# 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 
# this file and to allow appropriate attribution of the data. 
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data_aaa
_database_code_depnum_ccdc_archive 'CCDC 1862728'
_audit_update_record             
;
2018-08-19 deposited with the CCDC.
2018-10-11 downloaded from the CCDC.
;
_audit_creation_date             2018-08-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H19 Eu N2 O8 S2, H2 O'
_chemical_formula_sum            'C28 H21 Eu N2 O9 S2'
_chemical_formula_weight         745.55
_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'
Eu Eu -0.1578 3.6682 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   14.249(4)
_cell_length_b                   12.490(4)
_cell_length_c                   15.997(4)
_cell_angle_alpha                90
_cell_angle_beta                 109.471(8)
_cell_angle_gamma                90
_cell_volume                     2684.1(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9811
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.44
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   0.784
_shelx_estimated_absorpt_T_min   0.701
_exptl_absorpt_coefficient_mu    2.553
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6168
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1025 before and 0.0546 after correction. The Ratio of minimum to maximum transmission is 0.8277. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.845
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            48232
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.339
_diffrn_reflns_theta_min         2.327
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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                4394
_reflns_number_total             4889
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.795
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4889
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0215
_refine_ls_restrained_S_all      1.109
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0209P)²+3.8147P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0508
_refine_ls_wR_factor_ref         0.0530
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O1W) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
3.a Riding coordinates:
 O1W(H1WA,H1WB)
3.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C23(H23A,H23B)
3.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C3(H3), C5(H5), C8(H8), C11(H11), C12(H12), C13(H13), C14(H14),
 C17(H17), C19(H19), C22(H22), C25(H25), C26(H26), C27(H27), C28(H28)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Eu1 Eu 0.33762(2) 0.50627(2) 0.44475(2) 0.01746(5) Uani 1 1 d . . . . .
S1 S 0.26248(7) 0.39628(7) 0.77436(6) 0.0416(2) Uani 1 1 d . . . . .
S2 S 0.40010(7) 0.58811(7) 0.97123(6) 0.0396(2) Uani 1 1 d . . . . .
O1 O 0.40688(14) 0.35576(16) 0.53464(12) 0.0265(5) Uani 1 1 d . . . . .
O2 O 0.57205(15) 0.34161(16) 0.56878(13) 0.0265(4) Uani 1 1 d . . . . .
O3 O 0.68470(15) 0.09479(18) 0.93758(13) 0.0329(5) Uani 1 1 d . . . . .
O4 O 0.75171(15) 0.12652(18) 0.83434(13) 0.0320(5) Uani 1 1 d . . . . .
O5 O 0.38172(15) 0.56712(17) 0.59319(12) 0.0292(5) Uani 1 1 d . . . . .
O6 O 0.54499(16) 0.55430(17) 0.62028(14) 0.0313(5) Uani 1 1 d . . . . .
O7 O 0.71079(15) 0.89279(17) 0.81669(13) 0.0302(5) Uani 1 1 d . . . . .
O8 O 0.71282(16) 0.85845(17) 0.95200(13) 0.0311(5) Uani 1 1 d . . . . .
N2 N 0.2130(3) 0.5812(3) 1.1448(2) 0.0530(9) Uani 1 1 d . . . . .
H2 H 0.1804 0.5818 1.1814 0.064 Uiso 1 1 calc R . . . .
N3 N 0.0267(3) 0.4255(3) 0.9067(3) 0.0785(13) Uani 1 1 d . . . . .
C1 C 0.4930(2) 0.3334(2) 0.58730(18) 0.0220(6) Uani 1 1 d . . . . .
C2 C 0.5007(2) 0.2933(2) 0.67776(18) 0.0239(6) Uani 1 1 d . . . . .
C3 C 0.4232(2) 0.3112(2) 0.71085(19) 0.0286(7) Uani 1 1 d . . . . .
H3 H 0.3664 0.3469 0.6761 0.034 Uiso 1 1 calc R . . . .
C4 C 0.4298(2) 0.2762(3) 0.7953(2) 0.0308(7) Uani 1 1 d . . . . .
C5 C 0.5142(2) 0.2189(2) 0.84496(19) 0.0289(7) Uani 1 1 d . . . . .
H5 H 0.5184 0.1925 0.9005 0.035 Uiso 1 1 calc R . . . .
C6 C 0.5917(2) 0.2010(2) 0.81259(19) 0.0251(6) Uani 1 1 d . . . . .
C7 C 0.6814(2) 0.1373(2) 0.86528(19) 0.0250(6) Uani 1 1 d . . . . .
C8 C 0.5862(2) 0.2404(2) 0.72951(19) 0.0247(6) Uani 1 1 d . . . . .
H8 H 0.6394 0.2314 0.7088 0.030 Uiso 1 1 calc R . . . .
C9 C 0.3492(2) 0.2959(3) 0.8361(2) 0.0411(8) Uani 1 1 d . . . . .
H9A H 0.3795 0.3195 0.8970 0.049 Uiso 1 1 calc R . . . .
H9B H 0.3138 0.2297 0.8365 0.049 Uiso 1 1 calc R . . . .
C10 C 0.1774(2) 0.4052(3) 0.8313(2) 0.0346(7) Uani 1 1 d . . . . .
C11 C 0.0966(3) 0.4735(3) 0.7953(3) 0.0544(10) Uani 1 1 d . . . . .
H11 H 0.0915 0.5142 0.7453 0.065 Uiso 1 1 calc R . . . .
C12 C 0.0246(3) 0.4798(4) 0.8349(4) 0.0753(16) Uani 1 1 d . . . . .
H12 H -0.0291 0.5252 0.8096 0.090 Uiso 1 1 calc R . . . .
C13 C 0.1055(3) 0.3619(3) 0.9414(3) 0.0617(12) Uani 1 1 d . . . . .
H13 H 0.1092 0.3236 0.9923 0.074 Uiso 1 1 calc R . . . .
C14 C 0.1819(3) 0.3490(3) 0.9074(2) 0.0442(9) Uani 1 1 d . . . . .
H14 H 0.2351 0.3038 0.9348 0.053 Uiso 1 1 calc R . . . .
C15 C 0.4707(2) 0.5858(2) 0.63923(17) 0.0208(6) Uani 1 1 d . . . . .
C16 C 0.4879(2) 0.6500(2) 0.72257(17) 0.0195(6) Uani 1 1 d . . . . .
C17 C 0.4175(2) 0.6469(2) 0.76541(18) 0.0223(6) Uani 1 1 d . . . . .
H17 H 0.3600 0.6063 0.7415 0.027 Uiso 1 1 calc R . . . .
C18 C 0.4320(2) 0.7038(2) 0.84380(18) 0.0236(6) Uani 1 1 d . . . . .
C19 C 0.5175(2) 0.7653(2) 0.87809(18) 0.0254(6) Uani 1 1 d . . . . .
H19 H 0.5287 0.8020 0.9311 0.031 Uiso 1 1 calc R . . . .
C20 C 0.5870(2) 0.7727(2) 0.83373(18) 0.0229(6) Uani 1 1 d . . . . .
C21 C 0.6754(2) 0.8454(2) 0.86949(18) 0.0225(6) Uani 1 1 d . . . . .
C22 C 0.5722(2) 0.7139(2) 0.75620(17) 0.0207(6) Uani 1 1 d . . . . .
H22 H 0.6187 0.7175 0.7270 0.025 Uiso 1 1 calc R . . . .
C23 C 0.3565(2) 0.6954(2) 0.89119(19) 0.0275(7) Uani 1 1 d . . . . .
H23A H 0.2911 0.6789 0.8496 0.033 Uiso 1 1 calc R . . . .
H23B H 0.3527 0.7622 0.9209 0.033 Uiso 1 1 calc R . . . .
C24 C 0.3197(2) 0.5865(2) 1.03201(19) 0.0285(7) Uani 1 1 d . . . . .
C25 C 0.2335(2) 0.6463(3) 1.0137(2) 0.0324(7) Uani 1 1 d . . . . .
H25 H 0.2114 0.6884 0.9630 0.039 Uiso 1 1 calc R . . . .
C26 C 0.1808(3) 0.6424(3) 1.0719(3) 0.0466(9) Uani 1 1 d . . . . .
H26 H 0.1228 0.6823 1.0605 0.056 Uiso 1 1 calc R . . . .
C27 C 0.2931(3) 0.5199(3) 1.1627(3) 0.0520(11) Uani 1 1 d . . . . .
H27 H 0.3118 0.4766 1.2128 0.062 Uiso 1 1 calc R . . . .
C28 C 0.3475(3) 0.5202(3) 1.1078(2) 0.0430(9) Uani 1 1 d . . . . .
H28 H 0.4034 0.4767 1.1200 0.052 Uiso 1 1 calc R . . . .
O1W O 0.6054(5) 0.9674(4) 1.0648(4) 0.159(2) Uani 1 1 d . U . . .
H1WA H 0.6515 0.9972 1.1070 0.238 Uiso 1 1 d R . . . .
H1WB H 0.6348 0.9358 1.0229 0.238 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Eu1 4.3716(13) 3_666 ?
Eu1 O1 2.373(2) . ?
Eu1 O2 2.345(2) 3_666 ?
Eu1 O3 2.487(2) 4_565 ?
Eu1 O4 2.435(2) 4_565 ?
Eu1 O5 2.3699(19) . ?
Eu1 O6 2.369(2) 3_666 ?
Eu1 O7 2.566(2) 4_575 ?
Eu1 O8 2.484(2) 4_575 ?
Eu1 C7 2.811(3) 4_565 ?
Eu1 C21 2.892(3) 4_575 ?
S1 C9 1.806(3) . ?
S1 C10 1.746(3) . ?
S2 C23 1.814(3) . ?
S2 C24 1.732(3) . ?
O1 C1 1.267(3) . ?
O2 Eu1 2.345(2) 3_666 ?
O2 C1 1.261(3) . ?
O3 Eu1 2.487(2) 4_666 ?
O3 C7 1.259(3) . ?
O4 Eu1 2.435(2) 4_666 ?
O4 C7 1.264(4) . ?
O5 C15 1.258(3) . ?
O6 Eu1 2.369(2) 3_666 ?
O6 C15 1.257(3) . ?
O7 Eu1 2.566(2) 4_676 ?
O7 C21 1.265(3) . ?
O8 Eu1 2.484(2) 4_676 ?
O8 C21 1.258(3) . ?
N2 C26 1.342(5) . ?
N2 C27 1.324(5) . ?
N3 C12 1.327(7) . ?
N3 C13 1.336(6) . ?
C1 C2 1.500(4) . ?
C2 C3 1.393(4) . ?
C2 C8 1.390(4) . ?
C3 C4 1.393(4) . ?
C4 C5 1.397(4) . ?
C4 C9 1.518(4) . ?
C5 C6 1.386(4) . ?
C6 C7 1.502(4) . ?
C6 C8 1.395(4) . ?
C7 Eu1 2.811(3) 4_666 ?
C10 C11 1.394(5) . ?
C10 C14 1.388(5) . ?
C11 C12 1.376(6) . ?
C13 C14 1.378(5) . ?
C15 C16 1.504(4) . ?
C16 C17 1.392(4) . ?
C16 C22 1.392(4) . ?
C17 C18 1.396(4) . ?
C18 C19 1.389(4) . ?
C18 C23 1.511(4) . ?
C19 C20 1.400(4) . ?
C20 C21 1.504(4) . ?
C20 C22 1.395(4) . ?
C21 Eu1 2.892(3) 4_676 ?
C24 C25 1.383(4) . ?
C24 C28 1.412(4) . ?
C25 C26 1.377(4) . ?
C27 C28 1.350(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Eu1 Eu1 63.65(5) . 3_666 ?
O1 Eu1 O3 78.87(7) . 4_565 ?
O1 Eu1 O4 84.66(8) . 4_565 ?
O1 Eu1 O7 155.94(7) . 4_575 ?
O1 Eu1 O8 132.09(7) . 4_575 ?
O1 Eu1 C7 82.83(8) . 4_565 ?
O1 Eu1 C21 150.79(7) . 4_575 ?
O2 Eu1 Eu1 61.75(5) 3_666 3_666 ?
O2 Eu1 O1 124.59(7) 3_666 . ?
O2 Eu1 O3 154.98(7) 3_666 4_565 ?
O2 Eu1 O4 130.07(7) 3_666 4_565 ?
O2 Eu1 O5 82.08(7) 3_666 . ?
O2 Eu1 O6 74.25(7) 3_666 3_666 ?
O2 Eu1 O7 77.90(7) 3_666 4_575 ?
O2 Eu1 O8 82.91(8) 3_666 4_575 ?
O2 Eu1 C7 148.38(8) 3_666 4_565 ?
O2 Eu1 C21 80.20(8) 3_666 4_575 ?
O3 Eu1 Eu1 142.51(5) 4_565 3_666 ?
O3 Eu1 O7 80.76(7) 4_565 4_575 ?
O3 Eu1 C7 26.61(7) 4_565 4_565 ?
O3 Eu1 C21 74.91(8) 4_565 4_575 ?
O4 Eu1 Eu1 118.52(5) 4_565 3_666 ?
O4 Eu1 O3 53.13(7) 4_565 4_565 ?
O4 Eu1 O7 72.87(8) 4_565 4_575 ?
O4 Eu1 O8 107.62(7) 4_565 4_575 ?
O4 Eu1 C7 26.66(7) 4_565 4_565 ?
O4 Eu1 C21 89.74(8) 4_565 4_575 ?
O5 Eu1 Eu1 73.44(5) . 3_666 ?
O5 Eu1 O1 74.28(7) . . ?
O5 Eu1 O3 98.31(7) . 4_565 ?
O5 Eu1 O4 147.85(7) . 4_565 ?
O5 Eu1 O7 121.56(7) . 4_575 ?
O5 Eu1 O8 71.93(7) . 4_575 ?
O5 Eu1 C7 124.29(8) . 4_565 ?
O5 Eu1 C21 96.89(8) . 4_575 ?
O6 Eu1 Eu1 50.13(5) 3_666 3_666 ?
O6 Eu1 O1 78.53(7) 3_666 . ?
O6 Eu1 O3 123.61(7) 3_666 4_565 ?
O6 Eu1 O4 73.85(7) 3_666 4_565 ?
O6 Eu1 O5 123.52(7) 3_666 . ?
O6 Eu1 O7 102.64(7) 3_666 4_575 ?
O6 Eu1 O8 149.22(7) 3_666 4_575 ?
O6 Eu1 C7 99.57(8) 3_666 4_565 ?
O6 Eu1 C21 127.22(8) 3_666 4_575 ?
O7 Eu1 Eu1 135.18(5) 4_575 3_666 ?
O7 Eu1 C7 73.24(8) 4_575 4_565 ?
O7 Eu1 C21 25.93(7) 4_575 4_575 ?
O8 Eu1 Eu1 133.11(5) 4_575 3_666 ?
O8 Eu1 O3 73.59(8) 4_575 4_565 ?
O8 Eu1 O7 51.56(6) 4_575 4_575 ?
O8 Eu1 C7 89.07(8) 4_575 4_565 ?
O8 Eu1 C21 25.66(7) 4_575 4_575 ?
C7 Eu1 Eu1 137.05(6) 4_565 3_666 ?
C7 Eu1 C21 79.51(9) 4_565 4_575 ?
C21 Eu1 Eu1 141.49(6) 4_575 3_666 ?
C10 S1 C9 103.09(16) . . ?
C24 S2 C23 105.65(14) . . ?
C1 O1 Eu1 133.87(18) . . ?
C1 O2 Eu1 130.45(18) . 3_666 ?
C7 O3 Eu1 91.16(17) . 4_666 ?
C7 O4 Eu1 93.50(17) . 4_666 ?
C15 O5 Eu1 121.65(18) . . ?
C15 O6 Eu1 168.56(19) . 3_666 ?
C21 O7 Eu1 91.60(16) . 4_676 ?
C21 O8 Eu1 95.64(17) . 4_676 ?
C27 N2 C26 122.5(3) . . ?
C12 N3 C13 115.8(4) . . ?
O1 C1 C2 117.3(3) . . ?
O2 C1 O1 124.7(3) . . ?
O2 C1 C2 118.0(2) . . ?
C3 C2 C1 120.0(3) . . ?
C8 C2 C1 120.1(3) . . ?
C8 C2 C3 119.9(3) . . ?
C2 C3 C4 120.9(3) . . ?
C3 C4 C5 118.6(3) . . ?
C3 C4 C9 123.4(3) . . ?
C5 C4 C9 118.0(3) . . ?
C6 C5 C4 120.9(3) . . ?
C5 C6 C7 120.7(3) . . ?
C5 C6 C8 120.0(3) . . ?
C8 C6 C7 119.3(3) . . ?
O3 C7 Eu1 62.23(15) . 4_666 ?
O3 C7 O4 121.5(3) . . ?
O3 C7 C6 120.2(3) . . ?
O4 C7 Eu1 59.83(15) . 4_666 ?
O4 C7 C6 118.3(3) . . ?
C6 C7 Eu1 171.3(2) . 4_666 ?
C2 C8 C6 119.7(3) . . ?
C4 C9 S1 110.8(2) . . ?
C11 C10 S1 116.4(3) . . ?
C14 C10 S1 126.1(3) . . ?
C14 C10 C11 117.5(3) . . ?
C12 C11 C10 118.9(4) . . ?
N3 C12 C11 124.4(4) . . ?
N3 C13 C14 124.8(4) . . ?
C13 C14 C10 118.4(4) . . ?
O5 C15 C16 116.9(2) . . ?
O6 C15 O5 124.5(3) . . ?
O6 C15 C16 118.6(2) . . ?
C17 C16 C15 119.3(2) . . ?
C17 C16 C22 119.8(2) . . ?
C22 C16 C15 120.9(2) . . ?
C16 C17 C18 120.9(3) . . ?
C17 C18 C23 119.9(3) . . ?
C19 C18 C17 118.9(3) . . ?
C19 C18 C23 121.1(3) . . ?
C18 C19 C20 120.8(3) . . ?
C19 C20 C21 119.5(2) . . ?
C22 C20 C19 119.6(3) . . ?
C22 C20 C21 121.0(3) . . ?
O7 C21 Eu1 62.47(14) . 4_676 ?
O7 C21 C20 119.9(2) . . ?
O8 C21 Eu1 58.71(15) . 4_676 ?
O8 C21 O7 121.1(3) . . ?
O8 C21 C20 119.0(3) . . ?
C20 C21 Eu1 175.9(2) . 4_676 ?
C16 C22 C20 120.0(3) . . ?
C18 C23 S2 105.8(2) . . ?
C25 C24 S2 125.6(2) . . ?
C25 C24 C28 118.2(3) . . ?
C28 C24 S2 116.1(3) . . ?
C26 C25 C24 119.0(3) . . ?
N2 C26 C25 120.2(3) . . ?
N2 C27 C28 119.9(3) . . ?
C27 C28 C24 120.2(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_dy
_database_code_depnum_ccdc_archive 'CCDC 1862729'
_audit_update_record             
;
2018-08-19 deposited with the CCDC.
2018-10-11 downloaded from the CCDC.
;
_audit_creation_date             2018-08-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H19 Dy N2 O8 S2, H2 O'
_chemical_formula_sum            'C28 H21 Dy N2 O9 S2'
_chemical_formula_weight         756.09
_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   14.1939(16)
_cell_length_b                   12.4831(14)
_cell_length_c                   15.9204(18)
_cell_angle_alpha                90
_cell_angle_beta                 109.934(2)
_cell_angle_gamma                90
_cell_volume                     2651.8(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3694
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      27.495
_cell_measurement_theta_min      2.722
_shelx_estimated_absorpt_T_max   0.793
_shelx_estimated_absorpt_T_min   0.712
_exptl_absorpt_coefficient_mu    3.037
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5350
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1025 before and 0.0546 after correction. The Ratio of minimum to maximum transmission is 0.8277. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1492
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_unetI/netI     0.0575
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14028
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         1.663
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4033
_reflns_number_total             5175
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.391
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.211
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5175
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      1.065
_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)+(0.0879P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1065
_refine_ls_wR_factor_ref         0.1421
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O1W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
3.a Riding coordinates:
 O1W(H1WA,H1WB)
3.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C23(H23A,H23B)
3.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C3(H3), C5(H5), C8(H8), C11(H11), C12(H12), C13(H13), C14(H14),
 C17(H17), C19(H19), C22(H22), C25(H25), C26(H26), C27(H27), C28(H28)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.33737(2) 0.50577(2) 0.44379(2) 0.01398(13) Uani 1 1 d . . . . .
S1 S 0.26197(14) 0.39743(16) 0.77441(14) 0.0388(5) Uani 1 1 d . . . . .
S2 S 0.40035(14) 0.58851(16) 0.96964(13) 0.0370(5) Uani 1 1 d . . . . .
O1 O 0.4062(3) 0.3582(4) 0.5326(3) 0.0241(10) Uani 1 1 d . . . . .
O2 O 0.5741(3) 0.3444(3) 0.5687(3) 0.0229(10) Uani 1 1 d . . . . .
O3 O 0.6860(3) 0.0935(4) 0.9385(3) 0.0285(11) Uani 1 1 d . . . . .
O4 O 0.7519(3) 0.1247(4) 0.8338(3) 0.0310(11) Uani 1 1 d . . . . .
O5 O 0.3817(3) 0.5654(4) 0.5902(3) 0.0233(10) Uani 1 1 d . . . . .
O6 O 0.5478(3) 0.5533(4) 0.6205(3) 0.0281(10) Uani 1 1 d . . . . .
O7 O 0.7115(3) 0.8948(4) 0.8152(3) 0.0268(10) Uani 1 1 d . . . . .
O8 O 0.7142(3) 0.8612(4) 0.9518(3) 0.0267(11) Uani 1 1 d . . . . .
N2 N 0.2134(5) 0.5806(5) 1.1448(5) 0.0470(18) Uani 1 1 d . . . . .
H2 H 0.1802 0.5801 1.1810 0.056 Uiso 1 1 calc R . . . .
N3 N 0.0291(6) 0.4245(7) 0.9108(7) 0.074(3) Uani 1 1 d . . . . .
C1 C 0.4926(4) 0.3354(5) 0.5856(4) 0.0194(13) Uani 1 1 d . . . . .
C2 C 0.5013(4) 0.2945(5) 0.6757(4) 0.0207(13) Uani 1 1 d . . . . .
C3 C 0.4237(5) 0.3143(5) 0.7112(5) 0.0269(15) Uani 1 1 d . . . . .
H3 H 0.3678 0.3535 0.6778 0.032 Uiso 1 1 calc R . . . .
C4 C 0.4296(5) 0.2761(6) 0.7949(5) 0.0287(15) Uani 1 1 d . . . . .
C5 C 0.5138(5) 0.2188(5) 0.8447(4) 0.0223(14) Uani 1 1 d . . . . .
H5 H 0.5181 0.1928 0.9006 0.027 Uiso 1 1 calc R . . . .
C6 C 0.5928(5) 0.1995(5) 0.8123(5) 0.0259(15) Uani 1 1 d . . . . .
C7 C 0.6825(5) 0.1359(5) 0.8666(4) 0.0211(13) Uani 1 1 d . . . . .
C8 C 0.5874(5) 0.2408(5) 0.7293(5) 0.0245(14) Uani 1 1 d . . . . .
H8 H 0.6415 0.2327 0.7095 0.029 Uiso 1 1 calc R . . . .
C9 C 0.3495(5) 0.2959(7) 0.8341(5) 0.0356(18) Uani 1 1 d . . . . .
H9A H 0.3803 0.3180 0.8959 0.043 Uiso 1 1 calc R . . . .
H9B H 0.3135 0.2297 0.8335 0.043 Uiso 1 1 calc R . . . .
C10 C 0.1783(5) 0.4051(6) 0.8318(5) 0.0342(17) Uani 1 1 d . . . . .
C11 C 0.0949(6) 0.4745(7) 0.7950(7) 0.045(2) Uani 1 1 d . . . . .
H11 H 0.0855 0.5133 0.7429 0.054 Uiso 1 1 calc R . . . .
C12 C 0.0281(8) 0.4804(8) 0.8420(9) 0.063(3) Uani 1 1 d . . . . .
H12 H -0.0232 0.5304 0.8215 0.075 Uiso 1 1 calc R . . . .
C13 C 0.1083(7) 0.3609(8) 0.9457(7) 0.059(3) Uani 1 1 d . . . . .
H13 H 0.1144 0.3231 0.9977 0.070 Uiso 1 1 calc R . . . .
C14 C 0.1828(6) 0.3490(6) 0.9067(6) 0.0424(19) Uani 1 1 d . . . . .
H14 H 0.2359 0.3023 0.9322 0.051 Uiso 1 1 calc R . . . .
C15 C 0.4717(4) 0.5851(5) 0.6389(4) 0.0164(12) Uani 1 1 d . . . . .
C16 C 0.4890(4) 0.6509(5) 0.7225(4) 0.0193(13) Uani 1 1 d . . . . .
C17 C 0.4174(4) 0.6472(5) 0.7626(4) 0.0178(12) Uani 1 1 d . . . . .
H17 H 0.3598 0.6063 0.7377 0.021 Uiso 1 1 calc R . . . .
C18 C 0.4312(5) 0.7051(5) 0.8411(4) 0.0198(13) Uani 1 1 d . . . . .
C19 C 0.5166(5) 0.7674(5) 0.8759(4) 0.0223(14) Uani 1 1 d . . . . .
H19 H 0.5262 0.8057 0.9283 0.027 Uiso 1 1 calc R . . . .
C20 C 0.5884(4) 0.7740(5) 0.8345(4) 0.0181(12) Uani 1 1 d . . . . .
C21 C 0.6774(4) 0.8474(5) 0.8700(4) 0.0181(13) Uani 1 1 d . . . . .
C22 C 0.5734(4) 0.7156(5) 0.7562(4) 0.0186(13) Uani 1 1 d . . . . .
H22 H 0.6196 0.7199 0.7267 0.022 Uiso 1 1 calc R . . . .
C23 C 0.3568(5) 0.6973(5) 0.8907(4) 0.0256(14) Uani 1 1 d . . . . .
H23A H 0.2900 0.6824 0.8493 0.031 Uiso 1 1 calc R . . . .
H23B H 0.3551 0.7638 0.9216 0.031 Uiso 1 1 calc R . . . .
C24 C 0.3206(5) 0.5876(5) 1.0306(4) 0.0252(14) Uani 1 1 d . . . . .
C25 C 0.2334(5) 0.6468(5) 1.0120(4) 0.0266(14) Uani 1 1 d . . . . .
H25 H 0.2100 0.6887 0.9607 0.032 Uiso 1 1 calc R . . . .
C26 C 0.1817(5) 0.6419(7) 1.0725(5) 0.041(2) Uani 1 1 d . . . . .
H26 H 0.1238 0.6825 1.0618 0.050 Uiso 1 1 calc R . . . .
C27 C 0.2935(8) 0.5210(7) 1.1626(7) 0.049(2) Uani 1 1 d . . . . .
H27 H 0.3124 0.4781 1.2134 0.058 Uiso 1 1 calc R . . . .
C28 C 0.3497(7) 0.5202(6) 1.1088(5) 0.0385(19) Uani 1 1 d . . . . .
H28 H 0.4061 0.4769 1.1221 0.046 Uiso 1 1 calc R . . . .
O1W O 0.6111(10) 0.9647(10) 1.0701(9) 0.148(4) Uani 1 1 d . U . . .
H1WA H 0.6572 0.9945 1.1124 0.222 Uiso 1 1 d R . . . .
H1WB H 0.6405 0.9331 1.0283 0.222 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.324(4) . ?
Dy1 O2 2.299(4) 3_666 ?
Dy1 O3 2.456(4) 4_565 ?
Dy1 O4 2.396(5) 4_565 ?
Dy1 O5 2.320(4) . ?
Dy1 O6 2.320(4) 3_666 ?
Dy1 O7 2.536(4) 4_575 ?
Dy1 O8 2.446(4) 4_575 ?
Dy1 C7 2.762(6) 4_565 ?
Dy1 C21 2.842(6) 4_575 ?
S1 C9 1.802(7) . ?
S1 C10 1.731(7) . ?
S2 C23 1.810(7) . ?
S2 C24 1.723(6) . ?
O1 C1 1.262(7) . ?
O2 Dy1 2.299(4) 3_666 ?
O2 C1 1.278(7) . ?
O3 Dy1 2.456(4) 4_666 ?
O3 C7 1.246(7) . ?
O4 Dy1 2.396(5) 4_666 ?
O4 C7 1.271(7) . ?
O5 C15 1.271(7) . ?
O6 Dy1 2.320(4) 3_666 ?
O6 C15 1.277(7) . ?
O7 Dy1 2.536(4) 4_676 ?
O7 C21 1.278(7) . ?
O8 Dy1 2.446(4) 4_676 ?
O8 C21 1.239(7) . ?
N2 C26 1.327(10) . ?
N2 C27 1.307(10) . ?
N3 C12 1.295(14) . ?
N3 C13 1.333(12) . ?
C1 C2 1.488(8) . ?
C2 C3 1.420(8) . ?
C2 C8 1.401(8) . ?
C3 C4 1.390(9) . ?
C4 C5 1.385(9) . ?
C4 C9 1.493(9) . ?
C5 C6 1.407(9) . ?
C6 C7 1.499(8) . ?
C6 C8 1.395(9) . ?
C7 Dy1 2.762(6) 4_666 ?
C10 C11 1.422(10) . ?
C10 C14 1.365(11) . ?
C11 C12 1.397(14) . ?
C13 C14 1.406(11) . ?
C15 C16 1.510(8) . ?
C16 C17 1.374(8) . ?
C16 C22 1.391(8) . ?
C17 C18 1.398(8) . ?
C18 C19 1.387(8) . ?
C18 C23 1.522(8) . ?
C19 C20 1.391(8) . ?
C20 C21 1.506(8) . ?
C20 C22 1.396(8) . ?
C21 Dy1 2.842(6) 4_676 ?
C24 C25 1.384(9) . ?
C24 C28 1.442(10) . ?
C25 C26 1.398(9) . ?
C27 C28 1.355(12) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O3 78.62(15) . 4_565 ?
O1 Dy1 O4 84.77(17) . 4_565 ?
O1 Dy1 O7 155.97(16) . 4_575 ?
O1 Dy1 O8 131.74(15) . 4_575 ?
O1 Dy1 C7 82.48(17) . 4_565 ?
O1 Dy1 C21 150.85(15) . 4_575 ?
O2 Dy1 O1 124.62(15) 3_666 . ?
O2 Dy1 O3 154.78(15) 3_666 4_565 ?
O2 Dy1 O4 130.17(16) 3_666 4_565 ?
O2 Dy1 O5 81.77(15) 3_666 . ?
O2 Dy1 O6 74.54(15) 3_666 3_666 ?
O2 Dy1 O7 77.71(15) 3_666 4_575 ?
O2 Dy1 O8 82.76(15) 3_666 4_575 ?
O2 Dy1 C7 149.08(17) 3_666 4_565 ?
O2 Dy1 C21 79.80(16) 3_666 4_575 ?
O3 Dy1 O7 81.50(15) 4_565 4_575 ?
O3 Dy1 C7 26.81(16) 4_565 4_565 ?
O3 Dy1 C21 75.22(17) 4_565 4_575 ?
O4 Dy1 O3 54.06(15) 4_565 4_565 ?
O4 Dy1 O7 72.62(17) 4_565 4_575 ?
O4 Dy1 O8 107.88(16) 4_565 4_575 ?
O4 Dy1 C7 27.36(16) 4_565 4_565 ?
O4 Dy1 C21 90.13(17) 4_565 4_575 ?
O5 Dy1 O1 74.30(15) . . ?
O5 Dy1 O3 97.53(15) . 4_565 ?
O5 Dy1 O4 148.06(16) . 4_565 ?
O5 Dy1 O7 121.95(15) . 4_575 ?
O5 Dy1 O8 71.55(14) . 4_575 ?
O5 Dy1 C7 123.68(17) . 4_565 ?
O5 Dy1 C21 96.50(16) . 4_575 ?
O6 Dy1 O1 78.67(16) 3_666 . ?
O6 Dy1 O3 124.20(16) 3_666 4_565 ?
O6 Dy1 O4 73.65(15) 3_666 4_565 ?
O6 Dy1 O5 123.65(15) 3_666 . ?
O6 Dy1 O7 101.94(16) 3_666 4_575 ?
O6 Dy1 O8 149.41(16) 3_666 4_575 ?
O6 Dy1 C7 99.95(17) 3_666 4_565 ?
O6 Dy1 C21 127.23(17) 3_666 4_575 ?
O7 Dy1 C7 73.72(17) 4_575 4_565 ?
O7 Dy1 C21 26.73(15) 4_575 4_575 ?
O8 Dy1 O3 73.25(16) 4_575 4_565 ?
O8 Dy1 O7 52.46(14) 4_575 4_575 ?
O8 Dy1 C7 89.04(18) 4_575 4_565 ?
O8 Dy1 C21 25.74(15) 4_575 4_575 ?
C7 Dy1 C21 80.0(2) 4_565 4_575 ?
C10 S1 C9 103.5(3) . . ?
C24 S2 C23 105.2(3) . . ?
C1 O1 Dy1 134.2(4) . . ?
C1 O2 Dy1 130.6(4) . 3_666 ?
C7 O3 Dy1 90.4(4) . 4_666 ?
C7 O4 Dy1 92.6(4) . 4_666 ?
C15 O5 Dy1 123.2(4) . . ?
C15 O6 Dy1 167.9(4) . 3_666 ?
C21 O7 Dy1 90.1(4) . 4_676 ?
C21 O8 Dy1 95.3(4) . 4_676 ?
C27 N2 C26 122.0(7) . . ?
C12 N3 C13 116.0(8) . . ?
O1 C1 O2 125.6(6) . . ?
O1 C1 C2 117.6(5) . . ?
O2 C1 C2 116.7(5) . . ?
C3 C2 C1 120.3(6) . . ?
C8 C2 C1 121.3(5) . . ?
C8 C2 C3 118.3(6) . . ?
C4 C3 C2 121.3(6) . . ?
C3 C4 C9 122.5(6) . . ?
C5 C4 C3 119.0(6) . . ?
C5 C4 C9 118.5(6) . . ?
C4 C5 C6 121.2(6) . . ?
C5 C6 C7 120.3(6) . . ?
C8 C6 C5 119.4(6) . . ?
C8 C6 C7 120.3(6) . . ?
O3 C7 Dy1 62.8(3) . 4_666 ?
O3 C7 O4 122.4(6) . . ?
O3 C7 C6 121.1(6) . . ?
O4 C7 Dy1 60.1(3) . 4_666 ?
O4 C7 C6 116.5(6) . . ?
C6 C7 Dy1 170.4(5) . 4_666 ?
C6 C8 C2 120.6(6) . . ?
C4 C9 S1 112.5(5) . . ?
C11 C10 S1 116.1(6) . . ?
C14 C10 S1 126.6(6) . . ?
C14 C10 C11 117.3(7) . . ?
C12 C11 C10 115.6(9) . . ?
N3 C12 C11 127.7(9) . . ?
N3 C13 C14 122.2(9) . . ?
C10 C14 C13 120.9(8) . . ?
O5 C15 O6 123.5(5) . . ?
O5 C15 C16 118.1(5) . . ?
O6 C15 C16 118.4(5) . . ?
C17 C16 C15 117.9(5) . . ?
C17 C16 C22 121.0(6) . . ?
C22 C16 C15 121.1(5) . . ?
C16 C17 C18 119.9(6) . . ?
C17 C18 C23 121.3(6) . . ?
C19 C18 C17 119.0(5) . . ?
C19 C18 C23 119.7(5) . . ?
C18 C19 C20 121.7(6) . . ?
C19 C20 C21 120.9(5) . . ?
C19 C20 C22 118.6(6) . . ?
C22 C20 C21 120.4(5) . . ?
O7 C21 Dy1 63.2(3) . 4_676 ?
O7 C21 C20 119.3(5) . . ?
O8 C21 Dy1 59.0(3) . 4_676 ?
O8 C21 O7 122.1(6) . . ?
O8 C21 C20 118.5(5) . . ?
C20 C21 Dy1 175.8(4) . 4_676 ?
C16 C22 C20 119.8(5) . . ?
C18 C23 S2 106.0(4) . . ?
C25 C24 S2 125.9(5) . . ?
C25 C24 C28 117.9(6) . . ?
C28 C24 S2 116.2(5) . . ?
C24 C25 C26 118.1(6) . . ?
N2 C26 C25 121.4(7) . . ?
N2 C27 C28 121.5(8) . . ?
C27 C28 C24 119.1(7) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
