# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

####################################################################### 
# 
# 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_a_a
_database_code_depnum_ccdc_archive 'CCDC 2023573'
loop_
_audit_author_name
_audit_author_address
'Ming Kong' 'Nanjing University'
_audit_update_record             
;
2020-08-17 deposited with the CCDC.	2020-10-30 downloaded from the CCDC.
;
_audit_creation_date             2020-07-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C35 H44 Dy N7 O12 S4'
_chemical_formula_sum            'C35 H44 Dy N7 O12 S4'
_chemical_formula_weight         1045.51
_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 0.0148 0.0070 '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 -5.9238 12.4054 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2924 0.4247 '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                   7.7601(2)
_cell_length_b                   29.8742(10)
_cell_length_c                   18.9588(6)
_cell_angle_alpha                90
_cell_angle_beta                 94.4050(10)
_cell_angle_gamma                90
_cell_volume                     4382.2(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9988
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      53.68
_cell_measurement_theta_min      2.57
_shelx_estimated_absorpt_T_max   0.228
_shelx_estimated_absorpt_T_min   0.145
_exptl_absorpt_coefficient_mu    10.474
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.4967
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1117 before and 0.0655 after correction.
The Ratio of minimum to maximum transmission is 0.6617.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light colourless'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2116
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0666
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            22201
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.923
_diffrn_reflns_theta_min         2.406
_diffrn_ambient_temperature      193.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6136
_reflns_number_total             7926
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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         1.566
_refine_diff_density_min         -1.644
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         7926
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0659
_refine_ls_restrained_S_all      1.109
_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)+(0.0263P)²+63.5730P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1609
_refine_ls_wR_factor_ref         0.1687
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C18-O3
 1.5 with sigma of 0.01
 O3-H3
 0.87 with sigma of 0.01
 C18-H3
 2.010346 with sigma of 0.02
 Dy1-H3
 2.949303 with sigma of 0.02
3. Rigid bond restraints
 C18, O3
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.001
4.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C14(H14), C27(H27), C33(H33)
4.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C5(H5A,H5B,H5C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C21(H21A,H21B,H21C), C24(H24A,H24B,H24C), C29(H29A,H29B,H29C), C30(H30A,
 H30B,H30C), C35(H35A,H35B,H35C)
;
_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
Dy1 Dy 0.48054(7) 0.62459(2) 0.55495(2) 0.02845(15) Uani 1 1 d D . . . .
S1 S 1.1535(3) 0.72446(9) 0.19558(13) 0.0348(6) Uani 1 1 d . . . . .
S2 S 0.8250(4) 0.56256(10) 0.10391(13) 0.0419(6) Uani 1 1 d . . . . .
S3 S 0.0755(3) 0.69191(9) 0.99171(13) 0.0365(6) Uani 1 1 d . . . . .
S4 S -0.2342(3) 0.52734(9) 0.90338(13) 0.0360(6) Uani 1 1 d . . . . .
O1 O 0.5607(9) 0.6397(2) 0.4452(3) 0.0377(17) Uani 1 1 d . . . . .
O2 O 0.2921(9) 0.6235(3) 0.6388(3) 0.0401(17) Uani 1 1 d . . . . .
O3 O 0.2669(11) 0.5737(2) 0.5018(4) 0.054(2) Uani 1 1 d D U . . .
H3 H 0.296(4) 0.5471(17) 0.489(7) 0.082 Uiso 1 1 d DR . . . .
O4 O 0.2430(11) 0.7411(3) 0.4961(4) 0.053(2) Uani 1 1 d . . . . .
O5 O 0.2449(9) 0.6685(2) 0.4980(3) 0.0369(17) Uani 1 1 d . . . . .
O6 O 0.4477(8) 0.7044(2) 0.5580(3) 0.0323(16) Uani 1 1 d . . . . .
O7 O 0.9094(10) 0.6765(3) 0.6655(5) 0.066(3) Uani 1 1 d . . . . .
O8 O 0.6487(10) 0.6511(2) 0.6636(4) 0.0449(19) Uani 1 1 d . . . . .
O9 O 0.7872(10) 0.6441(3) 0.5715(4) 0.058(2) Uani 1 1 d . . . . .
O10 O 0.7063(12) 0.4995(3) 0.5857(4) 0.057(2) Uani 1 1 d . . . . .
O11 O 0.6297(13) 0.5542(3) 0.5150(4) 0.064(3) Uani 1 1 d . . . . .
O12 O 0.5650(12) 0.5565(3) 0.6229(4) 0.059(2) Uani 1 1 d . . . . .
N1 N 0.7766(10) 0.6672(3) 0.3782(4) 0.0268(17) Uani 1 1 d . . . . .
N2 N 0.6262(10) 0.6108(3) 0.3354(4) 0.0323(19) Uani 1 1 d . . . . .
N3 N 0.2561(10) 0.6483(3) 0.7531(4) 0.0271(18) Uani 1 1 d . . . . .
N4 N 0.1168(10) 0.5884(3) 0.7160(4) 0.0273(18) Uani 1 1 d . . . . .
N5 N 0.3081(11) 0.7059(3) 0.5175(4) 0.034(2) Uani 1 1 d . . . . .
N6 N 0.7878(13) 0.6580(3) 0.6350(5) 0.045(2) Uani 1 1 d . . . . .
N7 N 0.6336(13) 0.5358(3) 0.5744(5) 0.045(2) Uani 1 1 d . . . . .
C1 C 0.8309(14) 0.7047(3) 0.4242(5) 0.035(2) Uani 1 1 d . . . . .
H1A H 0.940038 0.697160 0.451051 0.052 Uiso 1 1 calc GR . . . .
H1B H 0.742064 0.710593 0.457052 0.052 Uiso 1 1 calc GR . . . .
H1C H 0.847019 0.731347 0.395382 0.052 Uiso 1 1 calc GR . . . .
C2 C 0.4975(15) 0.5755(4) 0.3333(6) 0.045(3) Uani 1 1 d . . . . .
H2A H 0.381703 0.588785 0.328737 0.068 Uiso 1 1 calc GR . . . .
H2B H 0.511615 0.558007 0.377120 0.068 Uiso 1 1 calc GR . . . .
H2C H 0.512222 0.555905 0.292793 0.068 Uiso 1 1 calc GR . . . .
C3 C 0.7381(12) 0.6220(3) 0.2861(4) 0.026(2) Uani 1 1 d . . . . .
C4 C 0.8359(11) 0.6572(3) 0.3121(4) 0.0236(19) Uani 1 1 d . . . . .
C5 C 0.8141(13) 0.6990(4) 0.1588(5) 0.036(2) Uani 1 1 d . . . . .
H5A H 0.817612 0.726330 0.130396 0.054 Uiso 1 1 calc GR . . . .
H5B H 0.705714 0.698033 0.182120 0.054 Uiso 1 1 calc GR . . . .
H5C H 0.820900 0.672791 0.128005 0.054 Uiso 1 1 calc GR . . . .
C6 C 0.9627(12) 0.6987(3) 0.2132(4) 0.026(2) Uani 1 1 d . . . . .
C7 C 0.9749(12) 0.6818(3) 0.2817(5) 0.027(2) Uani 1 1 d . . . . .
C8 C 1.1399(12) 0.6903(3) 0.3176(5) 0.031(2) Uani 1 1 d . . . . .
H8 H 1.169310 0.681482 0.365113 0.037 Uiso 1 1 calc R . . . .
C9 C 1.2507(13) 0.7120(3) 0.2779(5) 0.033(2) Uani 1 1 d . . . . .
C10 C 1.4327(13) 0.7273(4) 0.2979(6) 0.046(3) Uani 1 1 d . . . . .
H10A H 1.513785 0.708758 0.273650 0.068 Uiso 1 1 calc GR . . . .
H10B H 1.457468 0.724581 0.349180 0.068 Uiso 1 1 calc GR . . . .
H10C H 1.445227 0.758683 0.283890 0.068 Uiso 1 1 calc GR . . . .
C11 C 1.0568(14) 0.5758(5) 0.2229(7) 0.056(3) Uani 1 1 d . . . . .
H11A H 1.106338 0.548053 0.205886 0.084 Uiso 1 1 calc GR . . . .
H11B H 1.055359 0.574653 0.274536 0.084 Uiso 1 1 calc GR . . . .
H11C H 1.126976 0.601317 0.209663 0.084 Uiso 1 1 calc GR . . . .
C12 C 0.8756(13) 0.5812(4) 0.1903(5) 0.037(2) Uani 1 1 d . . . . .
C13 C 0.7354(12) 0.5997(3) 0.2169(5) 0.029(2) Uani 1 1 d . . . . .
C14 C 0.5839(12) 0.5983(3) 0.1675(5) 0.031(2) Uani 1 1 d . . . . .
H14 H 0.473818 0.608924 0.178618 0.038 Uiso 1 1 calc R . . . .
C15 C 0.6140(13) 0.5803(3) 0.1038(5) 0.031(2) Uani 1 1 d . . . . .
C16 C 0.4919(15) 0.5727(4) 0.0415(5) 0.045(3) Uani 1 1 d . . . . .
H16A H 0.523444 0.591775 0.002427 0.068 Uiso 1 1 calc GR . . . .
H16B H 0.374470 0.580068 0.053319 0.068 Uiso 1 1 calc GR . . . .
H16C H 0.496491 0.541214 0.027205 0.068 Uiso 1 1 calc GR . . . .
C17 C 0.6477(12) 0.6394(3) 0.3917(5) 0.028(2) Uani 1 1 d . . . . .
C18 C 0.0710(16) 0.5811(6) 0.4824(10) 0.105(6) Uani 1 1 d D U . . .
H18A H 0.048694 0.581571 0.430862 0.158 Uiso 1 1 calc GR . . . .
H18B H 0.035363 0.609674 0.502099 0.158 Uiso 1 1 calc GR . . . .
H18C H 0.005344 0.556675 0.502116 0.158 Uiso 1 1 calc GR . . . .
C19 C 0.3508(14) 0.6911(3) 0.7514(5) 0.037(2) Uani 1 1 d . . . . .
H19A H 0.278811 0.715234 0.768107 0.055 Uiso 1 1 calc GR . . . .
H19B H 0.378494 0.697400 0.702827 0.055 Uiso 1 1 calc GR . . . .
H19C H 0.457996 0.689010 0.782123 0.055 Uiso 1 1 calc GR . . . .
C20 C 0.2276(12) 0.6205(3) 0.6977(5) 0.030(2) Uani 1 1 d . . . . .
C21 C 0.0693(15) 0.5497(4) 0.6725(5) 0.046(3) Uani 1 1 d . . . . .
H21A H -0.034722 0.556582 0.641767 0.069 Uiso 1 1 calc GR . . . .
H21B H 0.046426 0.524249 0.702908 0.069 Uiso 1 1 calc GR . . . .
H21C H 0.164242 0.542254 0.643299 0.069 Uiso 1 1 calc GR . . . .
C22 C 0.0673(12) 0.5969(3) 0.7852(4) 0.026(2) Uani 1 1 d . . . . .
C23 C 0.1536(11) 0.6348(3) 0.8076(4) 0.0231(19) Uani 1 1 d . . . . .
C24 C -0.1702(12) 0.6690(4) 0.8823(5) 0.037(2) Uani 1 1 d . . . . .
H24A H -0.226860 0.643726 0.904074 0.056 Uiso 1 1 calc GR . . . .
H24B H -0.178901 0.665205 0.830770 0.056 Uiso 1 1 calc GR . . . .
H24C H -0.226744 0.696942 0.894405 0.056 Uiso 1 1 calc GR . . . .
C25 C 0.0191(13) 0.6705(3) 0.9095(5) 0.029(2) Uani 1 1 d . . . . .
C26 C 0.1599(12) 0.6576(3) 0.8761(5) 0.027(2) Uani 1 1 d . . . . .
C27 C 0.3149(12) 0.6663(3) 0.9191(5) 0.028(2) Uani 1 1 d . . . . .
H27 H 0.426288 0.659880 0.904027 0.033 Uiso 1 1 calc R . . . .
C28 C 0.2914(13) 0.6841(3) 0.9823(5) 0.032(2) Uani 1 1 d . . . . .
C29 C 0.4249(15) 0.6963(4) 1.0403(5) 0.044(3) Uani 1 1 d . . . . .
H29A H 0.408591 0.727472 1.054311 0.065 Uiso 1 1 calc GR . . . .
H29B H 0.540443 0.692658 1.023522 0.065 Uiso 1 1 calc GR . . . .
H29C H 0.413201 0.676657 1.081109 0.065 Uiso 1 1 calc GR . . . .
C30 C 0.1053(13) 0.5562(4) 0.9377(5) 0.035(2) Uani 1 1 d . . . . .
H30A H 0.101302 0.584466 0.963715 0.052 Uiso 1 1 calc GR . . . .
H30B H 0.212883 0.554631 0.913916 0.052 Uiso 1 1 calc GR . . . .
H30C H 0.100806 0.531090 0.970867 0.052 Uiso 1 1 calc GR . . . .
C31 C -0.0469(12) 0.5536(3) 0.8835(5) 0.029(2) Uani 1 1 d . . . . .
C32 C -0.0607(12) 0.5707(3) 0.8166(5) 0.026(2) Uani 1 1 d . . . . .
C33 C -0.2287(12) 0.5625(3) 0.7826(5) 0.029(2) Uani 1 1 d . . . . .
H33 H -0.260792 0.572457 0.735786 0.035 Uiso 1 1 calc R . . . .
C34 C -0.3385(13) 0.5399(3) 0.8212(5) 0.032(2) Uani 1 1 d . . . . .
C35 C -0.5220(14) 0.5277(4) 0.8026(6) 0.044(3) Uani 1 1 d . . . . .
H35A H -0.538632 0.495780 0.811662 0.066 Uiso 1 1 calc GR . . . .
H35B H -0.551701 0.534008 0.752359 0.066 Uiso 1 1 calc GR . . . .
H35C H -0.596696 0.545345 0.831374 0.066 Uiso 1 1 calc GR . . . .


_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 2.262(6) . ?
Dy1 O2 2.241(6) . ?
Dy1 O3 2.411(7) . ?
Dy1 O5 2.435(7) . ?
Dy1 O6 2.400(7) . ?
Dy1 O8 2.481(7) . ?
Dy1 O9 2.447(8) . ?
Dy1 O11 2.543(9) . ?
Dy1 O12 2.470(8) . ?
Dy1 N5 2.838(9) . ?
Dy1 N6 2.904(10) . ?
Dy1 N7 2.919(9) . ?
S1 C6 1.724(10) . ?
S1 C9 1.721(10) . ?
S2 C12 1.746(10) . ?
S2 C15 1.720(11) . ?
S3 C25 1.710(9) . ?
S3 C28 1.714(11) . ?
S4 C31 1.719(10) . ?
S4 C34 1.741(10) . ?
O1 C17 1.261(11) . ?
O2 C20 1.261(11) . ?
O3 H3 0.868(9) . ?
O3 C18 1.552(9) . ?
O4 N5 1.223(11) . ?
O5 N5 1.265(10) . ?
O6 N5 1.280(10) . ?
O7 N6 1.202(12) . ?
O8 N6 1.262(12) . ?
O9 N6 1.273(12) . ?
O10 N7 1.231(11) . ?
O11 N7 1.251(11) . ?
O12 N7 1.260(12) . ?
N1 C1 1.460(11) . ?
N1 C4 1.400(11) . ?
N1 C17 1.340(12) . ?
N2 C2 1.450(12) . ?
N2 C3 1.364(11) . ?
N2 C17 1.369(12) . ?
N3 C19 1.477(12) . ?
N3 C20 1.344(12) . ?
N3 C23 1.408(11) . ?
N4 C20 1.352(12) . ?
N4 C21 1.451(12) . ?
N4 C22 1.418(11) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.366(13) . ?
C3 C13 1.472(12) . ?
C4 C7 1.460(12) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 C6 1.488(12) . ?
C6 C7 1.389(12) . ?
C7 C8 1.425(13) . ?
C8 H8 0.9500 . ?
C8 C9 1.351(13) . ?
C9 C10 1.505(13) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 C12 1.501(14) . ?
C12 C13 1.351(14) . ?
C13 C14 1.446(13) . ?
C14 H14 0.9500 . ?
C14 C15 1.359(13) . ?
C15 C16 1.474(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.367(13) . ?
C22 C32 1.430(13) . ?
C23 C26 1.463(12) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C24 C25 1.520(13) . ?
C25 C26 1.360(13) . ?
C26 C27 1.425(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.337(13) . ?
C28 C29 1.497(13) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30 C31 1.508(13) . ?
C31 C32 1.364(12) . ?
C32 C33 1.430(12) . ?
C33 H33 0.9500 . ?
C33 C34 1.347(13) . ?
C34 C35 1.485(14) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?

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 88.3(3) . . ?
O1 Dy1 O5 74.6(2) . . ?
O1 Dy1 O6 82.0(2) . . ?
O1 Dy1 O8 122.4(3) . . ?
O1 Dy1 O9 74.8(3) . . ?
O1 Dy1 O11 74.2(3) . . ?
O1 Dy1 O12 124.3(3) . . ?
O1 Dy1 N5 75.9(2) . . ?
O1 Dy1 N6 98.0(3) . . ?
O1 Dy1 N7 99.2(3) . . ?
O2 Dy1 O1 153.6(3) . . ?
O2 Dy1 O3 79.7(3) . . ?
O2 Dy1 O5 79.2(3) . . ?
O2 Dy1 O6 85.5(3) . . ?
O2 Dy1 O8 75.3(3) . . ?
O2 Dy1 O9 126.4(3) . . ?
O2 Dy1 O11 122.4(3) . . ?
O2 Dy1 O12 77.3(3) . . ?
O2 Dy1 N5 82.5(3) . . ?
O2 Dy1 N6 100.9(3) . . ?
O2 Dy1 N7 100.3(3) . . ?
O3 Dy1 O5 71.7(3) . . ?
O3 Dy1 O8 148.1(3) . . ?
O3 Dy1 O9 146.6(3) . . ?
O3 Dy1 O11 70.7(3) . . ?
O3 Dy1 O12 81.1(3) . . ?
O3 Dy1 N5 98.0(3) . . ?
O3 Dy1 N6 161.1(3) . . ?
O3 Dy1 N7 74.9(3) . . ?
O5 Dy1 O8 121.7(2) . . ?
O5 Dy1 O9 128.2(3) . . ?
O5 Dy1 O11 131.1(3) . . ?
O5 Dy1 O12 146.7(3) . . ?
O5 Dy1 N5 26.4(2) . . ?
O5 Dy1 N6 127.2(3) . . ?
O5 Dy1 N7 146.1(2) . . ?
O6 Dy1 O3 124.4(3) . . ?
O6 Dy1 O5 53.0(2) . . ?
O6 Dy1 O8 73.3(2) . . ?
O6 Dy1 O9 82.2(3) . . ?
O6 Dy1 O11 151.7(3) . . ?
O6 Dy1 O12 146.2(2) . . ?
O6 Dy1 N5 26.6(2) . . ?
O6 Dy1 N6 74.3(2) . . ?
O6 Dy1 N7 160.6(2) . . ?
O8 Dy1 O11 106.8(3) . . ?
O8 Dy1 N5 98.2(2) . . ?
O8 Dy1 N6 25.6(2) . . ?
O8 Dy1 N7 90.1(2) . . ?
O9 Dy1 O8 51.2(3) . . ?
O9 Dy1 O11 77.0(3) . . ?
O9 Dy1 O12 85.0(3) . . ?
O9 Dy1 N5 105.2(3) . . ?
O9 Dy1 N6 25.7(3) . . ?
O9 Dy1 N7 79.6(3) . . ?
O11 Dy1 N5 148.2(2) . . ?
O11 Dy1 N6 93.8(3) . . ?
O11 Dy1 N7 25.3(2) . . ?
O12 Dy1 O8 74.2(3) . . ?
O12 Dy1 O11 50.6(3) . . ?
O12 Dy1 N5 159.6(3) . . ?
O12 Dy1 N6 80.6(3) . . ?
O12 Dy1 N7 25.3(3) . . ?
N5 Dy1 N6 100.9(3) . . ?
N5 Dy1 N7 171.7(2) . . ?
N6 Dy1 N7 86.4(3) . . ?
C9 S1 C6 92.9(5) . . ?
C15 S2 C12 92.8(5) . . ?
C25 S3 C28 92.2(5) . . ?
C31 S4 C34 92.8(5) . . ?
C17 O1 Dy1 160.1(7) . . ?
C20 O2 Dy1 162.5(7) . . ?
Dy1 O3 H3 120.4(15) . . ?
C18 O3 Dy1 129.7(7) . . ?
C18 O3 H3 109.8(15) . . ?
N5 O5 Dy1 94.9(5) . . ?
N5 O6 Dy1 96.1(5) . . ?
N6 O8 Dy1 96.3(6) . . ?
N6 O9 Dy1 97.6(6) . . ?
N7 O11 Dy1 94.4(6) . . ?
N7 O12 Dy1 97.7(6) . . ?
C4 N1 C1 126.8(8) . . ?
C17 N1 C1 123.1(8) . . ?
C17 N1 C4 109.9(7) . . ?
C3 N2 C2 129.3(8) . . ?
C3 N2 C17 109.5(8) . . ?
C17 N2 C2 121.1(8) . . ?
C20 N3 C19 124.7(8) . . ?
C20 N3 C23 109.3(7) . . ?
C23 N3 C19 125.0(7) . . ?
C20 N4 C21 124.0(8) . . ?
C20 N4 C22 109.4(8) . . ?
C22 N4 C21 126.4(8) . . ?
O4 N5 Dy1 174.1(7) . . ?
O4 N5 O5 121.5(8) . . ?
O4 N5 O6 122.6(9) . . ?
O5 N5 Dy1 58.7(5) . . ?
O5 N5 O6 115.8(8) . . ?
O6 N5 Dy1 57.2(4) . . ?
O7 N6 Dy1 172.8(8) . . ?
O7 N6 O8 122.3(10) . . ?
O7 N6 O9 123.4(11) . . ?
O8 N6 Dy1 58.2(5) . . ?
O8 N6 O9 114.3(9) . . ?
O9 N6 Dy1 56.6(5) . . ?
O10 N7 Dy1 175.7(7) . . ?
O10 N7 O11 121.6(10) . . ?
O10 N7 O12 121.1(9) . . ?
O11 N7 Dy1 60.3(5) . . ?
O11 N7 O12 117.3(9) . . ?
O12 N7 Dy1 57.0(5) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N2 C2 H2A 109.5 . . ?
N2 C2 H2B 109.5 . . ?
N2 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C3 C4 107.9(8) . . ?
N2 C3 C13 122.2(8) . . ?
C4 C3 C13 129.8(8) . . ?
N1 C4 C7 123.3(8) . . ?
C3 C4 N1 106.0(8) . . ?
C3 C4 C7 130.7(8) . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
C6 C5 H5C 109.5 . . ?
C5 C6 S1 119.6(7) . . ?
C7 C6 S1 110.2(7) . . ?
C7 C6 C5 130.1(9) . . ?
C6 C7 C4 123.5(8) . . ?
C6 C7 C8 112.1(8) . . ?
C8 C7 C4 124.4(8) . . ?
C7 C8 H8 123.0 . . ?
C9 C8 C7 114.0(9) . . ?
C9 C8 H8 123.0 . . ?
C8 C9 S1 110.8(7) . . ?
C8 C9 C10 129.1(9) . . ?
C10 C9 S1 120.0(8) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
C11 C12 S2 119.3(8) . . ?
C13 C12 S2 110.5(7) . . ?
C13 C12 C11 130.2(9) . . ?
C12 C13 C3 124.1(9) . . ?
C12 C13 C14 112.7(8) . . ?
C14 C13 C3 123.0(9) . . ?
C13 C14 H14 123.2 . . ?
C15 C14 C13 113.5(9) . . ?
C15 C14 H14 123.2 . . ?
C14 C15 S2 110.4(7) . . ?
C14 C15 C16 129.0(10) . . ?
C16 C15 S2 120.5(8) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 C17 N1 127.1(9) . . ?
O1 C17 N2 126.2(9) . . ?
N1 C17 N2 106.7(8) . . ?
O3 C18 H18A 109.5 . . ?
O3 C18 H18B 109.5 . . ?
O3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N3 C19 H19A 109.5 . . ?
N3 C19 H19B 109.5 . . ?
N3 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O2 C20 N3 126.7(9) . . ?
O2 C20 N4 125.5(9) . . ?
N3 C20 N4 107.8(8) . . ?
N4 C21 H21A 109.5 . . ?
N4 C21 H21B 109.5 . . ?
N4 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N4 C22 C32 122.2(8) . . ?
C23 C22 N4 105.9(8) . . ?
C23 C22 C32 131.6(8) . . ?
N3 C23 C26 122.4(8) . . ?
C22 C23 N3 107.4(7) . . ?
C22 C23 C26 129.9(8) . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C25 C24 H24A 109.5 . . ?
C25 C24 H24B 109.5 . . ?
C25 C24 H24C 109.5 . . ?
C24 C25 S3 119.6(7) . . ?
C26 C25 S3 111.9(7) . . ?
C26 C25 C24 128.5(9) . . ?
C25 C26 C23 124.9(8) . . ?
C25 C26 C27 110.8(8) . . ?
C27 C26 C23 124.2(8) . . ?
C26 C27 H27 122.6 . . ?
C28 C27 C26 114.7(9) . . ?
C28 C27 H27 122.6 . . ?
C27 C28 S3 110.4(7) . . ?
C27 C28 C29 128.4(10) . . ?
C29 C28 S3 121.2(8) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
C30 C31 S4 120.3(7) . . ?
C32 C31 S4 111.6(7) . . ?
C32 C31 C30 128.1(9) . . ?
C22 C32 C33 123.0(8) . . ?
C31 C32 C22 125.8(9) . . ?
C31 C32 C33 111.0(8) . . ?
C32 C33 H33 122.1 . . ?
C34 C33 C32 115.7(8) . . ?
C34 C33 H33 122.1 . . ?
C33 C34 S4 108.9(7) . . ?
C33 C34 C35 129.0(9) . . ?
C35 C34 S4 122.1(8) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?

_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_a_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2023575'
loop_
_audit_author_name
_audit_author_address
'Ming Kong' 'Nanjing University'
_audit_update_record             
;
2020-08-17 deposited with the CCDC.	2020-10-30 downloaded from the CCDC.
;
_audit_creation_date             2020-07-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H20 N2 O S2'
_chemical_formula_sum            'C17 H20 N2 O S2'
_chemical_formula_weight         332.47
_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 0.0148 0.0070 '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 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2924 0.4247 '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                   7.4367(7)
_cell_length_b                   8.9281(7)
_cell_length_c                   13.7147(13)
_cell_angle_alpha                97.790(3)
_cell_angle_beta                 101.096(2)
_cell_angle_gamma                108.161(2)
_cell_volume                     830.18(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6656
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      53.90
_cell_measurement_theta_min      2.92
_shelx_estimated_absorpt_T_max   0.702
_shelx_estimated_absorpt_T_min   0.599
_exptl_absorpt_coefficient_mu    1.902
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.3146
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1437 before and 0.0704 after correction.
The Ratio of minimum to maximum transmission is 0.4191.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light colourless'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             352
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0464
_diffrn_reflns_av_unetI/netI     0.0608
_diffrn_reflns_Laue_measured_fraction_full 0.936
_diffrn_reflns_Laue_measured_fraction_max 0.935
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6110
_diffrn_reflns_point_group_measured_fraction_full 0.936
_diffrn_reflns_point_group_measured_fraction_max 0.935
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.906
_diffrn_reflns_theta_min         2.922
_diffrn_ambient_temperature      192.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.936
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2784
_reflns_number_total             2843
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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         0.416
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     205
_refine_ls_number_reflns         2843
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0490
_refine_ls_restrained_S_all      1.124
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0601P)²+0.5873P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1373
_refine_ls_wR_factor_ref         0.1377
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C15(H15)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C3(H3A,H3B,H3C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C),
 C12(H12A,H12B,H12C), C17(H17A,H17B,H17C)
;
_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
S1 S 0.73247(8) 0.61283(6) 0.96163(4) 0.0269(2) Uani 1 1 d . . . . .
S2 S 0.04732(8) 0.06200(6) 0.80638(4) 0.0276(2) Uani 1 1 d . . . . .
O1 O 0.5914(3) 0.2783(2) 0.42495(12) 0.0337(4) Uani 1 1 d . . . . .
N1 N 0.6360(3) 0.4194(2) 0.58884(13) 0.0240(4) Uani 1 1 d . . . . .
N2 N 0.4128(3) 0.1784(2) 0.53936(13) 0.0248(4) Uani 1 1 d . . . . .
C1 C 0.7945(3) 0.5612(3) 0.58509(18) 0.0301(5) Uani 1 1 d . . . . .
H1A H 0.919904 0.550297 0.613930 0.045 Uiso 1 1 calc GR . . . .
H1B H 0.784593 0.657167 0.624480 0.045 Uiso 1 1 calc GR . . . .
H1C H 0.786156 0.571980 0.514342 0.045 Uiso 1 1 calc GR . . . .
C2 C 0.5512(3) 0.2909(3) 0.50841(16) 0.0251(5) Uani 1 1 d . . . . .
C3 C 0.2687(4) 0.0348(3) 0.46985(18) 0.0329(5) Uani 1 1 d . . . . .
H3A H 0.249292 -0.056904 0.503635 0.049 Uiso 1 1 calc GR . . . .
H3B H 0.315328 0.011697 0.409324 0.049 Uiso 1 1 calc GR . . . .
H3C H 0.144653 0.052853 0.449811 0.049 Uiso 1 1 calc GR . . . .
C4 C 0.5522(3) 0.3872(2) 0.67088(15) 0.0218(4) Uani 1 1 d . . . . .
C5 C 0.4124(3) 0.2381(2) 0.63937(15) 0.0223(4) Uani 1 1 d . . . . .
C6 C 0.6160(3) 0.4971(2) 0.77029(15) 0.0211(4) Uani 1 1 d . . . . .
C7 C 0.6076(3) 0.6572(2) 0.78564(16) 0.0233(4) Uani 1 1 d . . . . .
H7 H 0.565439 0.704295 0.731532 0.028 Uiso 1 1 calc R . . . .
C8 C 0.6654(3) 0.7345(3) 0.88430(16) 0.0237(5) Uani 1 1 d . . . . .
C9 C 0.6718(4) 0.8996(3) 0.92890(18) 0.0304(5) Uani 1 1 d . . . . .
H9A H 0.599621 0.892587 0.981842 0.046 Uiso 1 1 calc GR . . . .
H9B H 0.611913 0.944365 0.875400 0.046 Uiso 1 1 calc GR . . . .
H9C H 0.807931 0.969841 0.958584 0.046 Uiso 1 1 calc GR . . . .
C10 C 0.6809(3) 0.4561(2) 0.85960(16) 0.0238(5) Uani 1 1 d . . . . .
C11 C 0.7051(4) 0.3015(3) 0.87797(18) 0.0325(5) Uani 1 1 d . . . . .
H11A H 0.826539 0.324880 0.929841 0.049 Uiso 1 1 calc GR . . . .
H11B H 0.710460 0.239298 0.814662 0.049 Uiso 1 1 calc GR . . . .
H11C H 0.594116 0.238962 0.901449 0.049 Uiso 1 1 calc GR . . . .
C12 C 0.1167(4) 0.3508(3) 0.7368(2) 0.0378(6) Uani 1 1 d . . . . .
H12A H -0.024952 0.326086 0.721560 0.057 Uiso 1 1 calc GR . . . .
H12B H 0.168425 0.400829 0.683909 0.057 Uiso 1 1 calc GR . . . .
H12C H 0.178302 0.425275 0.802843 0.057 Uiso 1 1 calc GR . . . .
C13 C 0.1601(3) 0.1985(3) 0.73972(16) 0.0245(5) Uani 1 1 d . . . . .
C14 C 0.2839(3) 0.1448(2) 0.69487(15) 0.0220(4) Uani 1 1 d . . . . .
C15 C 0.2847(3) -0.0093(2) 0.71448(16) 0.0246(5) Uani 1 1 d . . . . .
H15 H 0.360793 -0.064407 0.687644 0.030 Uiso 1 1 calc R . . . .
C16 C 0.1672(3) -0.0687(2) 0.77461(16) 0.0243(5) Uani 1 1 d . . . . .
C17 C 0.1447(4) -0.2170(3) 0.81762(19) 0.0313(5) Uani 1 1 d . . . . .
H17A H 0.204637 -0.185893 0.890897 0.047 Uiso 1 1 calc GR . . . .
H17B H 0.209322 -0.282212 0.784690 0.047 Uiso 1 1 calc GR . . . .
H17C H 0.005558 -0.279949 0.805436 0.047 Uiso 1 1 calc GR . . . .


_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
S1 C8 1.732(2) . ?
S1 C10 1.729(2) . ?
S2 C13 1.728(2) . ?
S2 C16 1.733(2) . ?
O1 C2 1.237(3) . ?
N1 C1 1.452(3) . ?
N1 C2 1.367(3) . ?
N1 C4 1.408(3) . ?
N2 C2 1.374(3) . ?
N2 C3 1.456(3) . ?
N2 C5 1.403(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.359(3) . ?
C4 C6 1.465(3) . ?
C5 C14 1.464(3) . ?
C6 C7 1.439(3) . ?
C6 C10 1.368(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.353(3) . ?
C8 C9 1.500(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.494(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12 C13 1.496(3) . ?
C13 C14 1.367(3) . ?
C14 C15 1.439(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.354(3) . ?
C16 C17 1.497(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?

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
C10 S1 C8 92.68(10) . . ?
C13 S2 C16 92.97(10) . . ?
C2 N1 C1 121.72(18) . . ?
C2 N1 C4 110.11(18) . . ?
C4 N1 C1 128.12(19) . . ?
C2 N2 C3 122.74(19) . . ?
C2 N2 C5 109.63(18) . . ?
C5 N2 C3 126.71(19) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 N1 127.0(2) . . ?
O1 C2 N2 127.0(2) . . ?
N1 C2 N2 105.94(17) . . ?
N2 C3 H3A 109.5 . . ?
N2 C3 H3B 109.5 . . ?
N2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 C6 123.99(18) . . ?
C5 C4 N1 106.76(18) . . ?
C5 C4 C6 129.22(19) . . ?
N2 C5 C14 122.82(19) . . ?
C4 C5 N2 107.54(19) . . ?
C4 C5 C14 129.60(19) . . ?
C7 C6 C4 123.84(18) . . ?
C10 C6 C4 123.70(19) . . ?
C10 C6 C7 112.39(19) . . ?
C6 C7 H7 123.1 . . ?
C8 C7 C6 113.72(18) . . ?
C8 C7 H7 123.1 . . ?
C7 C8 S1 110.50(16) . . ?
C7 C8 C9 128.6(2) . . ?
C9 C8 S1 120.85(16) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 S1 110.70(16) . . ?
C6 C10 C11 129.7(2) . . ?
C11 C10 S1 119.59(16) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
C12 C13 S2 120.61(17) . . ?
C14 C13 S2 110.54(15) . . ?
C14 C13 C12 128.8(2) . . ?
C13 C14 C5 124.03(18) . . ?
C13 C14 C15 112.45(19) . . ?
C15 C14 C5 123.38(19) . . ?
C14 C15 H15 123.0 . . ?
C16 C15 C14 113.92(19) . . ?
C16 C15 H15 123.0 . . ?
C15 C16 S2 110.10(16) . . ?
C15 C16 C17 128.5(2) . . ?
C17 C16 S2 121.25(17) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?

_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_2
_database_code_depnum_ccdc_archive 'CCDC 2023574'
loop_
_audit_author_name
_audit_author_address
'Ming Kong' 'Nanjing University'
_audit_update_record             
;
2020-08-17 deposited with the CCDC.	2020-10-30 downloaded from the CCDC.
;
_audit_creation_date             2020-04-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C51 H60 Dy N9 O12 S6'
_chemical_formula_sum            'C51 H60 Dy N9 O12 S6'
_chemical_formula_weight         1345.94
_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                   8.9475(6)
_cell_length_b                   18.8073(12)
_cell_length_c                   21.2856(14)
_cell_angle_alpha                77.660(3)
_cell_angle_beta                 89.468(3)
_cell_angle_gamma                87.737(3)
_cell_volume                     3496.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      53.02
_cell_measurement_theta_min      2.48
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.303
_exptl_absorpt_correction_T_max  0.7505
_exptl_absorpt_correction_T_min  0.4492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1868 before and 0.0927 after correction. The Ratio of minimum to maximum transmission is 0.5985. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1374
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0871
_diffrn_reflns_av_unetI/netI     0.0999
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            30519
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.119
_diffrn_reflns_theta_max         25.119
_diffrn_reflns_theta_min         0.979
_diffrn_ambient_temperature      192.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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                9352
_reflns_number_total             12191
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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         2.340
_refine_diff_density_min         -2.975
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         12191
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0817
_refine_ls_restrained_S_all      1.062
_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)+(0.1054P)²+22.8826P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2160
_refine_ls_wR_factor_ref         0.2276
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C12(H12), C20(H20), C29(H29), C37(H37), C45(H45)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C6(H6A,H6B,H6C), C9(H9A,H9B,H9C), C14(H14A,H14B,H14C),
 C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C23(H23A,H23B,
 H23C), C26(H26A,H26B,H26C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C34(H34A,
 H34B,H34C), C35(H35A,H35B,H35C), C40(H40A,H40B,H40C), C43(H43A,H43B,H43C),
 C48(H48A,H48B,H48C), C49(H49A,H49B,H49C), C51(H51A,H51B,H51C)
;
_atom_sites_solution_hydrogens   geom
_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 0.58267(5) 0.31965(2) 0.28197(2) 0.03268(16) Uani 1 1 d . . . . .
S1 S 0.2020(4) 0.1344(2) 0.66687(15) 0.0686(9) Uani 1 1 d . . . . .
S2 S 0.5853(3) 0.38229(19) 0.68040(12) 0.0548(8) Uani 1 1 d . . . . .
S3 S 0.1374(3) 0.76055(13) 0.16791(14) 0.0453(6) Uani 1 1 d . . . . .
S4 S 0.5559(3) 0.71723(13) -0.02776(11) 0.0414(6) Uani 1 1 d . . . . .
S5 S 0.2023(3) 0.09037(15) 0.00337(11) 0.0431(6) Uani 1 1 d . . . . .
S6 S 0.6149(3) -0.10611(12) 0.16717(13) 0.0393(6) Uani 1 1 d . . . . .
O1 O 0.4149(7) 0.3499(3) 0.3550(3) 0.0327(14) Uani 1 1 d . . . . .
O2 O 0.4172(7) 0.3828(3) 0.2084(3) 0.0316(14) Uani 1 1 d . . . . .
O3 O 0.4254(7) 0.2240(3) 0.2840(3) 0.0336(14) Uani 1 1 d . . . . .
O4 O 0.6380(8) 0.2317(4) 0.3847(3) 0.0506(18) Uani 1 1 d . . . . .
O5 O 0.7724(8) 0.3258(4) 0.3624(4) 0.0529(18) Uani 1 1 d . . . . .
O6 O 0.8166(11) 0.2483(6) 0.4513(4) 0.083(3) Uani 1 1 d . . . . .
O7 O 0.7841(7) 0.2355(4) 0.2605(3) 0.0478(17) Uani 1 1 d . . . . .
O8 O 0.6379(7) 0.2785(3) 0.1800(3) 0.0368(15) Uani 1 1 d . . . . .
O9 O 0.8219(9) 0.2017(5) 0.1698(4) 0.069(2) Uani 1 1 d . . . . .
O10 O 0.7721(8) 0.3991(4) 0.2231(3) 0.0492(18) Uani 1 1 d . . . . .
O11 O 0.6204(7) 0.4515(4) 0.2789(3) 0.0434(16) Uani 1 1 d . . . . .
O12 O 0.7958(9) 0.5133(4) 0.2216(4) 0.069(2) Uani 1 1 d . . . . .
N1 N 0.3190(8) 0.2826(4) 0.4504(3) 0.0359(18) Uani 1 1 d . . . . .
N2 N 0.4834(8) 0.3633(4) 0.4564(3) 0.0350(18) Uani 1 1 d . . . . .
N3 N 0.2953(8) 0.4982(4) 0.1967(3) 0.0296(16) Uani 1 1 d . . . . .
N4 N 0.4742(8) 0.4866(4) 0.1302(3) 0.0273(15) Uani 1 1 d . . . . .
N5 N 0.5053(8) 0.1178(4) 0.2514(3) 0.0317(17) Uani 1 1 d . . . . .
N6 N 0.3223(7) 0.1835(4) 0.2000(3) 0.0272(15) Uani 1 1 d . . . . .
N7 N 0.7402(11) 0.2673(6) 0.4009(4) 0.057(3) Uani 1 1 d . . . . .
N8 N 0.7530(9) 0.2384(5) 0.2027(4) 0.047(2) Uani 1 1 d . . . . .
N9 N 0.7309(10) 0.4571(5) 0.2418(4) 0.046(2) Uani 1 1 d . . . . .
C1 C -0.1016(13) 0.1557(8) 0.6364(7) 0.079(4) Uani 1 1 d . . . . .
H1A H -0.103688 0.104851 0.659816 0.119 Uiso 1 1 calc GR . . . .
H1B H -0.161759 0.162124 0.597213 0.119 Uiso 1 1 calc GR . . . .
H1C H -0.142934 0.187555 0.663715 0.119 Uiso 1 1 calc GR . . . .
C2 C 0.0555(12) 0.1748(7) 0.6190(5) 0.058(3) Uani 1 1 d . . . . .
C3 C 0.1054(10) 0.2240(5) 0.5673(5) 0.040(2) Uani 1 1 d . . . . .
H3 H 0.040800 0.252045 0.535455 0.048 Uiso 1 1 calc R . . . .
C4 C 0.2645(10) 0.2296(5) 0.5657(4) 0.034(2) Uani 1 1 d . . . . .
C5 C 0.3321(12) 0.1832(6) 0.6170(5) 0.053(3) Uani 1 1 d . . . . .
C6 C 0.4968(14) 0.1690(8) 0.6327(7) 0.081(4) Uani 1 1 d . . . . .
H6A H 0.536055 0.210869 0.646895 0.122 Uiso 1 1 calc GR . . . .
H6B H 0.551268 0.161579 0.594317 0.122 Uiso 1 1 calc GR . . . .
H6C H 0.509703 0.125329 0.667099 0.122 Uiso 1 1 calc GR . . . .
C7 C 0.3452(10) 0.2802(5) 0.5162(4) 0.035(2) Uani 1 1 d . . . . .
C8 C 0.4435(11) 0.3299(5) 0.5196(4) 0.038(2) Uani 1 1 d . . . . .
C9 C 0.2884(11) 0.3789(7) 0.6389(5) 0.058(3) Uani 1 1 d . . . . .
H9A H 0.247315 0.330868 0.655212 0.087 Uiso 1 1 calc GR . . . .
H9B H 0.236618 0.402748 0.599202 0.087 Uiso 1 1 calc GR . . . .
H9C H 0.274332 0.408732 0.671194 0.087 Uiso 1 1 calc GR . . . .
C10 C 0.4516(11) 0.3701(6) 0.6255(4) 0.044(2) Uani 1 1 d . . . . .
C11 C 0.5237(11) 0.3496(5) 0.5747(4) 0.036(2) Uani 1 1 d . . . . .
C12 C 0.6782(11) 0.3439(6) 0.5803(4) 0.040(2) Uani 1 1 d . . . . .
H12 H 0.741087 0.330935 0.547960 0.048 Uiso 1 1 calc R . . . .
C13 C 0.7335(11) 0.3583(7) 0.6360(5) 0.049(3) Uani 1 1 d . . . . .
C14 C 0.8923(13) 0.3589(8) 0.6564(6) 0.064(3) Uani 1 1 d . . . . .
H14A H 0.918295 0.408929 0.656849 0.096 Uiso 1 1 calc GR . . . .
H14B H 0.957755 0.339818 0.626215 0.096 Uiso 1 1 calc GR . . . .
H14C H 0.905170 0.328373 0.699642 0.096 Uiso 1 1 calc GR . . . .
C15 C 0.2291(12) 0.2345(6) 0.4207(5) 0.052(3) Uani 1 1 d . . . . .
H15A H 0.239195 0.184465 0.445990 0.078 Uiso 1 1 calc GR . . . .
H15B H 0.264623 0.235885 0.376750 0.078 Uiso 1 1 calc GR . . . .
H15C H 0.123764 0.251093 0.419532 0.078 Uiso 1 1 calc GR . . . .
C16 C 0.4076(10) 0.3351(5) 0.4147(4) 0.033(2) Uani 1 1 d . . . . .
C17 C 0.5656(13) 0.4307(5) 0.4361(5) 0.047(3) Uani 1 1 d . . . . .
H17A H 0.517592 0.469379 0.454439 0.070 Uiso 1 1 calc GR . . . .
H17B H 0.564733 0.445329 0.389078 0.070 Uiso 1 1 calc GR . . . .
H17C H 0.669118 0.422120 0.451308 0.070 Uiso 1 1 calc GR . . . .
C18 C -0.1603(11) 0.7188(6) 0.1781(6) 0.051(3) Uani 1 1 d . . . . .
H18A H -0.173733 0.739625 0.216286 0.076 Uiso 1 1 calc GR . . . .
H18B H -0.220645 0.675642 0.182398 0.076 Uiso 1 1 calc GR . . . .
H18C H -0.192196 0.754988 0.139807 0.076 Uiso 1 1 calc GR . . . .
C19 C -0.0009(10) 0.6979(5) 0.1716(5) 0.037(2) Uani 1 1 d . . . . .
C20 C 0.0618(10) 0.6324(5) 0.1680(4) 0.034(2) Uani 1 1 d . . . . .
H20 H 0.005025 0.590665 0.168283 0.041 Uiso 1 1 calc R . . . .
C21 C 0.2225(9) 0.6314(5) 0.1636(4) 0.0302(19) Uani 1 1 d . . . . .
C22 C 0.2803(10) 0.6970(5) 0.1634(5) 0.037(2) Uani 1 1 d . . . . .
C23 C 0.4396(12) 0.7177(6) 0.1617(5) 0.049(3) Uani 1 1 d . . . . .
H23A H 0.470207 0.735707 0.116954 0.074 Uiso 1 1 calc GR . . . .
H23B H 0.502708 0.674939 0.180931 0.074 Uiso 1 1 calc GR . . . .
H23C H 0.450606 0.755921 0.185955 0.074 Uiso 1 1 calc GR . . . .
C24 C 0.3124(10) 0.5660(5) 0.1568(4) 0.032(2) Uani 1 1 d . . . . .
C25 C 0.4245(10) 0.5583(4) 0.1153(4) 0.0315(19) Uani 1 1 d . . . . .
C26 C 0.2628(10) 0.6718(5) 0.0003(5) 0.039(2) Uani 1 1 d . . . . .
H26A H 0.219865 0.711229 0.019129 0.059 Uiso 1 1 calc GR . . . .
H26B H 0.211058 0.626782 0.017642 0.059 Uiso 1 1 calc GR . . . .
H26C H 0.251007 0.684591 -0.046501 0.059 Uiso 1 1 calc GR . . . .
C27 C 0.4281(10) 0.6604(5) 0.0170(4) 0.034(2) Uani 1 1 d . . . . .
C28 C 0.4994(10) 0.6124(4) 0.0664(4) 0.0310(19) Uani 1 1 d . . . . .
C29 C 0.6556(11) 0.6197(5) 0.0644(4) 0.037(2) Uani 1 1 d . . . . .
H29 H 0.720850 0.589011 0.094240 0.044 Uiso 1 1 calc R . . . .
C30 C 0.7060(10) 0.6728(5) 0.0176(4) 0.040(2) Uani 1 1 d . . . . .
C31 C 0.8633(11) 0.6968(7) 0.0046(5) 0.056(3) Uani 1 1 d . . . . .
H31A H 0.903685 0.678531 -0.032150 0.084 Uiso 1 1 calc GR . . . .
H31B H 0.925215 0.677376 0.042619 0.084 Uiso 1 1 calc GR . . . .
H31C H 0.863789 0.750101 -0.005079 0.084 Uiso 1 1 calc GR . . . .
C32 C 0.1965(11) 0.4771(5) 0.2525(4) 0.041(2) Uani 1 1 d . . . . .
H32A H 0.213574 0.507858 0.283340 0.061 Uiso 1 1 calc GR . . . .
H32B H 0.217892 0.425961 0.273055 0.061 Uiso 1 1 calc GR . . . .
H32C H 0.091979 0.483403 0.238314 0.061 Uiso 1 1 calc GR . . . .
C33 C 0.3988(9) 0.4482(5) 0.1816(4) 0.0285(19) Uani 1 1 d . . . . .
C34 C 0.5777(11) 0.4492(5) 0.0925(5) 0.042(2) Uani 1 1 d . . . . .
H34A H 0.558408 0.467404 0.046548 0.062 Uiso 1 1 calc GR . . . .
H34B H 0.562620 0.396652 0.103803 0.062 Uiso 1 1 calc GR . . . .
H34C H 0.681052 0.458594 0.102206 0.062 Uiso 1 1 calc GR . . . .
C35 C -0.1034(12) 0.1105(7) 0.0308(6) 0.056(3) Uani 1 1 d . . . . .
H35A H -0.106078 0.113320 -0.015704 0.084 Uiso 1 1 calc GR . . . .
H35B H -0.155435 0.153583 0.040681 0.084 Uiso 1 1 calc GR . . . .
H35C H -0.152898 0.066564 0.053103 0.084 Uiso 1 1 calc GR . . . .
C36 C 0.0558(10) 0.1072(5) 0.0526(4) 0.036(2) Uani 1 1 d . . . . .
C37 C 0.1091(10) 0.1179(5) 0.1079(4) 0.0316(19) Uani 1 1 d . . . . .
H37 H 0.045758 0.126882 0.141629 0.038 Uiso 1 1 calc R . . . .
C38 C 0.2683(9) 0.1149(4) 0.1128(4) 0.0288(18) Uani 1 1 d . . . . .
C39 C 0.3358(11) 0.1008(5) 0.0586(4) 0.039(2) Uani 1 1 d . . . . .
C40 C 0.4981(10) 0.0932(6) 0.0432(5) 0.043(2) Uani 1 1 d . . . . .
H40A H 0.526247 0.041529 0.046965 0.065 Uiso 1 1 calc GR . . . .
H40B H 0.557609 0.113063 0.073384 0.065 Uiso 1 1 calc GR . . . .
H40C H 0.517002 0.119843 -0.000776 0.065 Uiso 1 1 calc GR . . . .
C41 C 0.3501(9) 0.1251(5) 0.1700(4) 0.0304(19) Uani 1 1 d . . . . .
C42 C 0.4653(9) 0.0824(5) 0.2035(4) 0.0271(18) Uani 1 1 d . . . . .
C43 C 0.9184(10) -0.0710(6) 0.1613(5) 0.043(2) Uani 1 1 d . . . . .
H43A H 0.950031 -0.111009 0.196750 0.064 Uiso 1 1 calc GR . . . .
H43B H 0.981088 -0.029241 0.160450 0.064 Uiso 1 1 calc GR . . . .
H43C H 0.929017 -0.086948 0.120474 0.064 Uiso 1 1 calc GR . . . .
C44 C 0.7605(10) -0.0497(5) 0.1705(4) 0.0324(19) Uani 1 1 d . . . . .
C45 C 0.7043(9) 0.0140(4) 0.1849(4) 0.0275(18) Uani 1 1 d . . . . .
H45 H 0.766313 0.052359 0.189693 0.033 Uiso 1 1 calc R . . . .
C46 C 0.5432(9) 0.0181(5) 0.1924(4) 0.0286(18) Uani 1 1 d . . . . .
C47 C 0.4824(10) -0.0451(5) 0.1848(5) 0.038(2) Uani 1 1 d . . . . .
C48 C 0.3193(11) -0.0618(5) 0.1880(6) 0.051(3) Uani 1 1 d . . . . .
H48A H 0.276643 -0.049431 0.144597 0.076 Uiso 1 1 calc GR . . . .
H48B H 0.266742 -0.033062 0.215302 0.076 Uiso 1 1 calc GR . . . .
H48C H 0.308089 -0.113782 0.206113 0.076 Uiso 1 1 calc GR . . . .
C49 C 0.6059(12) 0.0871(6) 0.3055(4) 0.044(2) Uani 1 1 d . . . . .
H49A H 0.569364 0.040264 0.328618 0.066 Uiso 1 1 calc GR . . . .
H49B H 0.608635 0.120767 0.334795 0.066 Uiso 1 1 calc GR . . . .
H49C H 0.706805 0.079876 0.289068 0.066 Uiso 1 1 calc GR . . . .
C50 C 0.4190(9) 0.1792(4) 0.2484(4) 0.0260(18) Uani 1 1 d . . . . .
C51 C 0.2144(10) 0.2452(5) 0.1804(5) 0.039(2) Uani 1 1 d . . . . .
H51A H 0.184074 0.248338 0.135761 0.059 Uiso 1 1 calc GR . . . .
H51B H 0.261034 0.290425 0.184049 0.059 Uiso 1 1 calc GR . . . .
H51C H 0.126357 0.237884 0.208429 0.059 Uiso 1 1 calc GR . . . .


_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 2.294(5) . ?
Dy1 O2 2.273(6) . ?
Dy1 O3 2.320(6) . ?
Dy1 O4 2.485(7) . ?
Dy1 O5 2.445(7) . ?
Dy1 O7 2.455(7) . ?
Dy1 O8 2.495(6) . ?
Dy1 O10 2.456(6) . ?
Dy1 O11 2.502(7) . ?
Dy1 N7 2.874(9) . ?
Dy1 N8 2.894(8) . ?
Dy1 N9 2.911(8) . ?
S1 C2 1.717(13) . ?
S1 C5 1.723(10) . ?
S2 C10 1.735(10) . ?
S2 C13 1.723(10) . ?
S3 C19 1.733(9) . ?
S3 C22 1.731(10) . ?
S4 C27 1.732(8) . ?
S4 C30 1.739(9) . ?
S5 C36 1.733(9) . ?
S5 C39 1.729(10) . ?
S6 C44 1.724(9) . ?
S6 C47 1.712(10) . ?
O1 C16 1.242(10) . ?
O2 C33 1.245(10) . ?
O3 C50 1.250(10) . ?
O4 N7 1.247(12) . ?
O5 N7 1.266(12) . ?
O6 N7 1.256(12) . ?
O7 N8 1.254(11) . ?
O8 N8 1.286(11) . ?
O9 N8 1.229(10) . ?
O10 N9 1.278(11) . ?
O11 N9 1.253(10) . ?
O12 N9 1.220(10) . ?
N1 C7 1.412(11) . ?
N1 C15 1.477(12) . ?
N1 C16 1.382(10) . ?
N2 C8 1.406(10) . ?
N2 C16 1.331(11) . ?
N2 C17 1.471(11) . ?
N3 C24 1.386(11) . ?
N3 C32 1.469(10) . ?
N3 C33 1.378(11) . ?
N4 C25 1.374(11) . ?
N4 C33 1.365(10) . ?
N4 C34 1.473(11) . ?
N5 C42 1.389(10) . ?
N5 C49 1.471(12) . ?
N5 C50 1.354(11) . ?
N6 C41 1.396(11) . ?
N6 C50 1.340(11) . ?
N6 C51 1.471(11) . ?
C1 C2 1.489(14) . ?
C2 C3 1.362(13) . ?
C3 C4 1.431(12) . ?
C4 C5 1.373(14) . ?
C4 C7 1.466(11) . ?
C5 C6 1.515(17) . ?
C7 C8 1.322(13) . ?
C8 C11 1.500(13) . ?
C9 C10 1.494(14) . ?
C10 C11 1.372(13) . ?
C11 C12 1.386(13) . ?
C12 C13 1.372(13) . ?
C13 C14 1.491(15) . ?
C18 C19 1.477(13) . ?
C19 C20 1.350(13) . ?
C20 C21 1.440(12) . ?
C21 C22 1.355(12) . ?
C21 C24 1.476(12) . ?
C22 C23 1.490(13) . ?
C24 C25 1.354(11) . ?
C25 C28 1.468(11) . ?
C26 C27 1.520(13) . ?
C27 C28 1.374(12) . ?
C28 C29 1.409(13) . ?
C29 C30 1.339(12) . ?
C30 C31 1.500(12) . ?
C35 C36 1.497(14) . ?
C36 C37 1.331(13) . ?
C37 C38 1.427(12) . ?
C38 C39 1.367(12) . ?
C38 C41 1.478(12) . ?
C39 C40 1.495(13) . ?
C41 C42 1.386(12) . ?
C42 C46 1.434(12) . ?
C43 C44 1.477(12) . ?
C44 C45 1.373(12) . ?
C45 C46 1.450(11) . ?
C46 C47 1.366(12) . ?
C47 C48 1.503(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 83.3(2) . . ?
O1 Dy1 O4 74.5(2) . . ?
O1 Dy1 O5 85.3(2) . . ?
O1 Dy1 O7 147.1(2) . . ?
O1 Dy1 O8 150.6(2) . . ?
O1 Dy1 O10 126.0(2) . . ?
O1 Dy1 O11 75.0(2) . . ?
O1 Dy1 N7 78.5(2) . . ?
O1 Dy1 N8 162.3(2) . . ?
O1 Dy1 N9 100.3(2) . . ?
O2 Dy1 O1 83.8(2) . . ?
O2 Dy1 O3 84.0(2) . . ?
O2 Dy1 O4 150.8(2) . . ?
O2 Dy1 O5 146.5(2) . . ?
O2 Dy1 O7 125.8(2) . . ?
O2 Dy1 O8 74.2(2) . . ?
O2 Dy1 O10 86.0(2) . . ?
O2 Dy1 O11 74.0(2) . . ?
O2 Dy1 N7 161.2(2) . . ?
O2 Dy1 N8 100.4(2) . . ?
O2 Dy1 N9 79.0(2) . . ?
O3 Dy1 O4 74.4(2) . . ?
O3 Dy1 O5 125.9(2) . . ?
O3 Dy1 O7 85.8(2) . . ?
O3 Dy1 O8 75.3(2) . . ?
O3 Dy1 O10 147.7(2) . . ?
O3 Dy1 O11 150.4(2) . . ?
O3 Dy1 N7 100.0(3) . . ?
O3 Dy1 N8 80.0(2) . . ?
O3 Dy1 N9 162.0(2) . . ?
O4 Dy1 O8 117.5(2) . . ?
O4 Dy1 O11 117.4(2) . . ?
O4 Dy1 N7 25.6(3) . . ?
O4 Dy1 N8 95.0(3) . . ?
O4 Dy1 N9 123.5(2) . . ?
O5 Dy1 O4 51.6(2) . . ?
O5 Dy1 O7 76.2(3) . . ?
O5 Dy1 O8 123.6(2) . . ?
O5 Dy1 O10 75.2(3) . . ?
O5 Dy1 O11 72.7(2) . . ?
O5 Dy1 N7 26.0(3) . . ?
O5 Dy1 N8 99.6(3) . . ?
O5 Dy1 N9 72.0(3) . . ?
O7 Dy1 O4 72.7(2) . . ?
O7 Dy1 O8 51.7(2) . . ?
O7 Dy1 O10 75.5(2) . . ?
O7 Dy1 O11 123.1(2) . . ?
O7 Dy1 N7 73.0(2) . . ?
O7 Dy1 N8 25.4(2) . . ?
O7 Dy1 N9 99.6(3) . . ?
O8 Dy1 O11 115.8(2) . . ?
O8 Dy1 N7 124.7(2) . . ?
O8 Dy1 N8 26.3(2) . . ?
O8 Dy1 N9 94.5(2) . . ?
O10 Dy1 O4 122.5(2) . . ?
O10 Dy1 O8 72.4(2) . . ?
O10 Dy1 O11 51.2(2) . . ?
O10 Dy1 N7 99.3(3) . . ?
O10 Dy1 N8 71.7(2) . . ?
O10 Dy1 N9 25.8(2) . . ?
O11 Dy1 N7 95.2(3) . . ?
O11 Dy1 N8 122.7(2) . . ?
O11 Dy1 N9 25.4(2) . . ?
N7 Dy1 N8 98.5(3) . . ?
N7 Dy1 N9 97.9(3) . . ?
N8 Dy1 N9 97.5(2) . . ?
C2 S1 C5 92.5(5) . . ?
C13 S2 C10 94.1(5) . . ?
C22 S3 C19 93.4(4) . . ?
C27 S4 C30 92.5(4) . . ?
C39 S5 C36 92.8(4) . . ?
C47 S6 C44 93.6(4) . . ?
C16 O1 Dy1 133.8(6) . . ?
C33 O2 Dy1 134.2(5) . . ?
C50 O3 Dy1 131.1(5) . . ?
N7 O4 Dy1 94.9(6) . . ?
N7 O5 Dy1 96.3(6) . . ?
N8 O7 Dy1 97.2(5) . . ?
N8 O8 Dy1 94.4(5) . . ?
N9 O10 Dy1 97.4(5) . . ?
N9 O11 Dy1 95.9(5) . . ?
C7 N1 C15 129.2(7) . . ?
C16 N1 C7 108.1(7) . . ?
C16 N1 C15 122.4(7) . . ?
C8 N2 C17 126.9(7) . . ?
C16 N2 C8 109.7(7) . . ?
C16 N2 C17 121.8(7) . . ?
C24 N3 C32 129.4(7) . . ?
C33 N3 C24 110.5(7) . . ?
C33 N3 C32 119.9(7) . . ?
C25 N4 C34 127.3(7) . . ?
C33 N4 C25 111.3(7) . . ?
C33 N4 C34 120.8(7) . . ?
C42 N5 C49 125.2(8) . . ?
C50 N5 C42 110.6(7) . . ?
C50 N5 C49 123.3(7) . . ?
C41 N6 C51 127.6(8) . . ?
C50 N6 C41 109.6(7) . . ?
C50 N6 C51 122.7(7) . . ?
O4 N7 Dy1 59.5(5) . . ?
O4 N7 O5 117.2(9) . . ?
O4 N7 O6 125.1(11) . . ?
O5 N7 Dy1 57.7(5) . . ?
O6 N7 Dy1 175.3(9) . . ?
O6 N7 O5 117.6(11) . . ?
O7 N8 Dy1 57.3(4) . . ?
O7 N8 O8 116.6(7) . . ?
O8 N8 Dy1 59.3(4) . . ?
O9 N8 Dy1 177.6(7) . . ?
O9 N8 O7 122.5(9) . . ?
O9 N8 O8 120.8(9) . . ?
O10 N9 Dy1 56.8(4) . . ?
O11 N9 Dy1 58.7(4) . . ?
O11 N9 O10 115.5(7) . . ?
O12 N9 Dy1 176.1(7) . . ?
O12 N9 O10 119.7(9) . . ?
O12 N9 O11 124.7(9) . . ?
C1 C2 S1 121.0(9) . . ?
C3 C2 S1 110.9(8) . . ?
C3 C2 C1 128.2(11) . . ?
C2 C3 C4 113.6(9) . . ?
C3 C4 C7 124.1(8) . . ?
C5 C4 C3 111.8(8) . . ?
C5 C4 C7 124.0(9) . . ?
C4 C5 S1 111.2(8) . . ?
C4 C5 C6 129.6(9) . . ?
C6 C5 S1 119.2(8) . . ?
N1 C7 C4 120.1(8) . . ?
C8 C7 N1 107.5(7) . . ?
C8 C7 C4 132.3(8) . . ?
N2 C8 C11 118.9(8) . . ?
C7 C8 N2 107.9(8) . . ?
C7 C8 C11 133.0(8) . . ?
C9 C10 S2 121.1(7) . . ?
C11 C10 S2 108.3(7) . . ?
C11 C10 C9 130.6(9) . . ?
C10 C11 C8 123.4(9) . . ?
C10 C11 C12 114.3(8) . . ?
C12 C11 C8 122.2(8) . . ?
C13 C12 C11 115.0(8) . . ?
C12 C13 S2 108.3(8) . . ?
C12 C13 C14 128.9(9) . . ?
C14 C13 S2 122.8(8) . . ?
O1 C16 N1 124.9(8) . . ?
O1 C16 N2 128.3(8) . . ?
N2 C16 N1 106.8(7) . . ?
C18 C19 S3 121.3(7) . . ?
C20 C19 S3 109.6(7) . . ?
C20 C19 C18 129.1(9) . . ?
C19 C20 C21 114.0(8) . . ?
C20 C21 C24 122.6(8) . . ?
C22 C21 C20 113.1(8) . . ?
C22 C21 C24 124.2(8) . . ?
C21 C22 S3 109.9(7) . . ?
C21 C22 C23 129.4(9) . . ?
C23 C22 S3 120.6(7) . . ?
N3 C24 C21 122.9(7) . . ?
C25 C24 N3 106.9(8) . . ?
C25 C24 C21 130.2(7) . . ?
N4 C25 C28 121.5(7) . . ?
C24 C25 N4 107.2(7) . . ?
C24 C25 C28 131.0(8) . . ?
C26 C27 S4 119.4(6) . . ?
C28 C27 S4 110.2(7) . . ?
C28 C27 C26 130.3(8) . . ?
C27 C28 C25 124.9(8) . . ?
C27 C28 C29 112.1(7) . . ?
C29 C28 C25 123.0(8) . . ?
C30 C29 C28 115.7(9) . . ?
C29 C30 S4 109.5(7) . . ?
C29 C30 C31 128.7(9) . . ?
C31 C30 S4 121.8(7) . . ?
O2 C33 N3 127.7(7) . . ?
O2 C33 N4 128.2(8) . . ?
N4 C33 N3 104.1(7) . . ?
C35 C36 S5 121.4(7) . . ?
C37 C36 S5 109.8(7) . . ?
C37 C36 C35 128.7(9) . . ?
C36 C37 C38 115.2(8) . . ?
C37 C38 C41 123.8(7) . . ?
C39 C38 C37 112.0(8) . . ?
C39 C38 C41 124.1(8) . . ?
C38 C39 S5 110.2(7) . . ?
C38 C39 C40 129.9(9) . . ?
C40 C39 S5 119.9(7) . . ?
N6 C41 C38 123.8(8) . . ?
C42 C41 N6 107.1(7) . . ?
C42 C41 C38 129.0(8) . . ?
N5 C42 C46 123.2(8) . . ?
C41 C42 N5 105.5(7) . . ?
C41 C42 C46 131.2(8) . . ?
C43 C44 S6 123.0(7) . . ?
C45 C44 S6 109.0(6) . . ?
C45 C44 C43 128.0(8) . . ?
C44 C45 C46 114.8(7) . . ?
C42 C46 C45 122.1(7) . . ?
C47 C46 C42 127.5(8) . . ?
C47 C46 C45 110.4(8) . . ?
C46 C47 S6 112.2(7) . . ?
C46 C47 C48 126.6(9) . . ?
C48 C47 S6 121.1(7) . . ?
O3 C50 N5 127.4(8) . . ?
O3 C50 N6 125.4(8) . . ?
N6 C50 N5 107.2(7) . . ?

_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 -0.522 -0.326 0.469 792.9 153.8 None


_olex2_submission_special_instructions 'No special instructions were received'
