# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_nw2221_0m
_database_code_depnum_ccdc_archive 'CCDC 1860308'
_audit_update_record             
;
2018-08-05 deposited with the CCDC.
2018-10-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H18 Dy N3 O7 S'
_chemical_formula_sum            'C29 H18 Dy N3 O7 S'
_chemical_formula_weight         715.02

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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

_cell_length_a                   9.096(4)
_cell_length_b                   13.463(7)
_cell_length_c                   20.685(10)
_cell_angle_alpha                90
_cell_angle_beta                 97.556(10)
_cell_angle_gamma                90
_cell_volume                     2511(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    552
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      18.07

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_F_000             1404
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    3.116
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.510
_exptl_absorpt_correction_T_max  0.590
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12203
_diffrn_reflns_av_unetI/netI     0.1743
_diffrn_reflns_av_R_equivalents  0.1356
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.986
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_full        25.050
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4436
_reflns_number_gt                2472
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0438P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4436
_refine_ls_number_parameters     370
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1360
_refine_ls_R_factor_gt           0.0657
_refine_ls_wR_factor_ref         0.1422
_refine_ls_wR_factor_gt          0.1142
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_restrained_S_all      0.959
_refine_ls_shift/su_max          0.000
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.72303(6) 0.91863(5) 0.44612(3) 0.02532(19) Uani 1 1 d . . . . .
S1 S 0.7152(4) 0.4926(3) 0.22065(17) 0.0409(9) Uani 1 1 d . . . . .
N1 N 0.8526(11) 0.7821(8) 0.5174(4) 0.031(3) Uani 1 1 d . . . . .
N2 N 0.6682(10) 0.7446(8) 0.4081(4) 0.024(2) Uani 1 1 d . . . . .
N3 N 0.4877(10) 0.8964(7) 0.3671(5) 0.026(3) Uani 1 1 d . . . . .
O1 O 0.7416(8) 0.4286(8) 0.1657(4) 0.041(2) Uani 1 1 d . . . . .
O2 O 0.6088(11) 0.5695(8) 0.2010(4) 0.060(3) Uani 1 1 d . . . . .
O3 O 0.8502(11) 0.5275(9) 0.2591(5) 0.069(3) Uani 1 1 d . . . . .
O4 O 0.6492(8) 1.0810(7) 0.4385(4) 0.0304(19) Uani 1 1 d . . . . .
O5 O 0.4587(8) 1.1250(6) 0.4898(4) 0.031(2) Uani 1 1 d . . . . .
O6 O 0.8042(9) 1.0012(7) 0.5430(4) 0.033(2) Uani 1 1 d . . . . .
O7 O 1.0330(9) 1.0636(7) 0.5615(4) 0.039(2) Uani 1 1 d . . . . .
C1 C 0.9459(15) 0.8031(11) 0.5736(6) 0.040(4) Uani 1 1 d . . . . .
H1 H 0.9600 0.8691 0.5862 0.048 Uiso 1 1 calc R U . . .
C2 C 1.0192(15) 0.7305(12) 0.6119(7) 0.054(4) Uani 1 1 d . . . . .
H2 H 1.0848 0.7480 0.6484 0.065 Uiso 1 1 calc R U . . .
C3 C 0.9957(16) 0.6322(12) 0.5964(7) 0.051(4) Uani 1 1 d . . . . .
H3 H 1.0390 0.5820 0.6233 0.061 Uiso 1 1 calc R U . . .
C4 C 0.9043(13) 0.6105(11) 0.5387(6) 0.039(4) Uani 1 1 d . . . . .
H4 H 0.8901 0.5449 0.5253 0.047 Uiso 1 1 calc R U . . .
C5 C 0.8343(13) 0.6864(9) 0.5010(6) 0.029(3) Uani 1 1 d . . . . .
C6 C 0.7349(14) 0.6645(10) 0.4394(6) 0.032(3) Uani 1 1 d . . . . .
C7 C 0.7113(13) 0.5691(10) 0.4144(5) 0.028(3) Uani 1 1 d . . . . .
H7 H 0.7597 0.5160 0.4368 0.034 Uiso 1 1 calc R U . . .
C8 C 0.6170(13) 0.5506(10) 0.3566(6) 0.032(3) Uani 1 1 d . . . . .
C9 C 0.5443(13) 0.6338(10) 0.3271(6) 0.033(3) Uani 1 1 d . . . . .
H9 H 0.4790 0.6261 0.2888 0.040 Uiso 1 1 calc R U . . .
C10 C 0.5686(13) 0.7278(10) 0.3542(6) 0.031(3) Uani 1 1 d . . . . .
C11 C 0.4780(13) 0.8161(11) 0.3285(6) 0.035(4) Uani 1 1 d . . . . .
C12 C 0.3775(16) 0.8128(12) 0.2726(7) 0.060(5) Uani 1 1 d . . . . .
H12 H 0.3697 0.7561 0.2467 0.072 Uiso 1 1 calc R U . . .
C13 C 0.2887(16) 0.8936(13) 0.2553(7) 0.062(5) Uani 1 1 d . . . . .
H13 H 0.2248 0.8922 0.2163 0.074 Uiso 1 1 calc R U . . .
C14 C 0.2921(15) 0.9741(13) 0.2931(7) 0.053(4) Uani 1 1 d . . . . .
H14 H 0.2291 1.0280 0.2833 0.063 Uiso 1 1 calc R U . . .
C15 C 0.3967(14) 0.9712(12) 0.3481(7) 0.045(4) Uani 1 1 d . . . . .
H15 H 0.4042 1.0273 0.3745 0.054 Uiso 1 1 calc R U . . .
C16 C 0.5898(13) 0.4473(10) 0.3334(6) 0.031(3) Uani 1 1 d . . . . .
C17 C 0.5244(14) 0.3848(10) 0.3735(6) 0.038(4) Uani 1 1 d . . . . .
H17 H 0.4930 0.4088 0.4116 0.045 Uiso 1 1 calc R U . . .
C18 C 0.5055(15) 0.2857(12) 0.3567(7) 0.046(4) Uani 1 1 d . . . . .
H18 H 0.4616 0.2431 0.3839 0.056 Uiso 1 1 calc R U . . .
C19 C 0.5508(16) 0.2492(13) 0.3004(8) 0.054(4) Uani 1 1 d . . . . .
H19 H 0.5376 0.1823 0.2899 0.064 Uiso 1 1 calc R U . . .
C20 C 0.6159(15) 0.3118(11) 0.2593(7) 0.041(4) Uani 1 1 d . . . . .
H20 H 0.6483 0.2868 0.2217 0.049 Uiso 1 1 calc R U . . .
C21 C 0.6329(12) 0.4124(10) 0.2744(6) 0.028(3) Uani 1 1 d . . . . .
C22 C 0.5949(13) 1.1290(9) 0.4821(6) 0.024(3) Uani 1 1 d . . . . .
C23 C 0.6907(13) 1.2024(10) 0.5234(6) 0.029(3) Uani 1 1 d . . . . .
C24 C 0.6397(14) 1.2970(11) 0.5315(7) 0.037(4) Uani 1 1 d . . . . .
H24 H 0.5479 1.3151 0.5095 0.044 Uiso 1 1 calc R U . . .
C25 C 0.7191(16) 1.3660(11) 0.5708(8) 0.050(4) Uani 1 1 d . . . . .
H25 H 0.6806 1.4294 0.5750 0.060 Uiso 1 1 calc R U . . .
C26 C 0.8562(17) 1.3414(13) 0.6043(7) 0.057(5) Uani 1 1 d . . . . .
H26 H 0.9106 1.3870 0.6315 0.068 Uiso 1 1 calc R U . . .
C27 C 0.9101(14) 1.2458(13) 0.5959(7) 0.042(4) Uani 1 1 d . . . . .
H27 H 1.0035 1.2288 0.6168 0.051 Uiso 1 1 calc R U . . .
C28 C 0.8286(13) 1.1750(10) 0.5572(5) 0.024(3) Uani 1 1 d . . . . .
C29 C 0.8923(13) 1.0742(11) 0.5523(5) 0.028(3) 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
Dy1 O7 2.258(8) 3_776 ?
Dy1 O4 2.286(9) . ?
Dy1 O5 2.326(8) 3_676 ?
Dy1 O6 2.325(9) . ?
Dy1 O1 2.382(8) 2_655 ?
Dy1 N2 2.501(10) . ?
Dy1 N3 2.534(9) . ?
Dy1 N1 2.547(10) . ?
S1 O2 1.439(10) . ?
S1 O3 1.450(10) . ?
S1 O1 1.470(9) . ?
S1 C21 1.784(13) . ?
N1 C5 1.337(15) . ?
N1 C1 1.376(14) . ?
N2 C6 1.358(15) . ?
N2 C10 1.361(14) . ?
N3 C15 1.329(16) . ?
N3 C11 1.339(15) . ?
O1 Dy1 2.381(8) 2_645 ?
O4 C22 1.264(14) . ?
O5 C22 1.271(13) . ?
O5 Dy1 2.325(8) 3_676 ?
O6 C29 1.266(15) . ?
O7 C29 1.277(13) . ?
O7 Dy1 2.258(8) 3_776 ?
C1 C2 1.374(18) . ?
C1 H1 0.9300 . ?
C2 C3 1.372(19) . ?
C2 H2 0.9300 . ?
C3 C4 1.393(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.387(16) . ?
C4 H4 0.9300 . ?
C5 C6 1.492(17) . ?
C6 C7 1.390(16) . ?
C7 C8 1.399(15) . ?
C7 H7 0.9300 . ?
C8 C9 1.400(16) . ?
C8 C16 1.481(17) . ?
C9 C10 1.390(17) . ?
C9 H9 0.9300 . ?
C10 C11 1.504(18) . ?
C11 C12 1.377(17) . ?
C12 C13 1.374(19) . ?
C12 H12 0.9300 . ?
C13 C14 1.34(2) . ?
C13 H13 0.9300 . ?
C14 C15 1.384(17) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.371(17) . ?
C16 C21 1.411(16) . ?
C17 C18 1.384(18) . ?
C17 H17 0.9300 . ?
C18 C19 1.376(19) . ?
C18 H18 0.9300 . ?
C19 C20 1.38(2) . ?
C19 H19 0.9300 . ?
C20 C21 1.393(18) . ?
C20 H20 0.9300 . ?
C22 C23 1.506(16) . ?
C23 C24 1.373(16) . ?
C23 C28 1.402(16) . ?
C24 C25 1.376(18) . ?
C24 H24 0.9300 . ?
C25 C26 1.385(19) . ?
C25 H25 0.9300 . ?
C26 C27 1.40(2) . ?
C26 H26 0.9300 . ?
C27 C28 1.394(18) . ?
C27 H27 0.9300 . ?
C28 C29 1.484(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
O7 Dy1 O4 100.2(3) 3_776 . ?
O7 Dy1 O5 147.7(3) 3_776 3_676 ?
O4 Dy1 O5 93.3(3) . 3_676 ?
O7 Dy1 O6 78.8(3) 3_776 . ?
O4 Dy1 O6 70.1(3) . . ?
O5 Dy1 O6 78.4(3) 3_676 . ?
O7 Dy1 O1 70.5(3) 3_776 2_655 ?
O4 Dy1 O1 87.4(3) . 2_655 ?
O5 Dy1 O1 139.9(3) 3_676 2_655 ?
O6 Dy1 O1 137.9(3) . 2_655 ?
O7 Dy1 N2 103.6(3) 3_776 . ?
O4 Dy1 N2 146.0(3) . . ?
O5 Dy1 N2 79.3(3) 3_676 . ?
O6 Dy1 N2 138.3(3) . . ?
O1 Dy1 N2 78.1(3) 2_655 . ?
O7 Dy1 N3 136.2(3) 3_776 . ?
O4 Dy1 N3 81.5(3) . . ?
O5 Dy1 N3 74.6(3) 3_676 . ?
O6 Dy1 N3 139.3(3) . . ?
O1 Dy1 N3 65.8(3) 2_655 . ?
N2 Dy1 N3 64.5(3) . . ?
O7 Dy1 N1 74.5(3) 3_776 . ?
O4 Dy1 N1 147.1(3) . . ?
O5 Dy1 N1 78.3(3) 3_676 . ?
O6 Dy1 N1 77.0(3) . . ?
O1 Dy1 N1 119.4(3) 2_655 . ?
N2 Dy1 N1 64.1(3) . . ?
N3 Dy1 N1 125.1(3) . . ?
O2 S1 O3 114.3(7) . . ?
O2 S1 O1 112.1(5) . . ?
O3 S1 O1 113.7(6) . . ?
O2 S1 C21 106.8(6) . . ?
O3 S1 C21 104.4(6) . . ?
O1 S1 C21 104.5(6) . . ?
C5 N1 C1 117.1(11) . . ?
C5 N1 Dy1 121.1(8) . . ?
C1 N1 Dy1 121.9(9) . . ?
C6 N2 C10 117.8(11) . . ?
C6 N2 Dy1 122.4(8) . . ?
C10 N2 Dy1 119.8(8) . . ?
C15 N3 C11 116.4(11) . . ?
C15 N3 Dy1 122.8(8) . . ?
C11 N3 Dy1 117.6(8) . . ?
S1 O1 Dy1 147.1(6) . 2_645 ?
C22 O4 Dy1 125.4(8) . . ?
C22 O5 Dy1 149.3(7) . 3_676 ?
C29 O6 Dy1 128.7(7) . . ?
C29 O7 Dy1 162.3(9) . 3_776 ?
C2 C1 N1 122.6(14) . . ?
C2 C1 H1 118.7 . . ?
N1 C1 H1 118.7 . . ?
C3 C2 C1 120.2(14) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C2 C3 C4 117.4(14) . . ?
C2 C3 H3 121.3 . . ?
C4 C3 H3 121.3 . . ?
C5 C4 C3 120.4(14) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
N1 C5 C4 122.3(12) . . ?
N1 C5 C6 116.6(11) . . ?
C4 C5 C6 121.1(12) . . ?
N2 C6 C7 121.2(12) . . ?
N2 C6 C5 115.6(12) . . ?
C7 C6 C5 123.1(12) . . ?
C6 C7 C8 122.0(12) . . ?
C6 C7 H7 119.0 . . ?
C8 C7 H7 119.0 . . ?
C9 C8 C7 115.5(12) . . ?
C9 C8 C16 124.1(11) . . ?
C7 C8 C16 120.1(12) . . ?
C10 C9 C8 120.8(12) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
N2 C10 C9 122.4(12) . . ?
N2 C10 C11 115.6(11) . . ?
C9 C10 C11 121.8(11) . . ?
N3 C11 C12 120.7(13) . . ?
N3 C11 C10 116.0(11) . . ?
C12 C11 C10 122.9(13) . . ?
C11 C12 C13 119.7(15) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C14 C13 C12 121.5(13) . . ?
C14 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
C13 C14 C15 114.7(14) . . ?
C13 C14 H14 122.6 . . ?
C15 C14 H14 122.6 . . ?
N3 C15 C14 126.8(14) . . ?
N3 C15 H15 116.6 . . ?
C14 C15 H15 116.6 . . ?
C17 C16 C21 120.7(13) . . ?
C17 C16 C8 116.6(12) . . ?
C21 C16 C8 122.7(12) . . ?
C16 C17 C18 119.3(13) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C19 C18 C17 121.0(15) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C20 120.1(16) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C19 C20 C21 119.8(14) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C20 C21 C16 118.9(12) . . ?
C20 C21 S1 119.5(10) . . ?
C16 C21 S1 121.6(11) . . ?
O4 C22 O5 123.2(11) . . ?
O4 C22 C23 119.3(11) . . ?
O5 C22 C23 117.2(11) . . ?
C24 C23 C28 118.5(12) . . ?
C24 C23 C22 119.9(11) . . ?
C28 C23 C22 121.5(11) . . ?
C23 C24 C25 122.7(13) . . ?
C23 C24 H24 118.7 . . ?
C25 C24 H24 118.7 . . ?
C24 C25 C26 120.1(14) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C27 C26 C25 117.8(14) . . ?
C27 C26 H26 121.1 . . ?
C25 C26 H26 121.1 . . ?
C28 C27 C26 122.2(13) . . ?
C28 C27 H27 118.9 . . ?
C26 C27 H27 118.9 . . ?
C27 C28 C23 118.6(12) . . ?
C27 C28 C29 118.8(11) . . ?
C23 C28 C29 122.6(11) . . ?
O6 C29 O7 122.5(13) . . ?
O6 C29 C28 118.4(10) . . ?
O7 C29 C28 119.0(13) . . ?

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
O2 S1 O1 Dy1 41.3(11) . . . 2_645 ?
O3 S1 O1 Dy1 -90.2(10) . . . 2_645 ?
C21 S1 O1 Dy1 156.6(8) . . . 2_645 ?
C5 N1 C1 C2 0.4(19) . . . . ?
Dy1 N1 C1 C2 -178.6(10) . . . . ?
N1 C1 C2 C3 -3(2) . . . . ?
C1 C2 C3 C4 4(2) . . . . ?
C2 C3 C4 C5 -4(2) . . . . ?
C1 N1 C5 C4 0.6(18) . . . . ?
Dy1 N1 C5 C4 179.6(9) . . . . ?
C1 N1 C5 C6 -179.0(11) . . . . ?
Dy1 N1 C5 C6 0.0(15) . . . . ?
C3 C4 C5 N1 1(2) . . . . ?
C3 C4 C5 C6 -179.4(13) . . . . ?
C10 N2 C6 C7 5.0(17) . . . . ?
Dy1 N2 C6 C7 -174.8(9) . . . . ?
C10 N2 C6 C5 -175.6(10) . . . . ?
Dy1 N2 C6 C5 4.6(14) . . . . ?
N1 C5 C6 N2 -2.9(16) . . . . ?
C4 C5 C6 N2 177.5(11) . . . . ?
N1 C5 C6 C7 176.6(11) . . . . ?
C4 C5 C6 C7 -3.0(19) . . . . ?
N2 C6 C7 C8 -0.8(19) . . . . ?
C5 C6 C7 C8 179.8(11) . . . . ?
C6 C7 C8 C9 -2.2(18) . . . . ?
C6 C7 C8 C16 -177.2(11) . . . . ?
C7 C8 C9 C10 0.9(18) . . . . ?
C16 C8 C9 C10 175.7(12) . . . . ?
C6 N2 C10 C9 -6.3(17) . . . . ?
Dy1 N2 C10 C9 173.5(9) . . . . ?
C6 N2 C10 C11 169.4(10) . . . . ?
Dy1 N2 C10 C11 -10.8(14) . . . . ?
C8 C9 C10 N2 3.3(19) . . . . ?
C8 C9 C10 C11 -172.0(11) . . . . ?
C15 N3 C11 C12 0(2) . . . . ?
Dy1 N3 C11 C12 -160.9(11) . . . . ?
C15 N3 C11 C10 -173.3(11) . . . . ?
Dy1 N3 C11 C10 26.3(14) . . . . ?
N2 C10 C11 N3 -10.4(16) . . . . ?
C9 C10 C11 N3 165.2(12) . . . . ?
N2 C10 C11 C12 176.9(13) . . . . ?
C9 C10 C11 C12 -7(2) . . . . ?
N3 C11 C12 C13 2(2) . . . . ?
C10 C11 C12 C13 174.0(14) . . . . ?
C11 C12 C13 C14 -3(3) . . . . ?
C12 C13 C14 C15 4(3) . . . . ?
C11 N3 C15 C14 1(2) . . . . ?
Dy1 N3 C15 C14 160.2(12) . . . . ?
C13 C14 C15 N3 -2(2) . . . . ?
C9 C8 C16 C17 -112.8(15) . . . . ?
C7 C8 C16 C17 61.8(16) . . . . ?
C9 C8 C16 C21 69.5(17) . . . . ?
C7 C8 C16 C21 -116.0(14) . . . . ?
C21 C16 C17 C18 2(2) . . . . ?
C8 C16 C17 C18 -175.5(12) . . . . ?
C16 C17 C18 C19 0(2) . . . . ?
C17 C18 C19 C20 0(2) . . . . ?
C18 C19 C20 C21 -1(2) . . . . ?
C19 C20 C21 C16 3.2(19) . . . . ?
C19 C20 C21 S1 -179.4(10) . . . . ?
C17 C16 C21 C20 -3.8(18) . . . . ?
C8 C16 C21 C20 173.9(12) . . . . ?
C17 C16 C21 S1 178.9(10) . . . . ?
C8 C16 C21 S1 -3.4(16) . . . . ?
O2 S1 C21 C20 122.1(10) . . . . ?
O3 S1 C21 C20 -116.5(11) . . . . ?
O1 S1 C21 C20 3.2(11) . . . . ?
O2 S1 C21 C16 -60.6(11) . . . . ?
O3 S1 C21 C16 60.8(11) . . . . ?
O1 S1 C21 C16 -179.5(9) . . . . ?
Dy1 O4 C22 O5 -83.0(12) . . . . ?
Dy1 O4 C22 C23 103.1(11) . . . . ?
Dy1 O5 C22 O4 115.2(15) 3_676 . . . ?
Dy1 O5 C22 C23 -70.8(18) 3_676 . . . ?
O4 C22 C23 C24 130.2(13) . . . . ?
O5 C22 C23 C24 -44.1(17) . . . . ?
O4 C22 C23 C28 -53.5(17) . . . . ?
O5 C22 C23 C28 132.3(12) . . . . ?
C28 C23 C24 C25 1(2) . . . . ?
C22 C23 C24 C25 177.1(12) . . . . ?
C23 C24 C25 C26 0(2) . . . . ?
C24 C25 C26 C27 1(2) . . . . ?
C25 C26 C27 C28 -2(2) . . . . ?
C26 C27 C28 C23 3(2) . . . . ?
C26 C27 C28 C29 -178.3(13) . . . . ?
C24 C23 C28 C27 -2.0(18) . . . . ?
C22 C23 C28 C27 -178.4(11) . . . . ?
C24 C23 C28 C29 179.3(11) . . . . ?
C22 C23 C28 C29 2.9(18) . . . . ?
Dy1 O6 C29 O7 -84.5(13) . . . . ?
Dy1 O6 C29 C28 99.8(11) . . . . ?
Dy1 O7 C29 O6 131(3) 3_776 . . . ?
Dy1 O7 C29 C28 -53(3) 3_776 . . . ?
C27 C28 C29 O6 149.9(11) . . . . ?
C23 C28 C29 O6 -31.3(17) . . . . ?
C27 C28 C29 O7 -25.9(16) . . . . ?
C23 C28 C29 O7 152.8(11) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C15 H15 O4 0.93 2.54 3.134(15) 121.8 .
C9 H9 O2 0.93 2.42 2.880(16) 110.7 .
C1 H1 O6 0.93 2.37 2.993(17) 123.8 .

_refine_diff_density_max         1.186
_refine_diff_density_min         -1.026
_refine_diff_density_rms         0.208

