# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1950517'
loop_
_audit_author_name
_audit_author_address
'Kevin Bernot'
;INSA Rennes
France
;
_audit_update_record             
;
2019-08-30 deposited with the CCDC.	2019-10-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C90 H94 Dy2 N12 O20 S6'
_chemical_formula_weight         2181.13

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   8.284(5)
_cell_length_b                   16.928(5)
_cell_length_c                   17.992(5)
_cell_angle_alpha                73.206(5)
_cell_angle_beta                 82.343(5)
_cell_angle_gamma                86.259(5)
_cell_volume                     2392.9(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9979
_cell_measurement_theta_min      1.191
_cell_measurement_theta_max      27.501

_exptl_crystal_description       prism
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_F_000             1106
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    1.754
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.494
_exptl_absorpt_correction_T_max  0.645
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  Bruker-AXS
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10852
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_av_R_equivalents  0.0
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.191
_diffrn_reflns_theta_max         27.501
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             10852
_reflns_number_gt                10230
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0405P)²+1.0347P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10852
_refine_ls_number_parameters     594
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0252
_refine_ls_R_factor_gt           0.0219
_refine_ls_wR_factor_ref         0.0786
_refine_ls_wR_factor_gt          0.0650
_refine_ls_goodness_of_fit_ref   1.189
_refine_ls_restrained_S_all      1.189
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.001

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 0.17628(2) 0.09745(2) 0.50570(2) 0.01374(5) Uani 1 1 d . . . . .
S2 S 0.37337(7) 0.05237(4) 0.67294(4) 0.02244(12) Uani 1 1 d . . . . .
S3 S 0.41985(10) -0.05306(6) 0.94291(5) 0.04219(19) Uani 1 1 d . . . . .
S4 S -0.14344(13) 0.19933(7) 0.84398(7) 0.0577(3) Uani 1 1 d . . . . .
O5 O 0.2814(2) 0.21974(11) 0.40946(10) 0.0223(4) Uani 1 1 d . . . . .
C1 C -0.5099(3) 0.29529(17) 0.53964(18) 0.0300(6) Uani 1 1 d . . . . .
H1 H -0.6111 0.2850 0.5280 0.036 Uiso 1 1 calc R U . . .
O7 O 0.43820(19) 0.10844(10) 0.41871(10) 0.0196(3) Uani 1 1 d . . . . .
O8 O -0.0861(2) -0.05811(11) 0.59179(10) 0.0204(3) Uani 1 1 d . . . . .
O9 O -0.0924(2) 0.15476(11) 0.49341(11) 0.0213(3) Uani 1 1 d . . . . .
O4 O 0.3666(2) 0.09623(11) 0.58665(10) 0.0227(4) Uani 1 1 d . . . . .
O1 O 0.0411(2) 0.03271(11) 0.62919(10) 0.0218(4) Uani 1 1 d . . . . .
O2 O 0.0526(2) 0.21099(11) 0.55761(11) 0.0218(4) Uani 1 1 d . . . . .
O3 O 0.2787(2) -0.03960(11) 0.52776(11) 0.0210(4) Uani 1 1 d . . . . .
C6 C 0.8518(4) 0.5545(2) -0.13247(18) 0.0394(7) Uani 1 1 d . . . . .
H6 H 0.8125 0.6044 -0.1631 0.047 Uiso 1 1 calc R U . . .
C5 C 0.9942(4) 0.5193(2) -0.15862(17) 0.0367(7) Uani 1 1 d . . . . .
H5 H 1.0514 0.5453 -0.2067 0.044 Uiso 1 1 calc R U . . .
C2 C 0.3274(4) 0.1311(2) 0.7204(2) 0.0427(8) Uani 1 1 d . . . . .
H2A H 0.3294 0.1079 0.7757 0.064 Uiso 1 1 calc R U . . .
H2B H 0.4069 0.1733 0.7007 0.064 Uiso 1 1 calc R U . . .
H2C H 0.2211 0.1547 0.7106 0.064 Uiso 1 1 calc R U . . .
C17 C -0.0826(3) -0.07876(15) 0.72765(13) 0.0166(4) Uani 1 1 d . . . . .
C18 C -1.0171(4) 0.62858(19) 0.62540(19) 0.0414(8) Uani 1 1 d . . . . .
H18 H -1.1029 0.6660 0.6294 0.050 Uiso 1 1 calc R U . . .
C19 C -0.9153(4) 0.50367(19) 0.5951(2) 0.0395(7) Uani 1 1 d . . . . .
H19 H -0.9320 0.4573 0.5796 0.047 Uiso 1 1 calc R U . . .
C20 C -1.0417(4) 0.5594(2) 0.6024(2) 0.0465(9) Uani 1 1 d . . . . .
H20 H -1.1446 0.5503 0.5917 0.056 Uiso 1 1 calc R U . . .
N4 N 0.7906(3) 0.34359(14) 0.10043(13) 0.0255(5) Uani 1 1 d . . . . .
C22 C -0.0388(3) -0.03179(14) 0.64322(13) 0.0161(4) Uani 1 1 d . . . . .
N3 N 0.7288(3) 0.40711(15) 0.05782(13) 0.0272(5) Uani 1 1 d . . . . .
C24 C 0.8252(3) 0.44180(17) -0.01500(15) 0.0252(5) Uani 1 1 d . . . . .
N6 N -0.6370(3) 0.41128(15) 0.57638(15) 0.0304(5) Uani 1 1 d . . . . .
C26 C -0.1614(3) -0.15350(16) 0.74756(14) 0.0215(5) Uani 1 1 d . . . . .
H26 H -0.1807 -0.1764 0.7085 0.026 Uiso 1 1 calc R U . . .
C27 C 0.5553(3) 0.34846(16) 0.20136(16) 0.0262(5) Uani 1 1 d . . . . .
H27 H 0.5233 0.4012 0.1735 0.031 Uiso 1 1 calc R U . . .
C28 C -0.3393(3) 0.37816(16) 0.58470(16) 0.0272(6) Uani 1 1 d . . . . .
H28 H -0.3272 0.4233 0.6030 0.033 Uiso 1 1 calc R U . . .
C29 C -0.2245(3) 0.25944(14) 0.54599(14) 0.0195(5) Uani 1 1 d . . . . .
C30 C -0.7622(3) 0.51855(17) 0.61160(15) 0.0277(6) Uani 1 1 d . . . . .
C31 C 0.5126(3) 0.22892(15) 0.31304(14) 0.0188(4) Uani 1 1 d . . . . .
N5 N -0.6173(3) 0.46884(14) 0.60369(13) 0.0286(5) Uani 1 1 d . . . . .
C33 C 0.4065(3) 0.18357(14) 0.38497(14) 0.0168(4) Uani 1 1 d . . . . .
C34 C -0.1798(3) -0.16015(17) 0.88357(14) 0.0244(5) Uani 1 1 d . . . . .
C35 C -0.0792(3) 0.20563(14) 0.53235(14) 0.0177(4) Uani 1 1 d . . . . .
N1 N -0.3312(3) -0.24989(15) 0.97890(13) 0.0297(5) Uani 1 1 d . . . . .
O91 O 0.5014(4) 0.0016(2) 0.86921(17) 0.0643(8) Uani 1 1 d . . . . .
C38 C 0.6527(3) 0.19072(16) 0.28557(15) 0.0221(5) Uani 1 1 d . . . . .
H38 H 0.6850 0.1381 0.3137 0.027 Uiso 1 1 calc R U . . .
C39 C 0.5849(3) 0.0375(2) 0.68112(17) 0.0334(6) Uani 1 1 d . . . . .
H39A H 0.6005 0.0098 0.7344 0.050 Uiso 1 1 calc R U . . .
H39B H 0.6328 0.0045 0.6481 0.050 Uiso 1 1 calc R U . . .
H39C H 0.6358 0.0900 0.6653 0.050 Uiso 1 1 calc R U . . .
C40 C -0.2065(3) 0.32678(16) 0.57398(15) 0.0243(5) Uani 1 1 d . . . . .
H40 H -0.1052 0.3372 0.5854 0.029 Uiso 1 1 calc R U . . .
C42 C 0.6934(3) 0.30940(16) 0.17297(14) 0.0220(5) Uani 1 1 d . . . . .
C43 C -0.4911(3) 0.36180(17) 0.56795(16) 0.0272(5) Uani 1 1 d . . . . .
C44 C -0.0493(3) -0.04593(16) 0.78671(14) 0.0223(5) Uani 1 1 d . . . . .
H44 H 0.0042 0.0037 0.7738 0.027 Uiso 1 1 calc R U . . .
C45 C 0.7439(3) 0.23166(16) 0.21586(15) 0.0236(5) Uani 1 1 d . . . . .
H45 H 0.8388 0.2069 0.1980 0.028 Uiso 1 1 calc R U . . .
C46 C -0.0958(3) -0.08709(18) 0.86428(15) 0.0266(5) Uani 1 1 d . . . . .
H46 H -0.0708 -0.0659 0.9036 0.032 Uiso 1 1 calc R U . . .
N2 N -0.2268(3) -0.19624(15) 0.96565(13) 0.0293(5) Uani 1 1 d . . . . .
C49 C 0.7666(4) 0.51619(19) -0.06065(18) 0.0362(7) Uani 1 1 d . . . . .
H49 H 0.6705 0.5403 -0.0431 0.043 Uiso 1 1 calc R U . . .
C50 C -0.2114(3) -0.19416(16) 0.82531(15) 0.0253(5) Uani 1 1 d . . . . .
H50 H -0.2654 -0.2436 0.8384 0.030 Uiso 1 1 calc R U . . .
C51 C -0.3749(4) -0.3123(2) 1.19795(17) 0.0369(7) Uani 1 1 d . . . . .
H51 H -0.3380 -0.2995 1.2396 0.044 Uiso 1 1 calc R U . . .
O90 O -0.0030(4) 0.1398(2) 0.8596(2) 0.0724(9) Uani 1 1 d . . . . .
C53 C -0.4882(4) -0.3513(2) 1.07495(17) 0.0346(6) Uani 1 1 d . . . . .
H53 H -0.5268 -0.3638 1.0336 0.041 Uiso 1 1 calc R U . . .
C55 C 0.4668(3) 0.30826(16) 0.27098(16) 0.0247(5) Uani 1 1 d . . . . .
H55 H 0.3753 0.3344 0.2902 0.030 Uiso 1 1 calc R U . . .
C56 C -0.3765(3) 0.24455(16) 0.52902(17) 0.0264(5) Uani 1 1 d . . . . .
H56 H -0.3887 0.1998 0.5103 0.032 Uiso 1 1 calc R U . . .
C58 C -0.8657(4) 0.64220(18) 0.64242(17) 0.0386(7) Uani 1 1 d . . . . .
H58 H -0.8497 0.6884 0.6583 0.046 Uiso 1 1 calc R U . . .
C59 C -0.3790(3) -0.28811(18) 1.06028(15) 0.0281(6) Uani 1 1 d . . . . .
C60 C 0.9689(4) 0.40578(19) -0.04126(17) 0.0324(6) Uani 1 1 d . . . . .
H60 H 1.0087 0.3559 -0.0109 0.039 Uiso 1 1 calc R U . . .
C61 C -0.4815(4) -0.3768(2) 1.21239(17) 0.0365(7) Uani 1 1 d . . . . .
H61 H -0.5137 -0.4074 1.2636 0.044 Uiso 1 1 calc R U . . .
C65 C 1.0520(4) 0.4451(2) -0.11313(18) 0.0402(7) Uani 1 1 d . . . . .
H65 H 1.1480 0.4213 -0.1311 0.048 Uiso 1 1 calc R U . . .
C66 C -0.7376(4) 0.58696(18) 0.63580(16) 0.0322(6) Uani 1 1 d . . . . .
H66 H -0.6355 0.5958 0.6475 0.039 Uiso 1 1 calc R U . . .
C68 C -0.3234(4) -0.26690(19) 1.12168(16) 0.0324(6) Uani 1 1 d . . . . .
H68 H -0.2534 -0.2233 1.1118 0.039 Uiso 1 1 calc R U . . .
C69 C 0.2338(4) -0.0005(2) 0.9667(2) 0.0466(8) Uani 1 1 d . . . . .
H69A H 0.1766 -0.0337 1.0143 0.070 Uiso 1 1 calc R U . . .
H69B H 0.2582 0.0514 0.9736 0.070 Uiso 1 1 calc R U . . .
H69C H 0.1671 0.0089 0.9251 0.070 Uiso 1 1 calc R U . . .
C72 C -0.5395(4) -0.3957(2) 1.15142(18) 0.0372(7) Uani 1 1 d . . . . .
H72 H -0.6127 -0.4379 1.1615 0.045 Uiso 1 1 calc R U . . .
C74 C -0.0668(6) 0.2908(3) 0.7747(3) 0.0703(13) Uani 1 1 d . . . . .
H74A H -0.1542 0.3309 0.7632 0.105 Uiso 1 1 calc R U . . .
H74B H 0.0146 0.3128 0.7959 0.105 Uiso 1 1 calc R U . . .
H74C H -0.0193 0.2783 0.7276 0.105 Uiso 1 1 calc R U . . .
C77 C 0.3318(5) -0.1329(3) 0.9174(3) 0.0688(13) Uani 1 1 d . . . . .
H77A H 0.2775 -0.1699 0.9636 0.103 Uiso 1 1 calc R U . . .
H77B H 0.2545 -0.1093 0.8812 0.103 Uiso 1 1 calc R U . . .
H77C H 0.4158 -0.1628 0.8936 0.103 Uiso 1 1 calc R U . . .
C78 C -0.2522(6) 0.1664(3) 0.7814(3) 0.0727(14) Uani 1 1 d . . . . .
H78A H -0.3449 0.2028 0.7692 0.109 Uiso 1 1 calc R U . . .
H78B H -0.1827 0.1671 0.7340 0.109 Uiso 1 1 calc R U . . .
H78C H -0.2884 0.1113 0.8067 0.109 Uiso 1 1 calc R U . . .
H3 H 0.363(4) -0.060(2) 0.5443(18) 0.025(8) Uiso 1 1 d . . . . .
H4 H 0.239(4) -0.078(2) 0.5213(19) 0.028(9) Uiso 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 O8 2.2731(18) 2_556 ?
Dy1 O4 2.2800(19) . ?
Dy1 O1 2.3413(18) . ?
Dy1 O3 2.3580(19) . ?
Dy1 O9 2.381(2) . ?
Dy1 O5 2.4090(18) . ?
Dy1 O2 2.4782(18) . ?
Dy1 O7 2.4842(19) . ?
Dy1 C35 2.792(2) . ?
Dy1 C33 2.813(2) . ?
S2 O4 1.5220(19) . ?
S2 C39 1.773(3) . ?
S2 C2 1.777(3) . ?
S3 O91 1.485(3) . ?
S3 C77 1.774(4) . ?
S3 C69 1.793(4) . ?
S4 O90 1.490(3) . ?
S4 C78 1.758(4) . ?
S4 C74 1.777(5) . ?
O5 C33 1.263(3) . ?
C1 C56 1.382(4) . ?
C1 C43 1.388(4) . ?
O7 C33 1.268(3) . ?
O8 C22 1.252(3) . ?
O8 Dy1 2.2730(18) 2_556 ?
O9 C35 1.275(3) . ?
O1 C22 1.259(3) . ?
O2 C35 1.256(3) . ?
C6 C5 1.376(5) . ?
C6 C49 1.386(4) . ?
C5 C65 1.381(5) . ?
C17 C26 1.392(3) . ?
C17 C44 1.398(3) . ?
C17 C22 1.505(3) . ?
C18 C58 1.378(5) . ?
C18 C20 1.386(5) . ?
C19 C20 1.381(4) . ?
C19 C30 1.395(5) . ?
N4 N3 1.250(3) . ?
N4 C42 1.425(3) . ?
N3 C24 1.427(3) . ?
C24 C49 1.387(4) . ?
C24 C60 1.391(4) . ?
N6 N5 1.239(3) . ?
N6 C43 1.441(3) . ?
C26 C50 1.389(4) . ?
C27 C55 1.378(4) . ?
C27 C42 1.395(4) . ?
C28 C40 1.385(4) . ?
C28 C43 1.394(4) . ?
C29 C56 1.390(4) . ?
C29 C40 1.396(4) . ?
C29 C35 1.499(3) . ?
C30 C66 1.385(4) . ?
C30 N5 1.436(3) . ?
C31 C38 1.394(3) . ?
C31 C55 1.394(3) . ?
C31 C33 1.499(3) . ?
C34 C46 1.391(4) . ?
C34 C50 1.393(4) . ?
C34 N2 1.436(3) . ?
N1 N2 1.245(3) . ?
N1 C59 1.432(3) . ?
C38 C45 1.392(3) . ?
C42 C45 1.389(4) . ?
C44 C46 1.383(4) . ?
C51 C68 1.390(4) . ?
C51 C61 1.393(5) . ?
C53 C72 1.388(4) . ?
C53 C59 1.390(4) . ?
C58 C66 1.384(4) . ?
C59 C68 1.395(4) . ?
C60 C65 1.383(4) . ?
C61 C72 1.378(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
O8 Dy1 O4 151.84(6) 2_556 . ?
O8 Dy1 O1 112.78(7) 2_556 . ?
O4 Dy1 O1 77.49(7) . . ?
O8 Dy1 O3 77.58(7) 2_556 . ?
O4 Dy1 O3 79.36(7) . . ?
O1 Dy1 O3 77.87(6) . . ?
O8 Dy1 O9 73.39(6) 2_556 . ?
O4 Dy1 O9 134.69(7) . . ?
O1 Dy1 O9 78.68(7) . . ?
O3 Dy1 O9 131.48(6) . . ?
O8 Dy1 O5 88.72(7) 2_556 . ?
O4 Dy1 O5 93.06(7) . . ?
O1 Dy1 O5 150.54(6) . . ?
O3 Dy1 O5 128.29(6) . . ?
O9 Dy1 O5 89.22(6) . . ?
O8 Dy1 O2 124.74(6) 2_556 . ?
O4 Dy1 O2 82.83(7) . . ?
O1 Dy1 O2 74.56(6) . . ?
O3 Dy1 O2 149.80(6) . . ?
O9 Dy1 O2 53.79(6) . . ?
O5 Dy1 O2 76.61(6) . . ?
O8 Dy1 O7 82.33(7) 2_556 . ?
O4 Dy1 O7 76.38(7) . . ?
O1 Dy1 O7 145.43(6) . . ?
O3 Dy1 O7 75.39(6) . . ?
O9 Dy1 O7 135.83(6) . . ?
O5 Dy1 O7 53.30(5) . . ?
O2 Dy1 O7 123.55(6) . . ?
O8 Dy1 C35 99.53(7) 2_556 . ?
O4 Dy1 C35 108.58(7) . . ?
O1 Dy1 C35 74.27(7) . . ?
O3 Dy1 C35 148.30(6) . . ?
O9 Dy1 C35 27.07(7) . . ?
O5 Dy1 C35 82.74(7) . . ?
O2 Dy1 C35 26.73(6) . . ?
O7 Dy1 C35 136.02(6) . . ?
O8 Dy1 C33 83.62(7) 2_556 . ?
O4 Dy1 C33 85.52(7) . . ?
O1 Dy1 C33 162.80(7) . . ?
O3 Dy1 C33 101.79(7) . . ?
O9 Dy1 C33 112.44(7) . . ?
O5 Dy1 C33 26.58(6) . . ?
O2 Dy1 C33 100.90(7) . . ?
O7 Dy1 C33 26.79(6) . . ?
C35 Dy1 C33 109.30(7) . . ?
O4 S2 C39 103.86(12) . . ?
O4 S2 C2 104.59(14) . . ?
C39 S2 C2 99.74(16) . . ?
O91 S3 C77 106.7(2) . . ?
O91 S3 C69 106.49(18) . . ?
C77 S3 C69 97.5(2) . . ?
O90 S4 C78 105.7(2) . . ?
O90 S4 C74 107.1(2) . . ?
C78 S4 C74 97.3(2) . . ?
C33 O5 Dy1 94.82(14) . . ?
C56 C1 C43 119.3(3) . . ?
C33 O7 Dy1 91.20(13) . . ?
C22 O8 Dy1 176.34(16) . 2_556 ?
C35 O9 Dy1 94.71(14) . . ?
S2 O4 Dy1 131.59(10) . . ?
C22 O1 Dy1 123.14(15) . . ?
C35 O2 Dy1 90.70(14) . . ?
C5 C6 C49 120.3(3) . . ?
C6 C5 C65 119.7(3) . . ?
C26 C17 C44 119.5(2) . . ?
C26 C17 C22 120.5(2) . . ?
C44 C17 C22 119.9(2) . . ?
C58 C18 C20 120.2(3) . . ?
C20 C19 C30 118.5(3) . . ?
C19 C20 C18 120.8(3) . . ?
N3 N4 C42 113.8(2) . . ?
O8 C22 O1 124.3(2) . . ?
O8 C22 C17 118.4(2) . . ?
O1 C22 C17 117.3(2) . . ?
N4 N3 C24 114.3(2) . . ?
C49 C24 C60 120.1(3) . . ?
C49 C24 N3 115.6(3) . . ?
C60 C24 N3 124.3(2) . . ?
N5 N6 C43 113.5(2) . . ?
C50 C26 C17 120.5(2) . . ?
C55 C27 C42 119.5(2) . . ?
C40 C28 C43 119.6(3) . . ?
C56 C29 C40 119.4(2) . . ?
C56 C29 C35 120.8(2) . . ?
C40 C29 C35 119.8(2) . . ?
C66 C30 C19 120.9(3) . . ?
C66 C30 N5 113.7(3) . . ?
C19 C30 N5 125.4(3) . . ?
C38 C31 C55 119.6(2) . . ?
C38 C31 C33 120.4(2) . . ?
C55 C31 C33 119.9(2) . . ?
N6 N5 C30 113.5(2) . . ?
O5 C33 O7 120.4(2) . . ?
O5 C33 C31 119.4(2) . . ?
O7 C33 C31 120.2(2) . . ?
O5 C33 Dy1 58.59(12) . . ?
O7 C33 Dy1 62.01(12) . . ?
C31 C33 Dy1 172.01(16) . . ?
C46 C34 C50 120.4(2) . . ?
C46 C34 N2 115.3(2) . . ?
C50 C34 N2 124.3(2) . . ?
O2 C35 O9 120.7(2) . . ?
O2 C35 C29 121.2(2) . . ?
O9 C35 C29 118.1(2) . . ?
O2 C35 Dy1 62.57(13) . . ?
O9 C35 Dy1 58.22(12) . . ?
C29 C35 Dy1 175.96(17) . . ?
N2 N1 C59 114.1(2) . . ?
C45 C38 C31 119.7(2) . . ?
C28 C40 C29 120.2(3) . . ?
C45 C42 C27 120.2(2) . . ?
C45 C42 N4 115.4(2) . . ?
C27 C42 N4 124.4(2) . . ?
C1 C43 C28 120.6(2) . . ?
C1 C43 N6 115.0(3) . . ?
C28 C43 N6 124.3(3) . . ?
C46 C44 C17 120.1(2) . . ?
C42 C45 C38 120.1(2) . . ?
C44 C46 C34 120.0(2) . . ?
N1 N2 C34 112.7(2) . . ?
C24 C49 C6 119.8(3) . . ?
C26 C50 C34 119.4(2) . . ?
C68 C51 C61 120.4(3) . . ?
C72 C53 C59 119.9(3) . . ?
C27 C55 C31 120.9(2) . . ?
C1 C56 C29 120.9(3) . . ?
C18 C58 C66 119.9(3) . . ?
C53 C59 C68 120.8(3) . . ?
C53 C59 N1 114.0(3) . . ?
C68 C59 N1 125.2(3) . . ?
C65 C60 C24 119.1(3) . . ?
C72 C61 C51 120.5(3) . . ?
C5 C65 C60 120.9(3) . . ?
C30 C66 C58 119.7(3) . . ?
C51 C68 C59 118.6(3) . . ?
C61 C72 C53 119.7(3) . . ?

_refine_diff_density_max         1.487
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.177

_shelxl_version_number           2014-3
