 Dy4 118.3(3) . 3_646 ?
S1 O2 Dy4 145.5(3) . 2_564 ?
S1 O3 Dy1 145.0(3) . 3_646 ?
S1 O4 Dy1 170.9(3) . . ?
S2 O5 Dy3 124.1(3) . . ?
S2 O6 Dy3 157.2(3) . 4_557 ?
S2 O7 Dy1 149.5(3) . 3_646 ?
S2 O8 Dy1 141.1(3) . . ?
S3 O9 Dy2 159.1(3) . 3_556 ?
S3 O10 Dy2 144.1(3) . . ?
S3 O11 Dy4 152.2(3) . 4_467 ?
S3 O12 Dy4 129.1(3) . . ?
S4 O13 Dy2 122.4(3) . 3_556 ?
S4 O14 Dy3 130.7(3) . 3_556 ?
S4 O15 Dy3 154.2(3) . 2_564 ?
S4 O16 Dy2 148.1(3) . . ?
Dy4 O17 Dy3 109.82(15) . . ?
Dy4 O17 Dy1 102.97(16) . . ?
Dy3 O17 Dy1 103.30(15) . . ?
Dy4 O18 Dy2 107.24(16) . . ?
Dy4 O18 Dy1 105.00(15) . . ?
Dy2 O18 Dy1 107.77(15) . . ?
Dy2 O19 Dy4 106.07(16) . . ?
Dy2 O19 Dy3 107.37(16) . . ?
Dy4 O19 Dy3 108.94(15) . . ?
Dy1 O20 Dy2 111.45(9) . . ?
Dy1 O20 Dy3 107.23(10) . . ?
Dy2 O20 Dy3 103.17(9) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.295
_refine_diff_density_min         -1.171
_refine_diff_density_rms         0.222
_database_code_depnum_ccdc_archive 'CCDC 919804'
#######################################################################
#
#                 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
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_2
#TrackingRef 'Zhang.CIF'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C2 H16 Dy4 O26 S3'
_chemical_formula_weight         1202.33

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'
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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbcm

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

_cell_length_a                   9.4145(8)
_cell_length_b                   14.6978(12)
_cell_length_c                   15.2089(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2104.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.795
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2192
_exptl_absorpt_coefficient_mu    14.459
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.0730
_exptl_absorpt_correction_T_max  0.2758
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9358
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.68
_diffrn_reflns_theta_max         27.00
_reflns_number_total             2383
_reflns_number_gt                2149
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0850P)²+3.6023P] 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         2383
_refine_ls_number_parameters     181
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.1178
_refine_ls_wR_factor_gt          0.1131
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.078
_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 0.74160(5) 0.74897(3) 0.2500 0.01156(18) Uani 1 2 d S . .
Dy2 Dy 0.41367(6) 0.90520(3) 0.2500 0.01071(17) Uani 1 2 d S . .
Dy3 Dy 0.74146(4) 0.97255(2) 0.37792(3) 0.01064(16) Uani 1 1 d . . .
S1 S 0.5854(2) 0.58346(12) 0.09322(13) 0.0127(4) Uani 1 1 d . A .
S2 S 1.0474(3) 0.63343(17) 0.2500 0.0135(5) Uani 1 2 d S . .
O1 O 0.6094(8) 1.0115(5) 0.2500 0.0102(14) Uani 1 2 d S . .
H1A H 0.5780 1.0751 0.2500 0.012 Uiso 1 2 calc SR . .
O2 O 0.5964(6) 0.8499(3) 0.3384(4) 0.0132(11) Uani 1 1 d . . .
H2A H 0.5589 0.8186 0.3904 0.016 Uiso 1 1 calc R . .
O3 O 0.8380(9) 0.8959(5) 0.2500 0.0113(15) Uani 1 2 d S . .
H3A H 0.9420 0.8953 0.2500 0.014 Uiso 1 2 calc SR A .
O4 O 0.6381(8) 0.5001(5) 0.1343(5) 0.0347(18) Uani 1 1 d . . .
O5 O 0.5974(7) 0.6580(4) 0.1572(4) 0.0227(14) Uani 1 1 d . . .
O6 O 0.6705(7) 0.6052(4) 0.0153(4) 0.0173(12) Uani 1 1 d . . .
O7 O 0.4348(7) 0.5719(4) 0.0687(4) 0.0224(13) Uani 1 1 d . . .
O8 O 0.8918(9) 0.6135(6) 0.2500 0.0220(18) Uani 1 2 d S . .
O9 O 1.1138(7) 0.5945(4) 0.1717(4) 0.0243(14) Uani 1 1 d . . .
O10 O 1.0588(11) 0.7327(6) 0.2500 0.030(2) Uani 1 2 d S . .
O11 O 0.8380(6) 1.0600(4) 0.4992(4) 0.0172(12) Uani 1 1 d . . .
O12 O 1.0320(7) 1.0800(4) 0.5816(4) 0.0218(13) Uani 1 1 d . . .
C1 C 0.9648(9) 1.0399(5) 0.5242(5) 0.0164(17) Uani 1 1 d . . .
O1W O 0.3235(16) 0.7728(10) 0.3166(10) 0.048(6) Uani 0.60(2) 1 d P A 1
O1W' O 0.2930(17) 0.8225(9) 0.3672(10) 0.014(4) Uani 0.40(2) 1 d P A 2
O2W O 0.1527(12) 0.9311(7) 0.2500 0.047(3) Uani 1 2 d S A .
O3W O 0.8439(7) 0.7467(4) 0.1053(4) 0.0251(14) Uani 1 1 d . . .
O4W O 1.0825(14) 0.7500 0.0000 0.070(5) Uani 1 2 d S . .


_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 O3 2.343(7) . ?
Dy1 O5 2.372(6) . ?
Dy1 O5 2.372(6) 6_556 ?
Dy1 O3W 2.403(6) 6_556 ?
Dy1 O3W 2.403(6) . ?
Dy1 O2 2.424(5) 6_556 ?
Dy1 O2 2.424(5) . ?
Dy1 O8 2.442(9) . ?
Dy1 Dy3 3.8189(6) . ?
Dy1 Dy3 3.8189(6) 6_556 ?
Dy1 Dy2 3.8476(7) . ?
Dy2 O4 2.298(6) 3_655 ?
Dy2 O4 2.298(6) 8_665 ?
Dy2 O2 2.330(6) . ?
Dy2 O2 2.330(6) 6_556 ?
Dy2 O1W 2.352(12) 6_556 ?
Dy2 O1W 2.352(12) . ?
Dy2 O1 2.416(7) . ?
Dy2 O1W' 2.439(14) 6_556 ?
Dy2 O1W' 2.439(14) . ?
Dy2 O2W 2.486(11) . ?
Dy2 Dy3 3.7800(6) . ?
Dy2 Dy3 3.7800(6) 6_556 ?
Dy3 O2 2.340(5) . ?
Dy3 O12 2.351(6) 5_776 ?
Dy3 O7 2.354(6) 3_655 ?
Dy3 O9 2.374(6) 3_755 ?
Dy3 O1 2.379(4) . ?
Dy3 O11 2.424(5) . ?
Dy3 O3 2.425(4) . ?
Dy3 O6 2.474(5) 7_576 ?
Dy3 Dy3 3.8911(8) 6_556 ?
S1 O4 1.462(7) . ?
S1 O6 1.465(6) . ?
S1 O5 1.469(6) . ?
S1 O7 1.476(6) . ?
S2 O10 1.463(9) . ?
S2 O9 1.462(6) . ?
S2 O9 1.462(6) 6_556 ?
S2 O8 1.493(9) . ?
O1 Dy3 2.379(4) 6_556 ?
O3 Dy3 2.425(4) 6_556 ?
O4 Dy2 2.298(6) 3_645 ?
O6 Dy3 2.474(5) 7_575 ?
O7 Dy3 2.354(6) 3_645 ?
O9 Dy3 2.374(6) 3_745 ?
O11 C1 1.287(10) . ?
O12 C1 1.229(10) . ?
O12 Dy3 2.351(6) 5_776 ?
C1 C1 1.535(15) 5_776 ?

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
O3 Dy1 O5 137.87(18) . . ?
O3 Dy1 O5 137.87(18) . 6_556 ?
O5 Dy1 O5 73.1(3) . 6_556 ?
O3 Dy1 O3W 81.82(16) . 6_556 ?
O5 Dy1 O3W 140.1(2) . 6_556 ?
O5 Dy1 O3W 71.1(2) 6_556 6_556 ?
O3 Dy1 O3W 81.82(16) . . ?
O5 Dy1 O3W 71.1(2) . . ?
O5 Dy1 O3W 140.1(2) 6_556 . ?
O3W Dy1 O3W 132.7(3) 6_556 . ?
O3 Dy1 O2 69.8(2) . 6_556 ?
O5 Dy1 O2 72.1(2) . 6_556 ?
O5 Dy1 O2 110.6(2) 6_556 6_556 ?
O3W Dy1 O2 138.0(2) 6_556 6_556 ?
O3W Dy1 O2 74.1(2) . 6_556 ?
O3 Dy1 O2 69.8(2) . . ?
O5 Dy1 O2 110.6(2) . . ?
O5 Dy1 O2 72.1(2) 6_556 . ?
O3W Dy1 O2 74.1(2) 6_556 . ?
O3W Dy1 O2 138.0(2) . . ?
O2 Dy1 O2 67.4(3) 6_556 . ?
O3 Dy1 O8 121.8(3) . . ?
O5 Dy1 O8 82.6(2) . . ?
O5 Dy1 O8 82.6(2) 6_556 . ?
O3W Dy1 O8 75.90(17) 6_556 . ?
O3W Dy1 O8 75.90(17) . . ?
O2 Dy1 O8 145.62(14) 6_556 . ?
O2 Dy1 O8 145.62(14) . . ?
O3 Dy1 Dy3 37.51(11) . . ?
O5 Dy1 Dy3 142.03(17) . . ?
O5 Dy1 Dy3 100.48(15) 6_556 . ?
O3W Dy1 Dy3 62.97(14) 6_556 . ?
O3W Dy1 Dy3 118.61(14) . . ?
O2 Dy1 Dy3 75.88(13) 6_556 . ?
O2 Dy1 Dy3 35.98(13) . . ?
O8 Dy1 Dy3 134.56(14) . . ?
O3 Dy1 Dy3 37.51(11) . 6_556 ?
O5 Dy1 Dy3 100.48(15) . 6_556 ?
O5 Dy1 Dy3 142.03(17) 6_556 6_556 ?
O3W Dy1 Dy3 118.61(14) 6_556 6_556 ?
O3W Dy1 Dy3 62.97(14) . 6_556 ?
O2 Dy1 Dy3 35.98(13) 6_556 6_556 ?
O2 Dy1 Dy3 75.88(13) . 6_556 ?
O8 Dy1 Dy3 134.56(14) . 6_556 ?
Dy3 Dy1 Dy3 61.254(15) . 6_556 ?
O3 Dy1 Dy2 76.14(19) . . ?
O5 Dy1 Dy2 82.95(17) . . ?
O5 Dy1 Dy2 82.95(17) 6_556 . ?
O3W Dy1 Dy2 109.27(16) 6_556 . ?
O3W Dy1 Dy2 109.27(16) . . ?
O2 Dy1 Dy2 35.16(13) 6_556 . ?
O2 Dy1 Dy2 35.16(13) . . ?
O8 Dy1 Dy2 162.0(2) . . ?
Dy3 Dy1 Dy2 59.081(11) . . ?
Dy3 Dy1 Dy2 59.081(11) 6_556 . ?
O4 Dy2 O4 99.9(4) 3_655 8_665 ?
O4 Dy2 O2 85.8(2) 3_655 . ?
O4 Dy2 O2 144.1(2) 8_665 . ?
O4 Dy2 O2 144.1(2) 3_655 6_556 ?
O4 Dy2 O2 85.8(2) 8_665 6_556 ?
O2 Dy2 O2 70.5(3) . 6_556 ?
O4 Dy2 O1W 139.1(4) 3_655 6_556 ?
O4 Dy2 O1W 95.5(5) 8_665 6_556 ?
O2 Dy2 O1W 103.1(5) . 6_556 ?
O2 Dy2 O1W 74.3(4) 6_556 6_556 ?
O4 Dy2 O1W 95.5(5) 3_655 . ?
O4 Dy2 O1W 139.1(4) 8_665 . ?
O2 Dy2 O1W 74.3(4) . . ?
O2 Dy2 O1W 103.1(5) 6_556 . ?
O1W Dy2 O1W 51.0(8) 6_556 . ?
O4 Dy2 O1 76.6(2) 3_655 . ?
O4 Dy2 O1 76.6(2) 8_665 . ?
O2 Dy2 O1 70.3(2) . . ?
O2 Dy2 O1 70.3(2) 6_556 . ?
O1W Dy2 O1 144.1(3) 6_556 . ?
O1W Dy2 O1 144.1(3) . . ?
O4 Dy2 O1W' 139.8(4) 3_655 6_556 ?
O4 Dy2 O1W' 69.1(4) 8_665 6_556 ?
O2 Dy2 O1W' 126.3(4) . 6_556 ?
O2 Dy2 O1W' 75.4(4) 6_556 6_556 ?
O1W Dy2 O1W' 26.5(5) 6_556 6_556 ?
O1W Dy2 O1W' 74.6(6) . 6_556 ?
O1 Dy2 O1W' 132.7(4) . 6_556 ?
O4 Dy2 O1W' 69.1(4) 3_655 . ?
O4 Dy2 O1W' 139.8(4) 8_665 . ?
O2 Dy2 O1W' 75.4(4) . . ?
O2 Dy2 O1W' 126.3(4) 6_556 . ?
O1W Dy2 O1W' 74.6(6) 6_556 . ?
O1W Dy2 O1W' 26.5(5) . . ?
O1 Dy2 O1W' 132.7(4) . . ?
O1W' Dy2 O1W' 94.0(7) 6_556 . ?
O4 Dy2 O2W 72.4(2) 3_655 . ?
O4 Dy2 O2W 72.4(2) 8_665 . ?
O2 Dy2 O2W 141.54(16) . . ?
O2 Dy2 O2W 141.54(16) 6_556 . ?
O1W Dy2 O2W 76.7(4) 6_556 . ?
O1W Dy2 O2W 76.7(4) . . ?
O1 Dy2 O2W 130.9(3) . . ?
O1W' Dy2 O2W 67.4(4) 6_556 . ?
O1W' Dy2 O2W 67.4(4) . . ?
O4 Dy2 Dy3 67.7(2) 3_655 . ?
O4 Dy2 Dy3 114.09(18) 8_665 . ?
O2 Dy2 Dy3 36.06(13) . . ?
O2 Dy2 Dy3 77.63(14) 6_556 . ?
O1W Dy2 Dy3 137.1(4) 6_556 . ?
O1W Dy2 Dy3 106.8(3) . . ?
O1 Dy2 Dy3 37.62(10) . . ?
O1W' Dy2 Dy3 152.5(4) 6_556 . ?
O1W' Dy2 Dy3 97.7(4) . . ?
O2W Dy2 Dy3 140.05(14) . . ?
O4 Dy2 Dy3 114.09(18) 3_655 6_556 ?
O4 Dy2 Dy3 67.7(2) 8_665 6_556 ?
O2 Dy2 Dy3 77.63(14) . 6_556 ?
O2 Dy2 Dy3 36.06(13) 6_556 6_556 ?
O1W Dy2 Dy3 106.8(3) 6_556 6_556 ?
O1W Dy2 Dy3 137.1(4) . 6_556 ?
O1 Dy2 Dy3 37.62(10) . 6_556 ?
O1W' Dy2 Dy3 97.7(4) 6_556 6_556 ?
O1W' Dy2 Dy3 152.5(4) . 6_556 ?
O2W Dy2 Dy3 140.05(14) . 6_556 ?
Dy3 Dy2 Dy3 61.954(16) . 6_556 ?
O2 Dy3 O12 110.09(19) . 5_776 ?
O2 Dy3 O7 98.9(2) . 3_655 ?
O12 Dy3 O7 138.9(2) 5_776 3_655 ?
O2 Dy3 O9 146.6(2) . 3_755 ?
O12 Dy3 O9 79.1(2) 5_776 3_755 ?
O7 Dy3 O9 92.6(2) 3_655 3_755 ?
O2 Dy3 O1 70.8(2) . . ?
O12 Dy3 O1 140.1(2) 5_776 . ?
O7 Dy3 O1 76.4(2) 3_655 . ?
O9 Dy3 O1 81.9(2) 3_755 . ?
O2 Dy3 O11 145.3(2) . . ?
O12 Dy3 O11 68.59(19) 5_776 . ?
O7 Dy3 O11 70.9(2) 3_655 . ?
O9 Dy3 O11 68.1(2) 3_755 . ?
O1 Dy3 O11 133.7(2) . . ?
O2 Dy3 O3 69.8(2) . . ?
O12 Dy3 O3 73.6(2) 5_776 . ?
O7 Dy3 O3 146.0(2) 3_655 . ?
O9 Dy3 O3 83.2(2) 3_755 . ?
O1 Dy3 O3 69.6(2) . . ?
O11 Dy3 O3 135.7(2) . . ?
O2 Dy3 O6 72.74(19) . 7_576 ?
O12 Dy3 O6 82.7(2) 5_776 7_576 ?
O7 Dy3 O6 78.8(2) 3_655 7_576 ?
O9 Dy3 O6 140.5(2) 3_755 7_576 ?
O1 Dy3 O6 131.4(2) . 7_576 ?
O11 Dy3 O6 72.8(2) . 7_576 ?
O3 Dy3 O6 124.36(19) . 7_576 ?
O2 Dy3 Dy2 35.88(13) . . ?
O12 Dy3 Dy2 142.14(14) 5_776 . ?
O7 Dy3 Dy2 76.38(16) 3_655 . ?
O9 Dy3 Dy2 120.18(16) 3_755 . ?
O1 Dy3 Dy2 38.32(17) . . ?
O11 Dy3 Dy2 146.75(14) . . ?
O3 Dy3 Dy2 76.78(18) . . ?
O6 Dy3 Dy2 95.36(15) 7_576 . ?
O2 Dy3 Dy1 37.49(13) . . ?
O12 Dy3 Dy1 81.39(13) 5_776 . ?
O7 Dy3 Dy1 135.19(16) 3_655 . ?
O9 Dy3 Dy1 119.18(15) 3_755 . ?
O1 Dy3 Dy1 77.92(17) . . ?
O11 Dy3 Dy1 147.51(14) . . ?
O3 Dy3 Dy1 36.04(17) . . ?
O6 Dy3 Dy1 91.88(13) 7_576 . ?
Dy2 Dy3 Dy1 60.837(11) . . ?
O2 Dy3 Dy3 75.13(13) . 6_556 ?
O12 Dy3 Dy3 105.17(15) 5_776 6_556 ?
O7 Dy3 Dy3 110.17(15) 3_655 6_556 ?
O9 Dy3 Dy3 71.48(15) 3_755 6_556 ?
O1 Dy3 Dy3 35.13(15) . 6_556 ?
O11 Dy3 Dy3 139.51(14) . 6_556 ?
O3 Dy3 Dy3 36.64(14) . 6_556 ?
O6 Dy3 Dy3 147.65(13) 7_576 6_556 ?
Dy2 Dy3 Dy3 59.023(8) . 6_556 ?
Dy1 Dy3 Dy3 59.373(7) . 6_556 ?
O4 S1 O6 110.1(4) . . ?
O4 S1 O5 108.4(4) . . ?
O6 S1 O5 109.3(3) . . ?
O4 S1 O7 109.7(4) . . ?
O6 S1 O7 110.3(4) . . ?
O5 S1 O7 109.1(4) . . ?
O10 S2 O9 111.0(3) . . ?
O10 S2 O9 111.0(3) . 6_556 ?
O9 S2 O9 109.1(5) . 6_556 ?
O10 S2 O8 105.5(6) . . ?
O9 S2 O8 110.0(4) . . ?
O9 S2 O8 110.0(4) 6_556 . ?
Dy3 O1 Dy3 109.7(3) . 6_556 ?
Dy3 O1 Dy2 104.1(2) . . ?
Dy3 O1 Dy2 104.1(2) 6_556 . ?
Dy2 O2 Dy3 108.1(2) . . ?
Dy2 O2 Dy1 108.0(2) . . ?
Dy3 O2 Dy1 106.5(2) . . ?
Dy1 O3 Dy3 106.4(2) . 6_556 ?
Dy1 O3 Dy3 106.4(2) . . ?
Dy3 O3 Dy3 106.7(3) 6_556 . ?
S1 O4 Dy2 139.8(4) . 3_645 ?
S1 O5 Dy1 149.2(4) . . ?
S1 O6 Dy3 136.9(3) . 7_575 ?
S1 O7 Dy3 131.4(4) . 3_645 ?
S2 O8 Dy1 114.1(5) . . ?
S2 O9 Dy3 143.1(4) . 3_745 ?
C1 O11 Dy3 116.8(5) . . ?
C1 O12 Dy3 119.7(5) . 5_776 ?
O12 C1 O11 125.3(7) . . ?
O12 C1 C1 119.0(10) . 5_776 ?
O11 C1 C1 115.7(9) . 5_776 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         4.449
_refine_diff_density_min         -2.057
_refine_diff_density_rms         0.443


#======================================

_database_code_depnum_ccdc_archive 'CCDC 919805'
