# 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_1
_audit_block_doi                 10.5517/cc1k2kgn
_database_code_depnum_ccdc_archive 'CCDC 1432431'
_audit_update_record             
;
2016-12-18 deposited with the CCDC.
2016-12-26 downloaded from the CCDC.
;
_audit_creation_date             2016-12-18
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.12.12 svn.r3370 for OlexSys, GUI svn.r5273)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C50 H68 Dy4 N6 O17 S2, 2(C H4 O), 2(C O), 2(O)'
_chemical_formula_sum            'C54 H88 Dy4 N6 O23 S2'
_chemical_formula_weight         1903.42
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Dy Dy -0.1892 4.4098 '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'

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

_cell_length_a                   10.465(6)
_cell_length_b                   13.832(7)
_cell_length_c                   14.762(8)
_cell_angle_alpha                68.793(9)
_cell_angle_beta                 88.158(11)
_cell_angle_gamma                68.409(9)
_cell_volume                     1839.8(17)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    .
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      .
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.142
_exptl_absorpt_correction_T_max  0.419
_exptl_absorpt_correction_T_min  0.401
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             934
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11398
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.49
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  .
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5719
_reflns_number_total             7024
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'Bruker APEX2'
_computing_data_collection       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.203
_refine_diff_density_min         -1.680
_refine_diff_density_rms         0.170
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         7024
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0393
_refine_ls_restrained_S_all      1.082
_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)+(0.0657P)²+2.5392P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1214
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H4a of O4, H9 of O9, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H10 of O10
2. Restrained distances
 O2-C1
 1.45 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C27) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C1) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.2
4.a Ternary CH refined with riding coordinates:
 N1(H1), N2(H2)
4.b Secondary CH2 refined with riding coordinates:
 C8(H8a,H8b), C11(H11a,H11b), C12(H12a,H12b), C20(H20a,H20b), C23(H23a,H23b),
 C24(H24a,H24b)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C15(H15), C16(H16), C17(H17), O4(H4a), O9(H9)
4.d Idealised Me refined as rotating group:
 C1(H1a,H1b,H1c), C10(H10a,H10b,H10c), C13(H13a,H13b,H13c), C22(H22a,H22b,
 H22c), C26(H26a,H26b,H26c)
4.e Idealised tetrahedral OH refined as rotating group:
 O10(H10)
;
_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
C1 C 0.5875(17) 0.7374(13) 0.7366(11) 0.146(7) Uani 1 1 d D U . . .
H1A H 0.6258 0.6932 0.8036 0.219 Uiso 1 1 calc GR . . . .
H1B H 0.4884 0.7679 0.7324 0.219 Uiso 1 1 calc GR . . . .
H1C H 0.6200 0.7975 0.7115 0.219 Uiso 1 1 calc GR . . . .
C2 C 0.7394(11) 0.6716(7) 0.6326(7) 0.071(3) Uani 1 1 d . . . . .
C3 C 0.8435(14) 0.7053(9) 0.6528(9) 0.097(4) Uani 1 1 d . . . . .
H3 H 0.8400 0.7251 0.7069 0.117 Uiso 1 1 calc R . . . .
C4 C 0.9467(12) 0.7103(8) 0.5983(11) 0.095(4) Uani 1 1 d . . . . .
H4 H 1.0121 0.7339 0.6144 0.114 Uiso 1 1 calc R . . . .
C5 C 0.9563(9) 0.6805(7) 0.5186(9) 0.079(3) Uani 1 1 d . . . . .
H5 H 1.0280 0.6844 0.4803 0.094 Uiso 1 1 calc R . . . .
C6 C 0.8564(8) 0.6434(6) 0.4942(8) 0.064(2) Uani 1 1 d . . . . .
C7 C 0.7514(8) 0.6372(6) 0.5517(6) 0.052(2) Uani 1 1 d . . . . .
C8 C 0.8645(8) 0.6101(7) 0.4084(8) 0.071(3) Uani 1 1 d . . . . .
H8A H 0.8654 0.5347 0.4295 0.085 Uiso 1 1 calc R . . . .
H8B H 0.9500 0.6094 0.3808 0.085 Uiso 1 1 calc R . . . .
C9 C 0.7496(9) 0.6652(7) 0.2430(7) 0.062(2) Uani 1 1 d . . . . .
C10 C 0.8850(12) 0.6566(10) 0.1951(10) 0.104(4) Uani 1 1 d . . . . .
H10A H 0.9075 0.7194 0.1904 0.156 Uiso 1 1 calc GR . . . .
H10B H 0.8727 0.6568 0.1309 0.156 Uiso 1 1 calc GR . . . .
H10C H 0.9587 0.5882 0.2344 0.156 Uiso 1 1 calc GR . . . .
C11 C 0.7305(10) 0.5537(7) 0.2687(6) 0.061(2) Uani 1 1 d . . . . .
H11A H 0.7067 0.5470 0.2088 0.073 Uiso 1 1 calc R . . . .
H11B H 0.8172 0.4920 0.3006 0.073 Uiso 1 1 calc R . . . .
C12 C 0.6317(10) 0.7619(7) 0.1693(6) 0.064(2) Uani 1 1 d . . . . .
H12A H 0.6529 0.8289 0.1468 0.077 Uiso 1 1 calc R . . . .
H12B H 0.6211 0.7437 0.1132 0.077 Uiso 1 1 calc R . . . .
C13 C 0.403(2) 0.5304(13) 0.0986(9) 0.156(7) Uani 1 1 d . U . . .
H13A H 0.3449 0.5903 0.0419 0.234 Uiso 1 1 calc GR . . . .
H13B H 0.3890 0.4629 0.1081 0.234 Uiso 1 1 calc GR . . . .
H13C H 0.4985 0.5186 0.0895 0.234 Uiso 1 1 calc GR . . . .
C14 C 0.2658(11) 0.6626(8) 0.1663(6) 0.069(3) Uani 1 1 d . . . . .
C15 C 0.1756(14) 0.7285(11) 0.0815(7) 0.101(4) Uani 1 1 d . . . . .
H15 H 0.1811 0.7041 0.0300 0.121 Uiso 1 1 calc R . . . .
C16 C 0.0759(13) 0.8324(11) 0.0740(9) 0.106(5) Uani 1 1 d . . . . .
H16 H 0.0135 0.8768 0.0178 0.127 Uiso 1 1 calc R . . . .
C17 C 0.0702(10) 0.8678(9) 0.1471(8) 0.087(4) Uani 1 1 d . . . . .
H17 H 0.0064 0.9386 0.1401 0.105 Uiso 1 1 calc R . . . .
C18 C 0.1588(8) 0.8002(7) 0.2347(7) 0.060(2) Uani 1 1 d . . . . .
C19 C 0.2582(8) 0.6972(7) 0.2440(5) 0.053(2) Uani 1 1 d . . . . .
C20 C 0.1518(8) 0.8379(7) 0.3171(8) 0.070(3) Uani 1 1 d . . . . .
H20A H 0.0695 0.9054 0.3044 0.084 Uiso 1 1 calc R . . . .
H20B H 0.1446 0.7804 0.3764 0.084 Uiso 1 1 calc R . . . .
C21 C 0.2719(8) 0.9043(6) 0.4098(6) 0.054(2) Uani 1 1 d . . . . .
C22 C 0.1447(10) 1.0108(8) 0.3963(8) 0.084(3) Uani 1 1 d . . . . .
H22A H 0.1314 1.0634 0.3301 0.125 Uiso 1 1 calc GR . . . .
H22B H 0.1585 1.0437 0.4404 0.125 Uiso 1 1 calc GR . . . .
H22C H 0.0646 0.9922 0.4098 0.125 Uiso 1 1 calc GR . . . .
C23 C 0.2823(9) 0.8100(6) 0.5072(6) 0.059(2) Uani 1 1 d . . . . .
H23A H 0.3066 0.8284 0.5599 0.070 Uiso 1 1 calc R . . . .
H23B H 0.1925 0.8046 0.5156 0.070 Uiso 1 1 calc R . . . .
C24 C 0.3978(9) 0.9366(6) 0.4034(7) 0.058(2) Uani 1 1 d . . . . .
H24A H 0.3816 1.0043 0.3460 0.070 Uiso 1 1 calc R . . . .
H24B H 0.4113 0.9522 0.4607 0.070 Uiso 1 1 calc R . . . .
C25 C 0.7431(11) 0.3119(8) 0.2315(6) 0.065(2) Uani 1 1 d . . . . .
C26 C 0.7586(14) 0.9782(13) 0.3417(14) 0.145(7) Uani 1 1 d . . . . .
H26A H 0.8190 1.0056 0.2987 0.217 Uiso 1 1 calc GR . . . .
H26B H 0.8128 0.9152 0.3985 0.217 Uiso 1 1 calc GR . . . .
H26C H 0.6977 1.0366 0.3613 0.217 Uiso 1 1 calc GR . . . .
Dy1 Dy 0.50632(3) 0.68247(2) 0.38746(2) 0.03104(11) Uani 1 1 d . . . . .
Dy2 Dy 0.49316(4) 0.44655(3) 0.35850(2) 0.04242(12) Uani 1 1 d . . . . .
N1 N 0.7450(6) 0.6887(5) 0.3320(5) 0.0507(16) Uani 1 1 d . . . . .
H1 H 0.7409 0.7652 0.3147 0.061 Uiso 1 1 calc R . . . .
N2 N 0.2749(6) 0.8609(5) 0.3317(5) 0.0473(15) Uani 1 1 d . . . . .
H2 H 0.2844 0.9156 0.2702 0.057 Uiso 1 1 calc R . . . .
N3 N 0.6533(10) 0.3536(7) 0.2674(6) 0.079(2) Uani 1 1 d . . . . .
O1 O 0.5000 0.5000 0.5000 0.0469(17) Uani 1 2 d S T P . .
O2 O 0.6303(8) 0.6674(5) 0.6795(4) 0.0751(19) Uani 1 1 d D . . . .
O3 O 0.6592(5) 0.5999(4) 0.5333(3) 0.0436(11) Uani 1 1 d . . . . .
O4 O 0.5048(6) 0.7827(4) 0.2138(3) 0.0531(13) Uani 1 1 d . . . . .
H4A H 0.4219 0.8347 0.1759 0.064 Uiso 1 1 calc R . . . .
O5 O 0.6268(5) 0.5453(4) 0.3304(4) 0.0464(12) Uani 1 1 d . . . . .
O6 O 0.3709(8) 0.5591(5) 0.1822(4) 0.077(2) Uani 1 1 d . . . . .
O7 O 0.3445(5) 0.6314(4) 0.3262(3) 0.0429(11) Uani 1 1 d . . . . .
O8 O 0.3794(5) 0.7068(4) 0.5136(4) 0.0460(12) Uani 1 1 d . . . . .
O9 O 0.5185(5) 0.8488(4) 0.3979(4) 0.0508(13) Uani 1 1 d . . . . .
H9 H 0.6037 0.8555 0.3982 0.061 Uiso 1 1 calc R . . . .
O10 O 0.6832(10) 0.9459(8) 0.2945(7) 0.112(3) Uani 1 1 d . . . . .
H10 H 0.6546 0.9932 0.2390 0.168 Uiso 1 1 calc GR . . . .
S1 S 0.8697(3) 0.2540(3) 0.1803(2) 0.1047(10) Uani 1 1 d . . . . .
O12 O 0.2339(10) 1.1508(9) 0.1140(6) 0.131(4) Uani 1 1 d . . . . .
C27 C 0.3236(17) 1.0361(13) 0.1034(13) 0.142(6) Uani 1 1 d . U . . .
O11 O 0.5802(16) 1.1012(17) 0.0978(11) 0.251(9) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O2 1.447(8) . ?
C2 C3 1.410(13) . ?
C2 C7 1.424(13) . ?
C2 O2 1.325(12) . ?
C3 C4 1.333(18) . ?
C4 C5 1.370(16) . ?
C5 C6 1.427(11) . ?
C6 C7 1.376(12) . ?
C6 C8 1.487(14) . ?
C7 O3 1.324(8) . ?
C8 N1 1.490(10) . ?
C9 C10 1.547(11) . ?
C9 C11 1.537(11) . ?
C9 C12 1.521(13) . ?
C9 N1 1.459(11) . ?
C11 O5 1.405(9) . ?
C12 O4 1.441(10) . ?
C13 O6 1.423(13) . ?
C14 C15 1.380(12) . ?
C14 C19 1.384(12) . ?
C14 O6 1.388(12) . ?
C15 C16 1.399(18) . ?
C16 C17 1.328(17) . ?
C17 C18 1.404(11) . ?
C18 C19 1.382(12) . ?
C18 C20 1.477(13) . ?
C19 O7 1.336(8) . ?
C20 N2 1.475(10) . ?
C21 C22 1.530(11) . ?
C21 C23 1.527(11) . ?
C21 C24 1.530(11) . ?
C21 N2 1.474(10) . ?
C23 O8 1.385(9) . ?
C24 O9 1.420(9) . ?
C25 N3 1.134(12) . ?
C25 S1 1.601(11) . ?
C26 O10 1.351(14) . ?
Dy1 Dy2 3.5215(17) 2_666 ?
Dy1 Dy2 3.4919(17) . ?
Dy1 N1 2.625(6) . ?
Dy1 N2 2.626(6) . ?
Dy1 O1 2.4933(11) . ?
Dy1 O3 2.365(5) . ?
Dy1 O4 2.431(5) . ?
Dy1 O5 2.286(5) . ?
Dy1 O7 2.371(4) . ?
Dy1 O8 2.304(5) . ?
Dy1 O9 2.409(5) . ?
Dy2 Dy1 3.5216(18) 2_666 ?
Dy2 N3 2.407(8) . ?
Dy2 O1 2.4659(11) . ?
Dy2 O2 2.580(5) 2_666 ?
Dy2 O3 2.314(5) 2_666 ?
Dy2 O5 2.226(5) . ?
Dy2 O6 2.579(6) . ?
Dy2 O7 2.329(5) . ?
Dy2 O8 2.242(5) 2_666 ?
O1 Dy1 2.4933(11) 2_666 ?
O1 Dy2 2.4660(11) 2_666 ?
O2 Dy2 2.580(5) 2_666 ?
O3 Dy2 2.314(5) 2_666 ?
O8 Dy2 2.242(5) 2_666 ?
O12 C27 1.581(17) . ?

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
C3 C2 C7 116.8(11) . . ?
O2 C2 C3 128.4(10) . . ?
O2 C2 C7 114.9(7) . . ?
C4 C3 C2 123.4(12) . . ?
C3 C4 C5 120.0(9) . . ?
C4 C5 C6 120.0(10) . . ?
C5 C6 C8 121.3(9) . . ?
C7 C6 C5 119.5(10) . . ?
C7 C6 C8 119.2(7) . . ?
C6 C7 C2 120.2(8) . . ?
O3 C7 C2 118.5(8) . . ?
O3 C7 C6 121.4(8) . . ?
C6 C8 N1 111.3(7) . . ?
C11 C9 C10 108.7(7) . . ?
C12 C9 C10 107.4(8) . . ?
C12 C9 C11 111.2(8) . . ?
N1 C9 C10 114.7(8) . . ?
N1 C9 C11 107.9(7) . . ?
N1 C9 C12 107.0(7) . . ?
O5 C11 C9 112.4(6) . . ?
O4 C12 C9 110.0(6) . . ?
C15 C14 C19 121.1(11) . . ?
C15 C14 O6 124.9(10) . . ?
C19 C14 O6 113.9(7) . . ?
C14 C15 C16 119.2(12) . . ?
C17 C16 C15 120.2(9) . . ?
C16 C17 C18 121.1(11) . . ?
C17 C18 C20 121.6(9) . . ?
C19 C18 C17 119.8(10) . . ?
C19 C18 C20 118.5(7) . . ?
C14 C19 C18 118.5(7) . . ?
O7 C19 C14 120.4(8) . . ?
O7 C19 C18 121.1(8) . . ?
N2 C20 C18 111.6(7) . . ?
C23 C21 C22 111.5(7) . . ?
C24 C21 C22 106.6(7) . . ?
C24 C21 C23 111.4(7) . . ?
N2 C21 C22 113.7(7) . . ?
N2 C21 C23 107.6(6) . . ?
N2 C21 C24 106.0(6) . . ?
O8 C23 C21 113.0(6) . . ?
O9 C24 C21 110.7(6) . . ?
N3 C25 S1 179.5(11) . . ?
Dy2 Dy1 Dy2 89.37(3) . 2_666 ?
N1 Dy1 Dy2 104.89(14) . . ?
N1 Dy1 Dy2 114.97(15) . 2_666 ?
N1 Dy1 N2 122.77(18) . . ?
N2 Dy1 Dy2 115.58(14) . . ?
N2 Dy1 Dy2 104.54(14) . 2_666 ?
O1 Dy1 Dy2 44.92(3) . . ?
O1 Dy1 Dy2 44.446(11) . 2_666 ?
O1 Dy1 N1 118.56(13) . . ?
O1 Dy1 N2 118.66(13) . . ?
O3 Dy1 Dy2 40.64(12) . 2_666 ?
O3 Dy1 Dy2 101.70(11) . . ?
O3 Dy1 N1 74.37(19) . . ?
O3 Dy1 N2 129.38(19) . . ?
O3 Dy1 O1 66.80(10) . . ?
O3 Dy1 O4 138.38(17) . . ?
O3 Dy1 O7 133.95(15) . . ?
O3 Dy1 O9 80.37(16) . . ?
O4 Dy1 Dy2 176.20(13) . 2_666 ?
O4 Dy1 Dy2 94.41(13) . . ?
O4 Dy1 N1 64.4(2) . . ?
O4 Dy1 N2 73.45(19) . . ?
O4 Dy1 O1 139.34(13) . . ?
O5 Dy1 Dy2 38.66(12) . . ?
O5 Dy1 Dy2 107.92(12) . 2_666 ?
O5 Dy1 N1 66.35(18) . . ?
O5 Dy1 N2 136.6(2) . . ?
O5 Dy1 O1 70.76(12) . . ?
O5 Dy1 O3 93.85(18) . . ?
O5 Dy1 O4 75.43(18) . . ?
O5 Dy1 O7 72.11(18) . . ?
O5 Dy1 O8 140.54(16) . . ?
O5 Dy1 O9 139.01(17) . . ?
O7 Dy1 Dy2 101.10(11) . 2_666 ?
O7 Dy1 Dy2 41.56(12) . . ?
O7 Dy1 N1 131.2(2) . . ?
O7 Dy1 N2 74.04(18) . . ?
O7 Dy1 O1 67.17(11) . . ?
O7 Dy1 O4 81.55(17) . . ?
O7 Dy1 O9 138.05(17) . . ?
O8 Dy1 Dy2 107.15(12) . . ?
O8 Dy1 Dy2 38.59(12) . 2_666 ?
O8 Dy1 N1 136.7(2) . . ?
O8 Dy1 N2 65.99(18) . . ?
O8 Dy1 O1 69.79(11) . . ?
O8 Dy1 O3 71.25(18) . . ?
O8 Dy1 O4 139.12(17) . . ?
O8 Dy1 O7 91.93(18) . . ?
O8 Dy1 O9 75.93(17) . . ?
O9 Dy1 Dy2 93.86(13) . 2_666 ?
O9 Dy1 Dy2 176.69(13) . . ?
O9 Dy1 N1 73.06(18) . . ?
O9 Dy1 N2 64.28(18) . . ?
O9 Dy1 O1 138.30(13) . . ?
O9 Dy1 O4 82.36(19) . . ?
Dy1 Dy2 Dy1 90.63(3) . 2_666 ?
N3 Dy2 Dy1 122.2(2) . 2_666 ?
N3 Dy2 Dy1 121.3(2) . . ?
N3 Dy2 O1 138.4(2) . . ?
N3 Dy2 O2 77.8(3) . 2_666 ?
N3 Dy2 O6 78.0(3) . . ?
O1 Dy2 Dy1 45.560(11) . . ?
O1 Dy2 Dy1 45.07(3) . 2_666 ?
O1 Dy2 O2 131.95(15) . 2_666 ?
O1 Dy2 O6 132.49(15) . . ?
O2 Dy2 Dy1 154.34(17) 2_666 . ?
O2 Dy2 Dy1 92.43(14) 2_666 2_666 ?
O3 Dy2 Dy1 41.74(11) 2_666 2_666 ?
O3 Dy2 Dy1 102.95(12) 2_666 . ?
O3 Dy2 N3 134.6(2) 2_666 . ?
O3 Dy2 O1 68.03(11) 2_666 . ?
O3 Dy2 O2 64.30(19) 2_666 2_666 ?
O3 Dy2 O6 111.2(2) 2_666 . ?
O3 Dy2 O7 84.94(17) 2_666 . ?
O5 Dy2 Dy1 109.47(13) . 2_666 ?
O5 Dy2 Dy1 39.91(12) . . ?
O5 Dy2 N3 81.7(2) . . ?
O5 Dy2 O1 72.23(13) . . ?
O5 Dy2 O2 155.8(2) . 2_666 ?
O5 Dy2 O3 139.63(17) . 2_666 ?
O5 Dy2 O6 90.5(2) . . ?
O5 Dy2 O7 73.98(17) . . ?
O5 Dy2 O8 100.60(19) . 2_666 ?
O6 Dy2 Dy1 152.62(18) . 2_666 ?
O6 Dy2 Dy1 93.35(13) . . ?
O6 Dy2 O2 72.9(2) . 2_666 ?
O7 Dy2 Dy1 102.27(12) . 2_666 ?
O7 Dy2 Dy1 42.49(11) . . ?
O7 Dy2 N3 134.4(2) . . ?
O7 Dy2 O1 68.26(11) . . ?
O7 Dy2 O2 112.2(2) . 2_666 ?
O7 Dy2 O6 64.45(19) . . ?
O8 Dy2 Dy1 108.68(13) 2_666 . ?
O8 Dy2 Dy1 39.88(12) 2_666 2_666 ?
O8 Dy2 N3 82.7(2) 2_666 . ?
O8 Dy2 O1 71.27(13) 2_666 . ?
O8 Dy2 O2 89.5(2) 2_666 2_666 ?
O8 Dy2 O3 73.31(17) 2_666 2_666 ?
O8 Dy2 O6 156.19(19) 2_666 . ?
O8 Dy2 O7 138.85(16) 2_666 . ?
C8 N1 Dy1 113.5(5) . . ?
C9 N1 C8 114.6(7) . . ?
C9 N1 Dy1 102.3(4) . . ?
C20 N2 Dy1 114.0(5) . . ?
C21 N2 C20 114.6(7) . . ?
C21 N2 Dy1 102.1(4) . . ?
C25 N3 Dy2 169.8(8) . . ?
Dy1 O1 Dy1 180.0 . 2_666 ?
Dy2 O1 Dy1 90.48(4) . 2_666 ?
Dy2 O1 Dy1 89.52(4) 2_666 2_666 ?
Dy2 O1 Dy1 89.52(4) . . ?
Dy2 O1 Dy1 90.48(4) 2_666 . ?
Dy2 O1 Dy2 180.000(18) . 2_666 ?
C1 O2 Dy2 128.5(7) . 2_666 ?
C2 O2 C1 115.5(8) . . ?
C2 O2 Dy2 115.6(5) . 2_666 ?
C7 O3 Dy1 125.2(4) . . ?
C7 O3 Dy2 123.6(5) . 2_666 ?
Dy2 O3 Dy1 97.62(17) 2_666 . ?
C12 O4 Dy1 120.4(4) . . ?
C11 O5 Dy1 122.7(4) . . ?
C11 O5 Dy2 133.1(5) . . ?
Dy2 O5 Dy1 101.43(19) . . ?
C13 O6 Dy2 127.6(8) . . ?
C14 O6 C13 116.3(8) . . ?
C14 O6 Dy2 116.0(5) . . ?
C19 O7 Dy1 123.7(4) . . ?
C19 O7 Dy2 123.9(5) . . ?
Dy2 O7 Dy1 95.95(17) . . ?
C23 O8 Dy1 122.7(4) . . ?
C23 O8 Dy2 132.2(5) . 2_666 ?
Dy2 O8 Dy1 101.53(18) 2_666 . ?
C24 O9 Dy1 121.1(4) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.000 161.4 30.3 ?


_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_1
_audit_block_doi                 10.5517/cc1k2kfm
_database_code_depnum_ccdc_archive 'CCDC 1432430'
_audit_update_record             
;
2016-12-18 deposited with the CCDC.
2016-12-26 downloaded from the CCDC.
;
_audit_creation_date             2016-12-18
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.12.12 svn.r3370 for OlexSys, GUI svn.r5273)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H60 Dy4 N6 O17 S2, 2(O), 4(H2 O)'
_chemical_formula_sum            'C52 H68 Dy4 N6 O23 S2'
_chemical_formula_weight         1859.24
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

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

_cell_length_a                   10.1501(6)
_cell_length_b                   12.5967(8)
_cell_length_c                   13.2679(8)
_cell_angle_alpha                87.2500(10)
_cell_angle_beta                 82.0570(10)
_cell_angle_gamma                68.6090(10)
_cell_volume                     1564.39(17)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    5082
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.09
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.869
_exptl_absorpt_correction_T_max  0.360
_exptl_absorpt_correction_T_min  0.339
_exptl_absorpt_correction_type   multi_scan
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.974
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             902
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_unetI/netI     0.0551
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9792
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         1.55
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5005
_reflns_number_total             6146
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.420
_refine_diff_density_min         -1.078
_refine_diff_density_rms         0.235
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         6146
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0445
_refine_ls_restrained_S_all      1.125
_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)+(0.0795P)²+0.1307P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1375
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 H12c-H12d = H11a-H11b
 1.35 with sigma of 0.02
 H12c-O12 = H12d-O12 = H11a-O11 = H11b-O11 = H3-O3 = H8a-O8
 0.82 with sigma of 0.02
 H8a-H24a = H8a-H24b = H3-H3a = H3-H3b
 2.3 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O10) \\sim Ueq, Uanis(O11) \\sim Ueq, Uanis(O12) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.02
4.a Riding coordinates:
 O11(H11a,H11b), O12(H12c,H12d)
4.b Secondary CH2 refined with riding coordinates:
 C1(H1a,H1b), C3(H3a,H3b), C12(H12a,H12b), C13(H13a,H13b), C14(H14a,H14b),
 C24(H24a,H24b), C25(H25a,H25b)
4.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C7(H7), C8(H8), C9(H9), C16(H16), C17(H17), C18(H18), C21(H21)
4.d Idealised Me refined as rotating group:
 C4(H4a,H4b,H4c), C23(H23a,H23b,H23c)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
C1 C 0.2189(9) 0.6549(7) 0.4782(6) 0.028(2) Uani 1 1 d . . . . .
H1A H 0.3144 0.6559 0.4598 0.033 Uiso 1 1 calc R . . . .
H1B H 0.2034 0.6075 0.4291 0.033 Uiso 1 1 calc R . . . .
C2 C 0.2088(9) 0.6022(7) 0.5842(6) 0.029(2) Uani 1 1 d . . . . .
C3 C 0.0783(10) 0.5675(7) 0.6041(8) 0.037(2) Uani 1 1 d . . . . .
H3A H 0.0819 0.5159 0.5510 0.045 Uiso 1 1 calc DR . . . .
H3B H 0.0790 0.5278 0.6686 0.045 Uiso 1 1 calc DR . . . .
C4 C 0.3410(10) 0.4974(8) 0.5920(7) 0.036(2) Uani 1 1 d . . . . .
H4A H 0.4230 0.5193 0.5864 0.054 Uiso 1 1 calc GR . . . .
H4B H 0.3527 0.4453 0.5381 0.054 Uiso 1 1 calc GR . . . .
H4C H 0.3314 0.4611 0.6564 0.054 Uiso 1 1 calc GR . . . .
C5 C 0.2713(8) 0.6902(7) 0.7175(6) 0.030(2) Uani 1 1 d . . . . .
H5 H 0.3515 0.6239 0.7175 0.036 Uiso 1 1 calc R . . . .
C6 C 0.2533(8) 0.7798(7) 0.7872(6) 0.0241(18) Uani 1 1 d . . . . .
C7 C 0.3178(8) 0.7478(7) 0.8762(6) 0.028(2) Uani 1 1 d . . . . .
H7 H 0.3772 0.6727 0.8850 0.034 Uiso 1 1 calc R . . . .
C8 C 0.2923(9) 0.8301(7) 0.9529(6) 0.0275(19) Uani 1 1 d . . . . .
H8 H 0.3341 0.8090 1.0124 0.033 Uiso 1 1 calc R . . . .
C9 C 0.2070(8) 0.9395(7) 0.9392(6) 0.0254(18) Uani 1 1 d . . . . .
H9 H 0.1896 0.9928 0.9903 0.030 Uiso 1 1 calc R . . . .
C10 C 0.1445(8) 0.9741(7) 0.8501(6) 0.0220(17) Uani 1 1 d . . . . .
C11 C 0.1717(7) 0.8957(7) 0.7693(5) 0.0190(16) Uani 1 1 d . . . . .
C12 C 0.0257(8) 1.1703(7) 0.9045(6) 0.0213(17) Uani 1 1 d . . . . .
H12A H 0.0334 1.1375 0.9720 0.026 Uiso 1 1 calc R . . . .
H12B H -0.0702 1.2259 0.9045 0.026 Uiso 1 1 calc R . . . .
C13 C 0.1307(9) 1.2293(7) 0.8809(6) 0.0235(18) Uani 1 1 d . . . . .
H13A H 0.2269 1.1732 0.8757 0.028 Uiso 1 1 calc R . . . .
H13B H 0.1191 1.2811 0.9361 0.028 Uiso 1 1 calc R . . . .
C14 C 0.1101(9) 1.2963(7) 0.7813(6) 0.0236(18) Uani 1 1 d . . . . .
H14A H 0.0121 1.3492 0.7849 0.028 Uiso 1 1 calc R . . . .
H14B H 0.1717 1.3405 0.7727 0.028 Uiso 1 1 calc R . . . .
C15 C 0.2735(8) 1.1978(7) 0.6336(6) 0.0238(17) Uani 1 1 d . . . . .
C16 C 0.3902(9) 1.2180(7) 0.6586(7) 0.0286(19) Uani 1 1 d . . . . .
H16 H 0.3863 1.2478 0.7222 0.034 Uiso 1 1 calc R . . . .
C17 C 0.5115(9) 1.1942(8) 0.5901(7) 0.032(2) Uani 1 1 d . . . . .
H17 H 0.5914 1.2033 0.6093 0.038 Uiso 1 1 calc R . . . .
C18 C 0.5164(8) 1.1572(7) 0.4939(6) 0.0259(18) Uani 1 1 d . . . . .
H18 H 0.5976 1.1453 0.4472 0.031 Uiso 1 1 calc R . . . .
C19 C 0.3976(8) 1.1371(7) 0.4652(6) 0.0245(18) Uani 1 1 d . . . . .
C20 C 0.2766(8) 1.1515(7) 0.5392(6) 0.0226(17) Uani 1 1 d . . . . .
C21 C 0.4071(8) 1.1012(7) 0.3629(6) 0.0227(17) Uani 1 1 d . . . . .
H21 H 0.4973 1.0710 0.3258 0.027 Uiso 1 1 calc R . . . .
C22 C 0.3202(8) 1.0611(8) 0.2138(6) 0.0264(19) Uani 1 1 d . . . . .
C23 C 0.4705(8) 1.0251(9) 0.1586(7) 0.034(2) Uani 1 1 d . . . . .
H23A H 0.5021 1.0885 0.1550 0.051 Uiso 1 1 calc GR . . . .
H23B H 0.4718 1.0003 0.0910 0.051 Uiso 1 1 calc GR . . . .
H23C H 0.5328 0.9636 0.1947 0.051 Uiso 1 1 calc GR . . . .
C24 C 0.2224(8) 1.1569(8) 0.1538(6) 0.030(2) Uani 1 1 d . . . . .
H24A H 0.2540 1.2211 0.1486 0.036 Uiso 1 1 calc DR . . . .
H24B H 0.2263 1.1306 0.0855 0.036 Uiso 1 1 calc DR . . . .
C25 C 0.2728(8) 0.9589(7) 0.2254(6) 0.0256(18) Uani 1 1 d . . . . .
H25A H 0.2370 0.9499 0.1635 0.031 Uiso 1 1 calc R . . . .
H25B H 0.3548 0.8906 0.2341 0.031 Uiso 1 1 calc R . . . .
C26 C -0.3171(10) 1.3154(8) 0.7882(6) 0.031(2) Uani 1 1 d . . . . .
Dy1 Dy -0.01636(3) 1.12223(3) 0.65063(3) 0.01750(13) Uani 1 1 d . . . . .
Dy2 Dy -0.03885(4) 0.85371(3) 0.61625(3) 0.01817(13) Uani 1 1 d . . . . .
N1 N 0.1834(7) 0.6969(6) 0.6559(5) 0.0246(15) Uani 1 1 d . . . . .
N2 N 0.2992(7) 1.1079(6) 0.3188(5) 0.0217(14) Uani 1 1 d . . . . .
N3 N -0.2010(8) 1.2717(6) 0.7510(5) 0.0298(17) Uani 1 1 d . . . . .
O1 O 0.0000 1.0000 0.5000 0.033(2) Uani 1 2 d S T P . .
O2 O 0.1181(5) 0.7680(4) 0.4728(4) 0.0216(12) Uani 1 1 d . . . . .
O3 O -0.0504(6) 0.6661(5) 0.6065(5) 0.0314(14) Uani 1 1 d D . . . .
O4 O 0.1206(5) 0.9307(5) 0.6839(4) 0.0218(12) Uani 1 1 d . . . . .
O5 O 0.0490(5) 1.0813(5) 0.8319(4) 0.0213(12) Uani 1 1 d . . . . .
O6 O 0.1421(6) 1.2222(5) 0.6940(4) 0.0254(13) Uani 1 1 d . . . . .
O7 O 0.1683(5) 1.1232(4) 0.5231(4) 0.0192(11) Uani 1 1 d . . . . .
O8 O 0.0788(6) 1.1916(5) 0.2042(4) 0.0278(13) Uani 1 1 d D . . . .
O9 O 0.1666(5) 0.9698(4) 0.3082(4) 0.0207(12) Uani 1 1 d . . . . .
O10 O 0.7957(13) 0.5063(10) 0.9794(10) 0.119(4) Uani 1 1 d . U . . .
O11 O 0.9454(14) 0.4179(9) 0.1093(9) 0.121(5) Uani 1 1 d D U . . .
H11A H 0.8601 0.4355 0.0745 0.182 Uiso 1 1 d DR . . . .
H11B H 0.9831 0.4609 0.0745 0.182 Uiso 1 1 d DR . . . .
O12 O 0.7597(18) 0.5810(9) 0.7298(10) 0.150(6) Uani 1 1 d D U . . .
H12C H 0.7227 0.5680 0.7926 0.225 Uiso 1 1 d DR . . . .
H12D H 0.6684 0.6011 0.7047 0.225 Uiso 1 1 d DR . . . .
S1 S -0.4819(2) 1.3776(2) 0.84110(19) 0.0410(6) Uani 1 1 d . . . . .
H8A H 0.0168(18) 1.242(3) 0.178(3) 0.14(7) Uiso 1 1 d D . . . .
H3 H -0.1261(17) 0.657(2) 0.619(3) 0.08(5) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.533(12) . ?
C1 O2 1.424(9) . ?
C2 C3 1.526(12) . ?
C2 C4 1.512(11) . ?
C2 N1 1.488(10) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 O3 1.435(10) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5 0.9300 . ?
C5 C6 1.437(12) . ?
C5 N1 1.269(10) . ?
C6 C7 1.401(11) . ?
C6 C11 1.419(11) . ?
C7 H7 0.9300 . ?
C7 C8 1.418(12) . ?
C8 H8 0.9300 . ?
C8 C9 1.353(12) . ?
C9 H9 0.9300 . ?
C9 C10 1.395(11) . ?
C10 C11 1.422(11) . ?
C10 O5 1.379(9) . ?
C11 O4 1.301(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.500(11) . ?
C12 O5 1.444(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.531(11) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 O6 1.448(9) . ?
C15 C16 1.384(11) . ?
C15 C20 1.398(11) . ?
C15 O6 1.394(9) . ?
C16 H16 0.9300 . ?
C16 C17 1.370(12) . ?
C17 H17 0.9300 . ?
C17 C18 1.368(12) . ?
C18 H18 0.9300 . ?
C18 C19 1.423(11) . ?
C19 C20 1.423(11) . ?
C19 C21 1.430(11) . ?
C20 O7 1.319(9) . ?
C21 H21 0.9300 . ?
C21 N2 1.286(10) . ?
C22 C23 1.512(11) . ?
C22 C24 1.526(12) . ?
C22 C25 1.524(12) . ?
C22 N2 1.496(10) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 O8 1.434(9) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 O9 1.403(9) . ?
C26 N3 1.152(11) . ?
C26 S1 1.636(9) . ?
Dy1 Dy2 3.5237(5) 2_576 ?
Dy1 Dy2 3.5272(6) . ?
Dy1 N3 2.410(7) . ?
Dy1 O1 2.5316(4) . ?
Dy1 O2 2.206(5) 2_576 ?
Dy1 O4 2.360(5) . ?
Dy1 O5 2.562(5) . ?
Dy1 O6 2.512(6) . ?
Dy1 O7 2.349(5) . ?
Dy1 O9 2.228(5) 2_576 ?
Dy2 Dy1 3.5237(5) 2_576 ?
Dy2 N1 2.499(6) . ?
Dy2 N2 2.537(6) 2_576 ?
Dy2 O1 2.4535(4) . ?
Dy2 O2 2.331(5) . ?
Dy2 O3 2.418(6) . ?
Dy2 O4 2.448(5) . ?
Dy2 O7 2.360(5) 2_576 ?
Dy2 O8 2.436(6) 2_576 ?
Dy2 O9 2.320(5) 2_576 ?
N2 Dy2 2.537(6) 2_576 ?
O1 Dy1 2.5316(4) 2_576 ?
O1 Dy2 2.4534(4) 2_576 ?
O2 Dy1 2.206(5) 2_576 ?
O3 H3 0.81(2) . ?
O7 Dy2 2.360(5) 2_576 ?
O8 Dy2 2.436(6) 2_576 ?
O8 H8A 0.82(2) . ?
O9 Dy1 2.228(5) 2_576 ?
O9 Dy2 2.320(5) 2_576 ?
O11 H11A 0.9863 . ?
O11 H11B 0.8554 . ?
O12 H12C 0.8988 . ?
O12 H12D 0.9700 . ?

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
H1A C1 H1B 107.8 . . ?
C2 C1 H1A 109.0 . . ?
C2 C1 H1B 109.0 . . ?
O2 C1 H1A 109.0 . . ?
O2 C1 H1B 109.0 . . ?
O2 C1 C2 112.8(6) . . ?
C3 C2 C1 110.9(7) . . ?
C4 C2 C1 109.6(7) . . ?
C4 C2 C3 108.7(8) . . ?
N1 C2 C1 104.6(7) . . ?
N1 C2 C3 106.7(7) . . ?
N1 C2 C4 116.3(7) . . ?
C2 C3 H3A 109.6 . . ?
C2 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
O3 C3 C2 110.5(7) . . ?
O3 C3 H3A 109.6 . . ?
O3 C3 H3B 109.6 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 H5 118.3 . . ?
N1 C5 H5 118.3 . . ?
N1 C5 C6 123.4(7) . . ?
C7 C6 C5 117.0(8) . . ?
C7 C6 C11 120.6(7) . . ?
C11 C6 C5 122.4(7) . . ?
C6 C7 H7 120.1 . . ?
C6 C7 C8 119.9(7) . . ?
C8 C7 H7 120.1 . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.8(7) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 119.3 . . ?
C8 C9 C10 121.4(8) . . ?
C10 C9 H9 119.3 . . ?
C9 C10 C11 120.9(7) . . ?
O5 C10 C9 125.6(7) . . ?
O5 C10 C11 113.4(7) . . ?
C6 C11 C10 117.1(7) . . ?
O4 C11 C6 122.6(7) . . ?
O4 C11 C10 120.3(7) . . ?
H12A C12 H12B 107.9 . . ?
C13 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
O5 C12 H12A 109.1 . . ?
O5 C12 H12B 109.1 . . ?
O5 C12 C13 112.3(6) . . ?
C12 C13 H13A 109.3 . . ?
C12 C13 H13B 109.3 . . ?
C12 C13 C14 111.6(7) . . ?
H13A C13 H13B 108.0 . . ?
C14 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
C13 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
O6 C14 C13 112.1(6) . . ?
O6 C14 H14A 109.2 . . ?
O6 C14 H14B 109.2 . . ?
C16 C15 C20 121.2(8) . . ?
C16 C15 O6 126.3(7) . . ?
O6 C15 C20 112.5(7) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.3(8) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.9(8) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.2(8) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 C20 118.9(7) . . ?
C18 C19 C21 117.9(7) . . ?
C20 C19 C21 123.2(7) . . ?
C15 C20 C19 118.0(7) . . ?
O7 C20 C15 118.8(7) . . ?
O7 C20 C19 123.2(7) . . ?
C19 C21 H21 117.8 . . ?
N2 C21 C19 124.4(7) . . ?
N2 C21 H21 117.8 . . ?
C23 C22 C24 108.6(7) . . ?
C23 C22 C25 109.7(7) . . ?
C25 C22 C24 111.5(7) . . ?
N2 C22 C23 115.8(7) . . ?
N2 C22 C24 105.3(7) . . ?
N2 C22 C25 105.9(6) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.8 . . ?
C22 C24 H24B 109.8 . . ?
H24A C24 H24B 108.2 . . ?
O8 C24 C22 109.6(7) . . ?
O8 C24 H24A 109.8 . . ?
O8 C24 H24B 109.8 . . ?
C22 C25 H25A 109.0 . . ?
C22 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
O9 C25 C22 112.9(7) . . ?
O9 C25 H25A 109.0 . . ?
O9 C25 H25B 109.0 . . ?
N3 C26 S1 179.8(10) . . ?
Dy2 Dy1 Dy2 88.203(12) 2_576 . ?
N3 Dy1 Dy2 120.42(17) . 2_576 ?
N3 Dy1 Dy2 122.56(19) . . ?
N3 Dy1 O1 136.65(17) . . ?
N3 Dy1 O5 76.1(2) . . ?
N3 Dy1 O6 83.9(2) . . ?
O1 Dy1 Dy2 44.075(8) . . ?
O1 Dy1 Dy2 44.128(8) . 2_576 ?
O1 Dy1 O5 134.71(12) . . ?
O2 Dy1 Dy2 106.30(14) 2_576 . ?
O2 Dy1 Dy2 40.34(13) 2_576 2_576 ?
O2 Dy1 N3 80.5(2) 2_576 . ?
O2 Dy1 O1 70.43(14) 2_576 . ?
O2 Dy1 O4 140.96(19) 2_576 . ?
O2 Dy1 O5 154.47(18) 2_576 . ?
O2 Dy1 O6 100.7(2) 2_576 . ?
O2 Dy1 O7 73.20(18) 2_576 . ?
O2 Dy1 O9 100.1(2) 2_576 2_576 ?
O4 Dy1 Dy2 43.80(13) . . ?
O4 Dy1 Dy2 104.53(13) . 2_576 ?
O4 Dy1 N3 133.7(2) . . ?
O4 Dy1 O1 70.84(13) . . ?
O4 Dy1 O5 64.57(17) . . ?
O4 Dy1 O6 101.26(19) . . ?
O5 Dy1 Dy2 157.65(12) . 2_576 ?
O5 Dy1 Dy2 94.93(12) . . ?
O6 Dy1 Dy2 144.59(13) . . ?
O6 Dy1 Dy2 98.23(13) . 2_576 ?
O6 Dy1 O1 131.86(12) . . ?
O6 Dy1 O5 66.92(18) . . ?
O7 Dy1 Dy2 102.56(13) . . ?
O7 Dy1 Dy2 41.67(11) . 2_576 ?
O7 Dy1 N3 132.6(2) . . ?
O7 Dy1 O1 68.39(13) . . ?
O7 Dy1 O4 88.24(18) . . ?
O7 Dy1 O5 116.36(17) . . ?
O7 Dy1 O6 63.89(18) . . ?
O9 Dy1 Dy2 108.97(14) 2_576 2_576 ?
O9 Dy1 Dy2 40.11(13) 2_576 . ?
O9 Dy1 N3 82.5(2) 2_576 . ?
O9 Dy1 O1 72.15(13) 2_576 . ?
O9 Dy1 O4 72.34(18) 2_576 . ?
O9 Dy1 O5 86.97(18) 2_576 . ?
O9 Dy1 O6 152.80(19) 2_576 . ?
O9 Dy1 O7 139.92(19) 2_576 . ?
Dy1 Dy2 Dy1 91.797(12) 2_576 . ?
N1 Dy2 Dy1 103.62(15) . 2_576 ?
N1 Dy2 Dy1 110.63(16) . . ?
N1 Dy2 N2 130.9(2) . 2_576 ?
N2 Dy2 Dy1 111.58(15) 2_576 2_576 ?
N2 Dy2 Dy1 101.49(15) 2_576 . ?
O1 Dy2 Dy1 45.869(9) . . ?
O1 Dy2 Dy1 45.927(9) . 2_576 ?
O1 Dy2 N1 114.98(16) . . ?
O1 Dy2 N2 114.04(15) . 2_576 ?
O2 Dy2 Dy1 37.79(12) . 2_576 ?
O2 Dy2 Dy1 108.25(14) . . ?
O2 Dy2 N1 66.06(19) . . ?
O2 Dy2 N2 136.01(19) . 2_576 ?
O2 Dy2 O1 69.97(13) . . ?
O2 Dy2 O3 74.5(2) . . ?
O2 Dy2 O4 96.19(18) . . ?
O2 Dy2 O7 70.84(17) . 2_576 ?
O2 Dy2 O8 137.34(19) . 2_576 ?
O3 Dy2 Dy1 175.45(15) . . ?
O3 Dy2 Dy1 92.50(15) . 2_576 ?
O3 Dy2 N1 66.8(2) . . ?
O3 Dy2 N2 78.3(2) . 2_576 ?
O3 Dy2 O1 138.40(15) . . ?
O3 Dy2 O4 134.97(19) . . ?
O3 Dy2 O8 78.6(2) . 2_576 ?
O4 Dy2 Dy1 41.84(13) . . ?
O4 Dy2 Dy1 106.67(13) . 2_576 ?
O4 Dy2 N1 69.2(2) . . ?
O4 Dy2 N2 127.21(19) . 2_576 ?
O4 Dy2 O1 70.76(13) . . ?
O7 Dy2 Dy1 105.26(13) 2_576 . ?
O7 Dy2 Dy1 41.43(13) 2_576 2_576 ?
O7 Dy2 N1 130.31(19) 2_576 . ?
O7 Dy2 N2 70.53(19) 2_576 2_576 ?
O7 Dy2 O1 69.57(13) 2_576 . ?
O7 Dy2 O3 79.0(2) 2_576 . ?
O7 Dy2 O4 140.32(19) 2_576 . ?
O7 Dy2 O8 134.78(19) 2_576 2_576 ?
O8 Dy2 Dy1 97.10(15) 2_576 . ?
O8 Dy2 Dy1 171.10(15) 2_576 2_576 ?
O8 Dy2 N1 73.2(2) 2_576 . ?
O8 Dy2 N2 66.7(2) 2_576 2_576 ?
O8 Dy2 O1 142.97(15) 2_576 . ?
O8 Dy2 O4 80.19(19) 2_576 . ?
O9 Dy2 Dy1 111.09(13) 2_576 2_576 ?
O9 Dy2 Dy1 38.22(13) 2_576 . ?
O9 Dy2 N1 131.6(2) 2_576 . ?
O9 Dy2 N2 63.90(19) 2_576 2_576 ?
O9 Dy2 O1 72.16(13) 2_576 . ?
O9 Dy2 O2 142.09(19) 2_576 . ?
O9 Dy2 O3 140.51(19) 2_576 . ?
O9 Dy2 O4 69.20(17) 2_576 . ?
O9 Dy2 O7 97.76(18) 2_576 2_576 ?
O9 Dy2 O8 76.4(2) 2_576 2_576 ?
C2 N1 Dy2 106.5(5) . . ?
C5 N1 C2 121.0(7) . . ?
C5 N1 Dy2 132.4(6) . . ?
C21 N2 C22 120.6(6) . . ?
C21 N2 Dy2 133.1(5) . 2_576 ?
C22 N2 Dy2 104.7(4) . 2_576 ?
C26 N3 Dy1 152.0(7) . . ?
Dy1 O1 Dy1 180.0 2_576 . ?
Dy2 O1 Dy1 90.057(12) 2_576 2_576 ?
Dy2 O1 Dy1 89.944(12) 2_576 . ?
Dy2 O1 Dy1 89.943(13) . 2_576 ?
Dy2 O1 Dy1 90.056(13) . . ?
Dy2 O1 Dy2 180.0 2_576 . ?
C1 O2 Dy1 134.9(5) . 2_576 ?
C1 O2 Dy2 120.3(4) . . ?
Dy1 O2 Dy2 101.88(19) 2_576 . ?
C3 O3 Dy2 119.4(5) . . ?
C3 O3 H3 118.2(19) . . ?
Dy2 O3 H3 121(2) . . ?
C11 O4 Dy1 123.9(5) . . ?
C11 O4 Dy2 122.3(5) . . ?
Dy1 O4 Dy2 94.36(18) . . ?
C10 O5 C12 117.7(6) . . ?
C10 O5 Dy1 116.8(4) . . ?
C12 O5 Dy1 122.9(4) . . ?
C14 O6 Dy1 124.2(5) . . ?
C15 O6 C14 118.4(6) . . ?
C15 O6 Dy1 117.2(5) . . ?
C20 O7 Dy1 123.7(5) . . ?
C20 O7 Dy2 133.4(5) . 2_576 ?
Dy1 O7 Dy2 96.89(18) . 2_576 ?
C24 O8 Dy2 118.9(5) . 2_576 ?
C24 O8 H8A 118.1(19) . . ?
Dy2 O8 H8A 120(2) 2_576 . ?
C25 O9 Dy1 132.1(5) . 2_576 ?
C25 O9 Dy2 120.3(5) . 2_576 ?
Dy1 O9 Dy2 101.67(19) 2_576 2_576 ?
H11A O11 H11B 98.5 . . ?
H12C O12 H12D 91.7 . . ?

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
C1 C2 C3 O3 -64.7(9) . . . . ?
C1 C2 N1 C5 -118.8(9) . . . . ?
C1 C2 N1 Dy2 57.6(7) . . . . ?
C2 C1 O2 Dy1 -156.3(5) . . . 2_576 ?
C2 C1 O2 Dy2 0.3(9) . . . . ?
C2 C3 O3 Dy2 -12.9(9) . . . . ?
C3 C2 N1 C5 123.6(9) . . . . ?
C3 C2 N1 Dy2 -60.0(7) . . . . ?
C4 C2 C3 O3 174.8(7) . . . . ?
C4 C2 N1 C5 2.2(12) . . . . ?
C4 C2 N1 Dy2 178.6(7) . . . . ?
C5 C6 C7 C8 -173.6(8) . . . . ?
C5 C6 C11 C10 171.1(8) . . . . ?
C5 C6 C11 O4 -7.7(12) . . . . ?
C6 C5 N1 C2 178.9(8) . . . . ?
C6 C5 N1 Dy2 3.6(14) . . . . ?
C6 C7 C8 C9 -0.7(13) . . . . ?
C6 C11 O4 Dy1 179.8(5) . . . . ?
C6 C11 O4 Dy2 57.5(9) . . . . ?
C7 C6 C11 C10 -7.4(11) . . . . ?
C7 C6 C11 O4 173.8(7) . . . . ?
C7 C8 C9 C10 -1.0(13) . . . . ?
C8 C9 C10 C11 -1.7(12) . . . . ?
C8 C9 C10 O5 175.4(8) . . . . ?
C9 C10 C11 C6 5.7(11) . . . . ?
C9 C10 C11 O4 -175.4(7) . . . . ?
C9 C10 O5 C12 9.1(11) . . . . ?
C9 C10 O5 Dy1 171.6(6) . . . . ?
C10 C11 O4 Dy1 1.0(10) . . . . ?
C10 C11 O4 Dy2 -121.3(7) . . . . ?
C11 C6 C7 C8 5.0(12) . . . . ?
C11 C10 O5 C12 -173.6(6) . . . . ?
C11 C10 O5 Dy1 -11.1(8) . . . . ?
C12 C13 C14 O6 -65.6(9) . . . . ?
C13 C12 O5 C10 87.3(8) . . . . ?
C13 C12 O5 Dy1 -74.0(7) . . . . ?
C13 C14 O6 C15 -101.3(8) . . . . ?
C13 C14 O6 Dy1 74.0(8) . . . . ?
C15 C16 C17 C18 4.3(13) . . . . ?
C15 C20 O7 Dy1 -8.7(10) . . . . ?
C15 C20 O7 Dy2 137.5(6) . . . 2_576 ?
C16 C15 C20 C19 -6.6(12) . . . . ?
C16 C15 C20 O7 173.2(7) . . . . ?
C16 C15 O6 C14 14.0(12) . . . . ?
C16 C15 O6 Dy1 -161.7(7) . . . . ?
C16 C17 C18 C19 -3.4(13) . . . . ?
C17 C18 C19 C20 -2.5(13) . . . . ?
C17 C18 C19 C21 178.5(8) . . . . ?
C18 C19 C20 C15 7.3(12) . . . . ?
C18 C19 C20 O7 -172.5(7) . . . . ?
C18 C19 C21 N2 -161.3(8) . . . . ?
C19 C20 O7 Dy1 171.1(6) . . . . ?
C19 C20 O7 Dy2 -42.7(11) . . . 2_576 ?
C19 C21 N2 C22 -175.9(8) . . . . ?
C19 C21 N2 Dy2 -12.8(13) . . . 2_576 ?
C20 C15 C16 C17 0.9(13) . . . . ?
C20 C15 O6 C14 -164.3(7) . . . . ?
C20 C15 O6 Dy1 20.1(9) . . . . ?
C20 C19 C21 N2 19.7(13) . . . . ?
C21 C19 C20 C15 -173.7(8) . . . . ?
C21 C19 C20 O7 6.5(13) . . . . ?
C22 C24 O8 Dy2 20.2(9) . . . 2_576 ?
C22 C25 O9 Dy1 164.0(5) . . . 2_576 ?
C22 C25 O9 Dy2 16.5(9) . . . 2_576 ?
C23 C22 C24 O8 179.4(7) . . . . ?
C23 C22 C25 O9 154.9(7) . . . . ?
C23 C22 N2 C21 -9.8(12) . . . . ?
C23 C22 N2 Dy2 -177.2(6) . . . 2_576 ?
C24 C22 C25 O9 -84.8(8) . . . . ?
C24 C22 N2 C21 -129.8(8) . . . . ?
C24 C22 N2 Dy2 62.9(6) . . . 2_576 ?
C25 C22 C24 O8 58.4(9) . . . . ?
C25 C22 N2 C21 111.9(8) . . . . ?
C25 C22 N2 Dy2 -55.4(6) . . . 2_576 ?
N1 C2 C3 O3 48.7(9) . . . . ?
N1 C5 C6 C7 153.8(9) . . . . ?
N1 C5 C6 C11 -24.8(14) . . . . ?
N2 C22 C24 O8 -56.0(8) . . . . ?
N2 C22 C25 O9 29.3(9) . . . . ?
O2 C1 C2 C3 74.9(9) . . . . ?
O2 C1 C2 C4 -165.1(7) . . . . ?
O2 C1 C2 N1 -39.7(9) . . . . ?
O5 C10 C11 C6 -171.7(6) . . . . ?
O5 C10 C11 O4 7.2(10) . . . . ?
O5 C12 C13 C14 66.5(8) . . . . ?
O6 C15 C16 C17 -177.2(8) . . . . ?
O6 C15 C20 C19 171.7(7) . . . . ?
O6 C15 C20 O7 -8.5(11) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.401 0.224 -0.020 16.5 0.0 ?
2 0.599 0.776 0.020 16.5 0.0 ?


_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_s
_audit_block_doi                 10.5517/cc1k2khp
_database_code_depnum_ccdc_archive 'CCDC 1432432'
_audit_update_record             
;
2016-12-18 deposited with the CCDC.
2016-12-26 downloaded from the CCDC.
;
_audit_creation_date             2016-12-18
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.12.12 svn.r3370 for OlexSys, GUI svn.r5273)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H60 Dy4 N4 O21, C H3 O, 1.5(N O3), 1.5(O)'
_chemical_formula_sum            'C49 H74.50 Dy4 N5.50 O28'
_chemical_formula_weight         1838.64
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   27.3361(9)
_cell_length_b                   26.2199(9)
_cell_length_c                   22.9128(8)
_cell_angle_alpha                90
_cell_angle_beta                 92.2230(10)
_cell_angle_gamma                90
_cell_volume                     16410.4(10)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9978
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.94
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.667
_exptl_absorpt_correction_T_max  0.463
_exptl_absorpt_correction_T_min  0.447
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7160
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_unetI/netI     0.0634
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            45670
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         1.08
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10609
_reflns_number_total             16128
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.299
_refine_diff_density_min         -0.810
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     795
_refine_ls_number_reflns         16128
_refine_ls_number_restraints     75
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0432
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0672P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1190
_refine_ls_wR_factor_ref         0.1355
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C49-O25
 1.43 with sigma of 0.02
 C35-H13 = C11-H4A = C23-H9 = C48-H16A
 1.99 with sigma of 0.02
 O13-H13 = O4-H4A = O9-H9 = O16-H16A
 0.82 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C39) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C49)
\\sim Ueq, Uanis(O22) \\sim Ueq, Uanis(O23) \\sim Ueq, Uanis(O24) \\sim Ueq,
Uanis(O25) \\sim Ueq, Uanis(O26) \\sim Ueq, Uanis(O27) \\sim Ueq, Uanis(O29)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C12(H12A,H12B), C23(H23A,H23B), C24(H24A,H24B), C35(H35A,
 H35B), C36(H36A,H36B), C47(H47A,H47B), C48(H48A,H48B)
4.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C15(H15), C16(H16), C17(H17), C20(H20),
 C27(H27), C28(H28), C29(H29), C32(H32), C39(H39), C40(H40), C41(H41), C44(H44)
4.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C10(H10A,H10B,H10C), C13(H13A,H13B,H13C), C22(H22A,H22B,
 H22C), C25(H25A,H25B,H25C), C34(H34A,H34B,H34C), C37(H37A,H37B,H37C), C46(H46A,
 H46B,H46C), C49(H49A,H49B,H49C)
4.d Idealised tetrahedral OH refined as rotating group:
 O4(H4A), O9(H9), O13(H13), O16(H16A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
C1 C 0.3668(3) 0.8225(3) 0.2332(4) 0.060(3) Uani 1 1 d . . . . .
H1A H 0.3951 0.8317 0.2571 0.091 Uiso 1 1 calc GR . . . .
H1B H 0.3739 0.8266 0.1928 0.091 Uiso 1 1 calc GR . . . .
H1C H 0.3583 0.7876 0.2405 0.091 Uiso 1 1 calc GR . . . .
C2 C 0.3111(3) 0.8536(3) 0.3042(3) 0.0371(18) Uani 1 1 d . . . . .
C3 C 0.3339(3) 0.8231(3) 0.3464(4) 0.048(2) Uani 1 1 d . . . . .
H3 H 0.3605 0.8029 0.3374 0.057 Uiso 1 1 calc R . . . .
C4 C 0.3164(4) 0.8232(3) 0.4025(4) 0.055(2) Uani 1 1 d . . . . .
H4 H 0.3307 0.8019 0.4308 0.067 Uiso 1 1 calc R . . . .
C5 C 0.2784(3) 0.8545(3) 0.4165(3) 0.0427(19) Uani 1 1 d . . . . .
H5 H 0.2672 0.8546 0.4544 0.051 Uiso 1 1 calc R . . . .
C6 C 0.2563(3) 0.8861(3) 0.3742(3) 0.0359(18) Uani 1 1 d . . . . .
C7 C 0.2720(3) 0.8861(3) 0.3172(3) 0.0350(17) Uani 1 1 d . . . . .
C8 C 0.2199(3) 0.9207(3) 0.3944(3) 0.0388(18) Uani 1 1 d . . . . .
H8 H 0.2185 0.9251 0.4346 0.047 Uiso 1 1 calc R . . . .
C9 C 0.1545(3) 0.9845(3) 0.3869(3) 0.0377(18) Uani 1 1 d . . . . .
C10 C 0.1586(3) 0.9919(3) 0.4527(3) 0.046(2) Uani 1 1 d . . . . .
H10A H 0.1513 0.9604 0.4718 0.070 Uiso 1 1 calc GR . . . .
H10B H 0.1359 1.0177 0.4640 0.070 Uiso 1 1 calc GR . . . .
H10C H 0.1913 1.0024 0.4639 0.070 Uiso 1 1 calc GR . . . .
C11 C 0.1034(3) 0.9652(4) 0.3718(3) 0.054(2) Uani 1 1 d D . . . .
H11A H 0.0964 0.9360 0.3961 0.064 Uiso 1 1 calc R . . . .
H11B H 0.0798 0.9917 0.3797 0.064 Uiso 1 1 calc R . . . .
C12 C 0.1666(3) 1.0347(3) 0.3561(3) 0.0376(18) Uani 1 1 d . . . . .
H12A H 0.1411 1.0595 0.3630 0.045 Uiso 1 1 calc R . . . .
H12B H 0.1972 1.0480 0.3724 0.045 Uiso 1 1 calc R . . . .
C13 C 0.1585(3) 1.1741(3) 0.3327(4) 0.054(2) Uani 1 1 d . . . . .
H13A H 0.1523 1.1658 0.3726 0.082 Uiso 1 1 calc GR . . . .
H13B H 0.1293 1.1683 0.3089 0.082 Uiso 1 1 calc GR . . . .
H13C H 0.1677 1.2094 0.3301 0.082 Uiso 1 1 calc GR . . . .
C14 C 0.2420(3) 1.1445(3) 0.3417(3) 0.0370(18) Uani 1 1 d . . . . .
C15 C 0.2527(3) 1.1759(3) 0.3888(3) 0.048(2) Uani 1 1 d . . . . .
H15 H 0.2291 1.1986 0.4014 0.058 Uiso 1 1 calc R . . . .
C16 C 0.3000(3) 1.1740(3) 0.4188(4) 0.056(2) Uani 1 1 d . . . . .
H16 H 0.3068 1.1951 0.4507 0.067 Uiso 1 1 calc R . . . .
C17 C 0.3337(3) 1.1418(3) 0.4006(4) 0.052(2) Uani 1 1 d . . . . .
H17 H 0.3637 1.1401 0.4209 0.062 Uiso 1 1 calc R . . . .
C18 C 0.3252(3) 1.1101(3) 0.3512(4) 0.044(2) Uani 1 1 d . . . . .
C19 C 0.2780(3) 1.1123(3) 0.3195(3) 0.0365(18) Uani 1 1 d . . . . .
C20 C 0.3625(3) 1.0735(3) 0.3371(4) 0.047(2) Uani 1 1 d . . . . .
H20 H 0.3876 1.0685 0.3650 0.057 Uiso 1 1 calc R . . . .
C21 C 0.4030(3) 1.0092(3) 0.2837(4) 0.051(2) Uani 1 1 d . . . . .
C22 C 0.4365(3) 0.9967(4) 0.3362(4) 0.063(3) Uani 1 1 d . . . . .
H22A H 0.4535 1.0270 0.3489 0.094 Uiso 1 1 calc GR . . . .
H22B H 0.4598 0.9713 0.3256 0.094 Uiso 1 1 calc GR . . . .
H22C H 0.4174 0.9840 0.3673 0.094 Uiso 1 1 calc GR . . . .
C23 C 0.4346(3) 1.0290(4) 0.2351(4) 0.064(3) Uani 1 1 d D . . . .
H23A H 0.4543 1.0573 0.2498 0.077 Uiso 1 1 calc R . . . .
H23B H 0.4566 1.0022 0.2234 0.077 Uiso 1 1 calc R . . . .
C24 C 0.3762(3) 0.9612(3) 0.2652(3) 0.0417(19) Uani 1 1 d . . . . .
H24A H 0.3995 0.9368 0.2508 0.050 Uiso 1 1 calc R . . . .
H24B H 0.3613 0.9463 0.2989 0.050 Uiso 1 1 calc R . . . .
C25 C 0.3734(4) 1.1209(4) 0.0760(4) 0.098(4) Uani 1 1 d . . . . .
H25A H 0.4040 1.1109 0.0602 0.147 Uiso 1 1 calc GR . . . .
H25B H 0.3797 1.1412 0.1104 0.147 Uiso 1 1 calc GR . . . .
H25C H 0.3548 1.1404 0.0475 0.147 Uiso 1 1 calc GR . . . .
C26 C 0.3317(3) 1.0443(3) 0.0454(3) 0.046(2) Uani 1 1 d . . . . .
C27 C 0.3433(3) 1.0542(4) -0.0106(4) 0.060(3) Uani 1 1 d . . . . .
H27 H 0.3624 1.0823 -0.0193 0.072 Uiso 1 1 calc R . . . .
C28 C 0.3262(3) 1.0218(4) -0.0545(4) 0.059(2) Uani 1 1 d . . . . .
H28 H 0.3333 1.0282 -0.0931 0.071 Uiso 1 1 calc R . . . .
C29 C 0.2996(4) 0.9814(4) -0.0409(4) 0.059(3) Uani 1 1 d . . . . .
H29 H 0.2878 0.9601 -0.0707 0.071 Uiso 1 1 calc R . . . .
C30 C 0.2886(3) 0.9696(3) 0.0171(4) 0.047(2) Uani 1 1 d . . . . .
C31 C 0.3058(3) 1.0023(3) 0.0624(3) 0.0393(19) Uani 1 1 d . . . . .
C32 C 0.2567(3) 0.9269(3) 0.0264(4) 0.049(2) Uani 1 1 d . . . . .
H32 H 0.2420 0.9121 -0.0067 0.059 Uiso 1 1 calc R . . . .
C33 C 0.2083(3) 0.8651(3) 0.0805(3) 0.046(2) Uani 1 1 d . . . . .
C34 C 0.1793(3) 0.8508(4) 0.0255(4) 0.060(3) Uani 1 1 d . . . . .
H34A H 0.1624 0.8803 0.0102 0.091 Uiso 1 1 calc GR . . . .
H34B H 0.1559 0.8248 0.0344 0.091 Uiso 1 1 calc GR . . . .
H34C H 0.2011 0.8381 -0.0029 0.091 Uiso 1 1 calc GR . . . .
C35 C 0.2374(3) 0.8188(3) 0.1007(3) 0.050(2) Uani 1 1 d D . . . .
H35A H 0.2152 0.7922 0.1125 0.060 Uiso 1 1 calc R . . . .
H35B H 0.2560 0.8058 0.0686 0.060 Uiso 1 1 calc R . . . .
C36 C 0.1736(3) 0.8847(3) 0.1252(3) 0.046(2) Uani 1 1 d . . . . .
H36A H 0.1528 0.9109 0.1074 0.055 Uiso 1 1 calc R . . . .
H36B H 0.1527 0.8570 0.1371 0.055 Uiso 1 1 calc R . . . .
C37 C 0.0606(3) 0.8827(4) 0.2001(4) 0.070(3) Uani 1 1 d . . . . .
H37A H 0.0274 0.8923 0.2065 0.105 Uiso 1 1 calc GR . . . .
H37B H 0.0729 0.8623 0.2322 0.105 Uiso 1 1 calc GR . . . .
H37C H 0.0618 0.8633 0.1646 0.105 Uiso 1 1 calc GR . . . .
C38 C 0.0753(3) 0.9599(4) 0.1524(4) 0.051(2) Uani 1 1 d . . . . .
C39 C 0.0339(3) 0.9539(4) 0.1160(4) 0.066(3) Uani 1 1 d . U . . .
H39 H 0.0142 0.9253 0.1198 0.079 Uiso 1 1 calc R . . . .
C40 C 0.0219(4) 0.9901(4) 0.0742(4) 0.069(3) Uani 1 1 d . U . . .
H40 H -0.0067 0.9859 0.0514 0.083 Uiso 1 1 calc R . . . .
C41 C 0.0502(3) 1.0317(4) 0.0651(4) 0.069(3) Uani 1 1 d . U . . .
H41 H 0.0420 1.0544 0.0351 0.083 Uiso 1 1 calc R . . . .
C42 C 0.0938(3) 1.0403(4) 0.1032(3) 0.056(3) Uani 1 1 d . . . . .
C43 C 0.1053(3) 1.0041(3) 0.1467(3) 0.044(2) Uani 1 1 d . . . . .
C44 C 0.1228(3) 1.0828(4) 0.0877(4) 0.052(2) Uani 1 1 d . . . . .
H44 H 0.1155 1.0990 0.0524 0.063 Uiso 1 1 calc R . . . .
C45 C 0.1907(4) 1.1428(3) 0.0989(3) 0.053(2) Uani 1 1 d . . . . .
C46 C 0.1772(4) 1.1613(3) 0.0364(3) 0.073(3) Uani 1 1 d . . . . .
H46A H 0.2024 1.1835 0.0232 0.110 Uiso 1 1 calc GR . . . .
H46B H 0.1467 1.1794 0.0362 0.110 Uiso 1 1 calc GR . . . .
H46C H 0.1742 1.1324 0.0107 0.110 Uiso 1 1 calc GR . . . .
C47 C 0.2405(3) 1.1216(3) 0.1042(3) 0.053(2) Uani 1 1 d . . . . .
H47A H 0.2444 1.0967 0.0734 0.064 Uiso 1 1 calc R . . . .
H47B H 0.2639 1.1488 0.0985 0.064 Uiso 1 1 calc R . . . .
C48 C 0.1798(4) 1.1879(3) 0.1393(3) 0.061(3) Uani 1 1 d D . . . .
H48A H 0.2027 1.2154 0.1329 0.073 Uiso 1 1 calc R . . . .
H48B H 0.1469 1.2005 0.1308 0.073 Uiso 1 1 calc R . . . .
C49 C 0.1414(7) 0.8086(8) 0.3929(7) 0.194(8) Uani 1 1 d D U . . .
H49A H 0.1331 0.8268 0.4275 0.291 Uiso 1 1 calc GR . . . .
H49B H 0.1120 0.7980 0.3720 0.291 Uiso 1 1 calc GR . . . .
H49C H 0.1600 0.8304 0.3685 0.291 Uiso 1 1 calc GR . . . .
Dy1 Dy 0.18994(2) 1.07937(2) 0.22154(2) 0.03590(11) Uani 1 1 d . . . . .
Dy2 Dy 0.31531(2) 1.05209(2) 0.19659(2) 0.03790(11) Uani 1 1 d . . . . .
Dy3 Dy 0.28088(2) 0.92195(2) 0.17667(2) 0.03387(10) Uani 1 1 d . . . . .
Dy4 Dy 0.17265(2) 0.94769(2) 0.25374(2) 0.03397(10) Uani 1 1 d . . . . .
N1 N 0.1886(2) 0.9464(2) 0.3619(2) 0.0336(14) Uani 1 1 d . . . . .
N2 N 0.3645(2) 1.0477(2) 0.2907(3) 0.0411(16) Uani 1 1 d . . . . .
N3 N 0.2464(2) 0.9070(2) 0.0765(3) 0.0432(16) Uani 1 1 d . . . . .
N4 N 0.1583(3) 1.0999(3) 0.1196(3) 0.0506(18) Uani 1 1 d . . . . .
N5 N 0.2261(4) 0.7483(3) 0.2496(4) 0.077(3) Uani 1 1 d . . . . .
N6 N 0.0000 0.0216(5) 0.2500 0.069(3) Uani 1 2 d S T P . .
O1 O 0.24021(17) 1.00033(18) 0.2126(2) 0.0407(13) Uani 1 1 d . . . . .
O2 O 0.32493(18) 0.85627(19) 0.2476(2) 0.0407(13) Uani 1 1 d . . . . .
O3 O 0.25205(17) 0.91399(18) 0.2744(2) 0.0340(12) Uani 1 1 d . . . . .
O4 O 0.09890(18) 0.9505(2) 0.3101(2) 0.0464(14) Uani 1 1 d D . . . .
H4A H 0.0733 0.9621 0.2955 0.070 Uiso 1 1 calc DGR . . . .
O5 O 0.17036(17) 1.02775(18) 0.2956(2) 0.0339(11) Uani 1 1 d . . . . .
O6 O 0.19836(19) 1.14188(19) 0.3121(2) 0.0407(13) Uani 1 1 d . . . . .
O7 O 0.26766(18) 1.08461(18) 0.2732(2) 0.0381(12) Uani 1 1 d . . . . .
O8 O 0.33934(17) 0.9705(2) 0.2211(2) 0.0401(12) Uani 1 1 d . . . . .
O9 O 0.4047(2) 1.0459(2) 0.1843(3) 0.0554(16) Uani 1 1 d D . . . .
H9 H 0.4107 1.0281 0.1561 0.07(3) Uiso 1 1 calc DGR . . . .
O10 O 0.3455(2) 1.0750(2) 0.0915(3) 0.0565(16) Uani 1 1 d . . . . .
O11 O 0.29662(18) 0.99459(19) 0.1178(2) 0.0387(12) Uani 1 1 d . . . . .
O12 O 0.19852(18) 0.90521(19) 0.1752(2) 0.0395(13) Uani 1 1 d . . . . .
O13 O 0.27089(18) 0.8320(2) 0.1498(2) 0.0430(13) Uani 1 1 d D . . . .
H13 H 0.2920 0.8099 0.1537 0.064 Uiso 1 1 calc DGR . . . .
O14 O 0.09037(19) 0.9280(2) 0.1953(3) 0.0508(15) Uani 1 1 d . . . . .
O15 O 0.14320(17) 1.00927(19) 0.1843(2) 0.0408(13) Uani 1 1 d . . . . .
O16 O 0.1844(2) 1.1708(2) 0.2002(2) 0.0497(15) Uani 1 1 d D . . . .
H16A H 0.1934 1.1947 0.2210 0.074 Uiso 1 1 calc DGR . . . .
O17 O 0.2510(2) 1.09805(19) 0.1589(2) 0.0441(13) Uani 1 1 d . . . . .
O18 O 0.10554(19) 1.1053(2) 0.2363(2) 0.0529(15) Uani 1 1 d . . . . .
O19 O 0.3466(2) 1.1384(2) 0.2076(3) 0.0639(18) Uani 1 1 d . . . . .
O20 O 0.35210(19) 0.8986(2) 0.1230(2) 0.0513(15) Uani 1 1 d . . . . .
O21 O 0.15546(19) 0.8608(2) 0.2806(2) 0.0501(14) Uani 1 1 d . . . . .
O22 O 0.2670(3) 0.7554(3) 0.2325(3) 0.093(3) Uani 1 1 d . U . . .
O23 O 0.1914(4) 0.7719(3) 0.2276(3) 0.123(4) Uani 1 1 d . U . . .
O24 O 0.2183(3) 0.7161(4) 0.2862(4) 0.129(4) Uani 1 1 d . U . . .
O25 O 0.1722(7) 0.7612(6) 0.4102(7) 0.253(8) Uani 1 1 d D U . . .
O26 O 0.4309(3) 0.9651(4) 0.1118(4) 0.128(3) Uani 1 1 d . U . . .
O27 O 0.0348(4) 0.0412(4) 0.2740(4) 0.150(4) Uani 1 1 d . U . . .
O28 O 0.0000 -0.0250(5) 0.2500 0.129(5) Uani 1 2 d S T P . .
O29 O 0.5000 0.8817(9) 0.2500 0.260(10) Uani 1 2 d S TU P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O2 1.494(9) . ?
C2 C3 1.385(10) . ?
C2 C7 1.407(10) . ?
C2 O2 1.366(8) . ?
C3 C4 1.388(11) . ?
C4 C5 1.374(11) . ?
C5 C6 1.394(10) . ?
C6 C7 1.392(10) . ?
C6 C8 1.436(10) . ?
C7 O3 1.324(8) . ?
C8 N1 1.300(9) . ?
C9 C10 1.521(10) . ?
C9 C11 1.511(10) . ?
C9 C12 1.535(10) . ?
C9 N1 1.497(9) . ?
C11 O4 1.467(9) . ?
C12 O5 1.405(8) . ?
C13 O6 1.473(9) . ?
C14 C15 1.381(10) . ?
C14 C19 1.407(10) . ?
C14 O6 1.350(9) . ?
C15 C16 1.441(12) . ?
C16 C17 1.329(12) . ?
C17 C18 1.416(11) . ?
C18 C19 1.458(11) . ?
C18 C20 1.445(11) . ?
C19 O7 1.308(9) . ?
C20 N2 1.263(10) . ?
C21 C22 1.520(11) . ?
C21 C23 1.526(11) . ?
C21 C24 1.508(11) . ?
C21 N2 1.472(10) . ?
C23 O9 1.464(10) . ?
C24 O8 1.420(9) . ?
C25 O10 1.475(11) . ?
C26 C27 1.358(11) . ?
C26 C31 1.374(11) . ?
C26 O10 1.371(10) . ?
C27 C28 1.383(13) . ?
C28 C29 1.330(13) . ?
C29 C30 1.408(11) . ?
C30 C31 1.412(11) . ?
C30 C32 1.438(12) . ?
C31 O11 1.320(8) . ?
C32 N3 1.301(10) . ?
C33 C34 1.510(11) . ?
C33 C35 1.515(11) . ?
C33 C36 1.514(10) . ?
C33 N3 1.519(10) . ?
C35 O13 1.464(9) . ?
C36 O12 1.415(9) . ?
C37 O14 1.447(10) . ?
C38 C39 1.388(12) . ?
C38 C43 1.429(12) . ?
C38 O14 1.343(10) . ?
C39 C40 1.378(13) . ?
C40 C41 1.357(14) . ?
C41 C42 1.468(13) . ?
C42 C43 1.402(12) . ?
C42 C44 1.423(13) . ?
C43 O15 1.329(9) . ?
C44 N4 1.273(11) . ?
C45 C46 1.543(11) . ?
C45 C47 1.471(11) . ?
C45 C48 1.536(11) . ?
C45 N4 1.520(11) . ?
C47 O17 1.418(9) . ?
C48 O16 1.465(8) . ?
C49 O25 1.543(15) . ?
Dy1 Dy2 3.5687(5) . ?
Dy1 Dy4 3.5661(5) . ?
Dy1 N4 2.516(7) . ?
Dy1 O1 2.500(5) . ?
Dy1 O5 2.252(5) . ?
Dy1 O6 2.647(5) . ?
Dy1 O7 2.396(5) . ?
Dy1 O15 2.378(5) . ?
Dy1 O16 2.449(5) . ?
Dy1 O17 2.296(5) . ?
Dy1 O18 2.441(5) . ?
Dy2 Dy3 3.5643(5) . ?
Dy2 N2 2.498(7) . ?
Dy2 O1 2.500(5) . ?
Dy2 O7 2.384(5) . ?
Dy2 O8 2.301(5) . ?
Dy2 O9 2.477(6) . ?
Dy2 O10 2.644(5) . ?
Dy2 O11 2.392(5) . ?
Dy2 O17 2.274(5) . ?
Dy2 O19 2.430(6) . ?
Dy3 Dy4 3.5682(5) . ?
Dy3 N3 2.479(6) . ?
Dy3 O1 2.492(5) . ?
Dy3 O2 2.628(5) . ?
Dy3 O3 2.411(5) . ?
Dy3 O8 2.255(5) . ?
Dy3 O11 2.383(5) . ?
Dy3 O12 2.293(5) . ?
Dy3 O13 2.450(5) . ?
Dy3 O20 2.422(5) . ?
Dy4 N1 2.500(6) . ?
Dy4 O1 2.517(5) . ?
Dy4 O3 2.374(5) . ?
Dy4 O4 2.437(5) . ?
Dy4 O5 2.310(5) . ?
Dy4 O12 2.254(5) . ?
Dy4 O14 2.624(5) . ?
Dy4 O15 2.385(5) . ?
Dy4 O21 2.412(5) . ?
N5 O22 1.214(11) . ?
N5 O23 1.225(11) . ?
N5 O24 1.213(10) . ?
N6 O27 1.196(9) 2 ?
N6 O27 1.196(9) . ?
N6 O28 1.223(15) . ?

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
C3 C2 C7 121.8(7) . . ?
O2 C2 C3 124.0(7) . . ?
O2 C2 C7 114.2(7) . . ?
C2 C3 C4 118.9(7) . . ?
C5 C4 C3 120.6(8) . . ?
C4 C5 C6 120.2(7) . . ?
C5 C6 C8 116.0(7) . . ?
C7 C6 C5 120.8(7) . . ?
C7 C6 C8 123.0(7) . . ?
C6 C7 C2 117.6(7) . . ?
O3 C7 C2 118.2(7) . . ?
O3 C7 C6 124.2(7) . . ?
N1 C8 C6 126.2(7) . . ?
C10 C9 C12 109.7(6) . . ?
C11 C9 C10 107.6(6) . . ?
C11 C9 C12 113.3(7) . . ?
N1 C9 C10 116.1(6) . . ?
N1 C9 C11 105.8(6) . . ?
N1 C9 C12 104.4(5) . . ?
O4 C11 C9 110.5(6) . . ?
O5 C12 C9 111.6(6) . . ?
C15 C14 C19 120.7(8) . . ?
O6 C14 C15 125.5(7) . . ?
O6 C14 C19 113.8(7) . . ?
C14 C15 C16 120.8(8) . . ?
C17 C16 C15 119.5(8) . . ?
C16 C17 C18 122.1(8) . . ?
C17 C18 C19 119.2(8) . . ?
C17 C18 C20 118.3(8) . . ?
C20 C18 C19 122.2(7) . . ?
C14 C19 C18 117.6(7) . . ?
O7 C19 C14 119.6(7) . . ?
O7 C19 C18 122.7(7) . . ?
N2 C20 C18 126.7(8) . . ?
C22 C21 C23 108.0(7) . . ?
C24 C21 C22 108.3(7) . . ?
C24 C21 C23 111.2(7) . . ?
N2 C21 C22 118.2(7) . . ?
N2 C21 C23 105.9(7) . . ?
N2 C21 C24 105.1(6) . . ?
O9 C23 C21 111.6(6) . . ?
O8 C24 C21 112.3(7) . . ?
C27 C26 C31 124.2(8) . . ?
C27 C26 O10 123.3(8) . . ?
O10 C26 C31 112.4(7) . . ?
C26 C27 C28 118.9(9) . . ?
C29 C28 C27 119.5(9) . . ?
C28 C29 C30 122.3(9) . . ?
C29 C30 C31 118.8(8) . . ?
C29 C30 C32 117.6(8) . . ?
C31 C30 C32 123.4(7) . . ?
C26 C31 C30 116.1(7) . . ?
O11 C31 C26 121.0(7) . . ?
O11 C31 C30 122.9(7) . . ?
N3 C32 C30 126.6(8) . . ?
C34 C33 C35 107.9(7) . . ?
C34 C33 C36 109.0(7) . . ?
C34 C33 N3 117.9(7) . . ?
C35 C33 N3 104.2(6) . . ?
C36 C33 C35 113.7(7) . . ?
C36 C33 N3 104.2(6) . . ?
O13 C35 C33 110.5(6) . . ?
O12 C36 C33 112.4(6) . . ?
C39 C38 C43 119.6(9) . . ?
O14 C38 C39 126.1(9) . . ?
O14 C38 C43 114.3(7) . . ?
C40 C39 C38 120.4(10) . . ?
C41 C40 C39 122.7(9) . . ?
C40 C41 C42 118.9(10) . . ?
C43 C42 C41 118.4(9) . . ?
C43 C42 C44 126.5(8) . . ?
C44 C42 C41 114.8(9) . . ?
C42 C43 C38 120.0(8) . . ?
O15 C43 C38 117.3(8) . . ?
O15 C43 C42 122.7(8) . . ?
N4 C44 C42 123.6(8) . . ?
C47 C45 C46 112.4(7) . . ?
C47 C45 C48 116.2(8) . . ?
C47 C45 N4 104.0(7) . . ?
C48 C45 C46 105.9(7) . . ?
N4 C45 C46 113.7(8) . . ?
N4 C45 C48 104.6(7) . . ?
O17 C47 C45 113.2(7) . . ?
O16 C48 C45 109.1(6) . . ?
Dy4 Dy1 Dy2 88.557(11) . . ?
N4 Dy1 Dy2 101.05(15) . . ?
N4 Dy1 Dy4 110.81(17) . . ?
N4 Dy1 O6 127.69(19) . . ?
O1 Dy1 Dy2 44.46(10) . . ?
O1 Dy1 Dy4 44.90(10) . . ?
O1 Dy1 N4 105.75(19) . . ?
O1 Dy1 O6 123.10(17) . . ?
O5 Dy1 Dy2 104.95(12) . . ?
O5 Dy1 Dy4 39.17(12) . . ?
O5 Dy1 N4 138.1(2) . . ?
O5 Dy1 O1 73.18(16) . . ?
O5 Dy1 O6 78.31(16) . . ?
O5 Dy1 O7 83.92(17) . . ?
O5 Dy1 O15 70.47(17) . . ?
O5 Dy1 O16 136.39(17) . . ?
O5 Dy1 O17 143.05(18) . . ?
O5 Dy1 O18 79.00(18) . . ?
O6 Dy1 Dy2 101.23(11) . . ?
O6 Dy1 Dy4 116.46(11) . . ?
O7 Dy1 Dy2 41.57(11) . . ?
O7 Dy1 Dy4 94.32(12) . . ?
O7 Dy1 N4 135.4(2) . . ?
O7 Dy1 O1 66.92(16) . . ?
O7 Dy1 O6 61.88(16) . . ?
O7 Dy1 O16 95.16(19) . . ?
O7 Dy1 O18 137.75(17) . . ?
O15 Dy1 Dy2 107.07(12) . . ?
O15 Dy1 Dy4 41.59(12) . . ?
O15 Dy1 N4 70.8(2) . . ?
O15 Dy1 O1 67.62(16) . . ?
O15 Dy1 O6 142.10(16) . . ?
O15 Dy1 O7 132.49(16) . . ?
O15 Dy1 O16 131.00(19) . . ?
O15 Dy1 O18 76.55(18) . . ?
O16 Dy1 Dy2 102.52(15) . . ?
O16 Dy1 Dy4 168.79(15) . . ?
O16 Dy1 N4 65.7(2) . . ?
O16 Dy1 O1 145.60(18) . . ?
O16 Dy1 O6 63.49(16) . . ?
O17 Dy1 Dy2 38.43(13) . . ?
O17 Dy1 Dy4 116.18(13) . . ?
O17 Dy1 N4 66.8(2) . . ?
O17 Dy1 O1 73.17(16) . . ?
O17 Dy1 O6 108.34(17) . . ?
O17 Dy1 O7 69.16(18) . . ?
O17 Dy1 O15 109.52(18) . . ?
O17 Dy1 O16 73.00(18) . . ?
O17 Dy1 O18 137.85(19) . . ?
O18 Dy1 Dy2 175.28(14) . . ?
O18 Dy1 Dy4 96.16(14) . . ?
O18 Dy1 N4 77.1(2) . . ?
O18 Dy1 O1 140.14(18) . . ?
O18 Dy1 O6 76.86(17) . . ?
O18 Dy1 O16 72.8(2) . . ?
Dy3 Dy2 Dy1 87.823(11) . . ?
N2 Dy2 Dy1 111.01(14) . . ?
N2 Dy2 Dy3 101.36(14) . . ?
N2 Dy2 O1 105.39(18) . . ?
N2 Dy2 O10 128.3(2) . . ?
O1 Dy2 Dy1 44.45(10) . . ?
O1 Dy2 Dy3 44.34(10) . . ?
O1 Dy2 O10 123.00(18) . . ?
O7 Dy2 Dy1 41.82(12) . . ?
O7 Dy2 Dy3 106.72(12) . . ?
O7 Dy2 N2 70.84(19) . . ?
O7 Dy2 O1 67.09(16) . . ?
O7 Dy2 O9 132.6(2) . . ?
O7 Dy2 O10 142.00(17) . . ?
O7 Dy2 O11 132.41(17) . . ?
O7 Dy2 O19 77.92(17) . . ?
O8 Dy2 Dy1 114.46(12) . . ?
O8 Dy2 Dy3 38.06(12) . . ?
O8 Dy2 N2 66.90(19) . . ?
O8 Dy2 O1 71.80(16) . . ?
O8 Dy2 O7 108.16(17) . . ?
O8 Dy2 O9 72.11(19) . . ?
O8 Dy2 O10 109.71(18) . . ?
O8 Dy2 O11 69.45(17) . . ?
O8 Dy2 O19 138.1(2) . . ?
O9 Dy2 Dy1 171.71(15) . . ?
O9 Dy2 Dy3 100.32(15) . . ?
O9 Dy2 N2 66.1(2) . . ?
O9 Dy2 O1 143.18(18) . . ?
O9 Dy2 O10 64.3(2) . . ?
O10 Dy2 Dy1 115.86(13) . . ?
O10 Dy2 Dy3 101.03(13) . . ?
O11 Dy2 Dy1 93.95(12) . . ?
O11 Dy2 Dy3 41.61(11) . . ?
O11 Dy2 N2 135.58(19) . . ?
O11 Dy2 O1 67.43(16) . . ?
O11 Dy2 O9 93.18(19) . . ?
O11 Dy2 O10 61.40(18) . . ?
O11 Dy2 O19 136.85(18) . . ?
O17 Dy2 Dy1 38.89(12) . . ?
O17 Dy2 Dy3 105.21(14) . . ?
O17 Dy2 N2 137.2(2) . . ?
O17 Dy2 O1 73.53(17) . . ?
O17 Dy2 O7 69.74(18) . . ?
O17 Dy2 O8 142.62(18) . . ?
O17 Dy2 O9 138.04(19) . . ?
O17 Dy2 O10 78.35(18) . . ?
O17 Dy2 O11 84.73(18) . . ?
O17 Dy2 O19 79.0(2) . . ?
O19 Dy2 Dy1 97.66(15) . . ?
O19 Dy2 Dy3 174.50(15) . . ?
O19 Dy2 N2 77.2(2) . . ?
O19 Dy2 O1 141.12(18) . . ?
O19 Dy2 O9 74.2(2) . . ?
O19 Dy2 O10 76.20(19) . . ?
Dy2 Dy3 Dy4 88.592(11) . . ?
N3 Dy3 Dy2 111.02(15) . . ?
N3 Dy3 Dy4 101.25(15) . . ?
N3 Dy3 O1 106.12(19) . . ?
N3 Dy3 O2 128.20(18) . . ?
O1 Dy3 Dy2 44.53(10) . . ?
O1 Dy3 Dy4 44.87(10) . . ?
O1 Dy3 O2 122.37(16) . . ?
O2 Dy3 Dy2 115.83(11) . . ?
O2 Dy3 Dy4 100.75(11) . . ?
O3 Dy3 Dy2 93.34(11) . . ?
O3 Dy3 Dy4 41.38(11) . . ?
O3 Dy3 N3 136.04(19) . . ?
O3 Dy3 O1 66.32(16) . . ?
O3 Dy3 O2 61.79(15) . . ?
O3 Dy3 O13 96.47(17) . . ?
O3 Dy3 O20 138.42(17) . . ?
O8 Dy3 Dy2 38.99(13) . . ?
O8 Dy3 Dy4 104.86(12) . . ?
O8 Dy3 N3 138.1(2) . . ?
O8 Dy3 O1 72.70(17) . . ?
O8 Dy3 O2 77.93(17) . . ?
O8 Dy3 O3 83.17(17) . . ?
O8 Dy3 O11 70.37(18) . . ?
O8 Dy3 O12 142.48(17) . . ?
O8 Dy3 O13 136.64(17) . . ?
O8 Dy3 O20 78.62(19) . . ?
O11 Dy3 Dy2 41.81(12) . . ?
O11 Dy3 Dy4 107.48(11) . . ?
O11 Dy3 N3 70.9(2) . . ?
O11 Dy3 O1 67.70(16) . . ?
O11 Dy3 O2 141.77(16) . . ?
O11 Dy3 O3 131.88(16) . . ?
O11 Dy3 O13 130.39(17) . . ?
O11 Dy3 O20 75.42(18) . . ?
O12 Dy3 Dy2 116.07(12) . . ?
O12 Dy3 Dy4 37.91(12) . . ?
O12 Dy3 N3 67.53(19) . . ?
O12 Dy3 O1 73.28(16) . . ?
O12 Dy3 O2 108.06(17) . . ?
O12 Dy3 O3 68.97(17) . . ?
O12 Dy3 O11 110.07(18) . . ?
O12 Dy3 O13 73.27(17) . . ?
O12 Dy3 O20 138.78(18) . . ?
O13 Dy3 Dy2 168.53(12) . . ?
O13 Dy3 Dy4 102.70(12) . . ?
O13 Dy3 N3 65.21(19) . . ?
O13 Dy3 O1 146.11(16) . . ?
O13 Dy3 O2 64.45(16) . . ?
O20 Dy3 Dy2 95.38(14) . . ?
O20 Dy3 Dy4 176.00(14) . . ?
O20 Dy3 N3 76.94(19) . . ?
O20 Dy3 O1 138.97(18) . . ?
O20 Dy3 O2 77.91(17) . . ?
O20 Dy3 O13 73.31(18) . . ?
Dy1 Dy4 Dy3 87.804(11) . . ?
N1 Dy4 Dy1 101.49(13) . . ?
N1 Dy4 Dy3 111.83(14) . . ?
N1 Dy4 O1 106.04(17) . . ?
N1 Dy4 O14 128.05(18) . . ?
O1 Dy4 Dy1 44.50(10) . . ?
O1 Dy4 Dy3 44.29(10) . . ?
O1 Dy4 O14 122.93(18) . . ?
O3 Dy4 Dy1 105.91(11) . . ?
O3 Dy4 Dy3 42.18(11) . . ?
O3 Dy4 N1 70.99(18) . . ?
O3 Dy4 O1 66.45(15) . . ?
O3 Dy4 O4 132.43(18) . . ?
O3 Dy4 O14 141.94(17) . . ?
O3 Dy4 O15 131.87(16) . . ?
O3 Dy4 O21 77.47(17) . . ?
O4 Dy4 Dy1 101.47(14) . . ?
O4 Dy4 Dy3 170.70(14) . . ?
O4 Dy4 N1 65.88(18) . . ?
O4 Dy4 O1 144.62(17) . . ?
O4 Dy4 O14 64.28(17) . . ?
O5 Dy4 Dy1 37.99(11) . . ?
O5 Dy4 Dy3 114.44(11) . . ?
O5 Dy4 N1 66.88(18) . . ?
O5 Dy4 O1 71.90(15) . . ?
O5 Dy4 O3 107.15(16) . . ?
O5 Dy4 O4 73.49(17) . . ?
O5 Dy4 O14 110.75(17) . . ?
O5 Dy4 O15 69.38(16) . . ?
O5 Dy4 O21 138.06(18) . . ?
O12 Dy4 Dy1 105.37(13) . . ?
O12 Dy4 Dy3 38.69(13) . . ?
O12 Dy4 N1 137.47(19) . . ?
O12 Dy4 O1 73.42(17) . . ?
O12 Dy4 O3 70.27(17) . . ?
O12 Dy4 O4 136.88(18) . . ?
O12 Dy4 O5 142.67(17) . . ?
O12 Dy4 O14 77.55(17) . . ?
O12 Dy4 O15 84.84(18) . . ?
O12 Dy4 O21 78.90(18) . . ?
O14 Dy4 Dy1 101.70(14) . . ?
O14 Dy4 Dy3 114.89(12) . . ?
O15 Dy4 Dy1 41.44(12) . . ?
O15 Dy4 Dy3 93.61(12) . . ?
O15 Dy4 N1 135.41(18) . . ?
O15 Dy4 O1 67.22(16) . . ?
O15 Dy4 O4 93.88(18) . . ?
O15 Dy4 O14 62.11(18) . . ?
O15 Dy4 O21 138.26(18) . . ?
O21 Dy4 Dy1 175.19(13) . . ?
O21 Dy4 Dy3 96.97(13) . . ?
O21 Dy4 N1 76.21(18) . . ?
O21 Dy4 O1 140.06(17) . . ?
O21 Dy4 O4 73.75(19) . . ?
O21 Dy4 O14 76.87(19) . . ?
C8 N1 C9 122.2(6) . . ?
C8 N1 Dy4 131.4(5) . . ?
C9 N1 Dy4 106.4(4) . . ?
C20 N2 C21 120.9(7) . . ?
C20 N2 Dy2 131.5(6) . . ?
C21 N2 Dy2 107.5(5) . . ?
C32 N3 C33 121.1(7) . . ?
C32 N3 Dy3 131.7(6) . . ?
C33 N3 Dy3 107.1(5) . . ?
C44 N4 C45 121.4(7) . . ?
C44 N4 Dy1 133.2(6) . . ?
C45 N4 Dy1 105.4(5) . . ?
O22 N5 O23 119.7(10) . . ?
O24 N5 O22 121.3(10) . . ?
O24 N5 O23 118.9(11) . . ?
O27 N6 O27 129.3(18) . 2 ?
O27 N6 O28 115.3(9) . . ?
O27 N6 O28 115.3(9) 2 . ?
Dy1 O1 Dy2 91.09(15) . . ?
Dy1 O1 Dy4 90.60(14) . . ?
Dy2 O1 Dy4 166.2(2) . . ?
Dy3 O1 Dy1 164.7(2) . . ?
Dy3 O1 Dy2 91.13(14) . . ?
Dy3 O1 Dy4 90.85(15) . . ?
C1 O2 Dy3 126.0(5) . . ?
C2 O2 C1 115.0(6) . . ?
C2 O2 Dy3 118.9(4) . . ?
C7 O3 Dy3 126.5(4) . . ?
C7 O3 Dy4 134.5(4) . . ?
Dy4 O3 Dy3 96.43(17) . . ?
C11 O4 Dy4 118.6(4) . . ?
C12 O5 Dy1 134.0(4) . . ?
C12 O5 Dy4 122.1(4) . . ?
Dy1 O5 Dy4 102.84(18) . . ?
C13 O6 Dy1 124.3(5) . . ?
C14 O6 C13 117.4(6) . . ?
C14 O6 Dy1 118.3(4) . . ?
C19 O7 Dy1 126.3(5) . . ?
C19 O7 Dy2 133.6(5) . . ?
Dy2 O7 Dy1 96.61(17) . . ?
C24 O8 Dy2 121.4(4) . . ?
C24 O8 Dy3 134.0(5) . . ?
Dy3 O8 Dy2 102.94(19) . . ?
C23 O9 Dy2 116.9(4) . . ?
C25 O10 Dy2 125.9(5) . . ?
C26 O10 C25 115.0(7) . . ?
C26 O10 Dy2 118.8(5) . . ?
C31 O11 Dy2 125.9(5) . . ?
C31 O11 Dy3 135.4(5) . . ?
Dy3 O11 Dy2 96.57(17) . . ?
C36 O12 Dy3 121.8(4) . . ?
C36 O12 Dy4 132.6(4) . . ?
Dy4 O12 Dy3 103.4(2) . . ?
C35 O13 Dy3 118.8(4) . . ?
C37 O14 Dy4 126.6(6) . . ?
C38 O14 C37 114.2(7) . . ?
C38 O14 Dy4 118.9(5) . . ?
C43 O15 Dy1 134.9(5) . . ?
C43 O15 Dy4 126.8(5) . . ?
Dy1 O15 Dy4 96.96(17) . . ?
C48 O16 Dy1 119.4(4) . . ?
C47 O17 Dy1 121.2(5) . . ?
C47 O17 Dy2 134.0(5) . . ?
Dy2 O17 Dy1 102.7(2) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 -0.275 2754.4 2083.4 ?
2 0.250 0.250 0.000 11.9 8.7 ?
3 0.250 0.750 0.500 11.9 8.7 ?
4 0.500 0.000 -0.210 2754.4 2083.4 ?
5 0.750 0.250 0.500 11.9 8.7 ?
6 0.750 0.750 0.000 11.9 8.7 ?


_olex2_submission_special_instructions 'No special instructions were received'
