# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2088272'
loop_
_audit_author_name
_audit_author_address
'Jinjiang Wu'
;ciac
China
;
_audit_update_record             
;
2021-06-06 deposited with the CCDC.	2021-09-20 downloaded from the CCDC.
;
_audit_creation_date             2021-02-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Dy2(HL)2(SCN)2].2CH3CN-(1)
_chemical_formula_moiety         'C72 H68 Dy2 N10 O6 S2, 2(C2 H3 N)'
_chemical_formula_sum            'C76 H74 Dy2 N12 O6 S2'
_chemical_formula_weight         1640.59
_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 0.0181 0.0091 '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 -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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                   11.6924(4)
_cell_length_b                   12.8898(4)
_cell_length_c                   13.8753(4)
_cell_angle_alpha                96.5470(10)
_cell_angle_beta                 100.2410(10)
_cell_angle_gamma                113.9310(10)
_cell_volume                     1840.25(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9908
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      62.43
_cell_measurement_theta_min      5.28
_shelx_estimated_absorpt_T_max   0.333
_shelx_estimated_absorpt_T_min   0.157
_exptl_absorpt_coefficient_mu    11.744
_exptl_absorpt_correction_T_max  0.7522
_exptl_absorpt_correction_T_min  0.3419
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1370 before and 0.0798 after correction.
The Ratio of minimum to maximum transmission is 0.4545.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             826
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0563
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20505
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        62.424
_diffrn_reflns_theta_max         62.424
_diffrn_reflns_theta_min         3.308
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5379
_reflns_number_total             5779
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.634
_refine_diff_density_min         -1.595
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         5779
_refine_ls_number_restraints     26
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0552
_refine_ls_restrained_S_all      1.072
_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)+(0.0861P)²+12.2164P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1539
_refine_ls_wR_factor_ref         0.1595
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N6-C37
 1.1 with sigma of 0.02
 C37-C38
 1.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C34 \\sim C35 \\sim C36: within 2A with sigma of 0.001 and sigma for terminal
atoms of 0.002 within 2A
N6 \\sim C37 \\sim C38: within 2A with sigma of 0.001 and sigma for terminal
atoms of 0.002 within 2A
4.a Everything fixed:
 H3
4.b Riding coordinates:
 C38(H38a,H38b,H38c)
4.c Secondary CH2 refined with riding coordinates:
 C1(H1a,H1b), C11(H11a,H11b), C15(H15a,H15b), C16(H16a,H16b), C17(H17a,H17b),
 C22(H22a,H22b)
4.d Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C13(H13), C14(H14), C18(H18), C19(H19), C23(H23), C24(H24),
 C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C33(H33), C34(H34),
  C35(H35), C36(H36)
4.e Idealised Me refined as rotating group:
 C31(H31a,H31b,H31c)
;
_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 0.55765(3) 0.52354(3) 0.13900(3) 0.02001(17) Uani 1 1 d . . . . .
S1 S 0.0825(2) 0.2418(2) 0.1222(2) 0.0567(6) Uani 1 1 d . . . . .
O1 O 0.5373(4) 0.4127(4) -0.0096(3) 0.0228(10) Uani 1 1 d . . . . .
O2 O 0.5505(5) 0.5529(4) 0.2958(3) 0.0273(11) Uani 1 1 d . . . . .
O3 O 0.6847(4) 0.7121(4) 0.1851(4) 0.0306(11) Uani 1 1 d . . . . .
H3 H 0.739210 0.722800 0.239490 0.050 Uiso 1 1 d . . . . .
N1 N 0.5796(5) 0.3456(5) 0.1998(4) 0.0241(12) Uani 1 1 d . . . . .
N4 N 0.7143(5) 0.7823(5) 0.3872(4) 0.0276(13) Uani 1 1 d . . . . .
N2 N 0.7788(5) 0.5290(5) 0.1530(4) 0.0234(12) Uani 1 1 d . . . . .
N3 N 0.3310(5) 0.3968(5) 0.1182(4) 0.0272(13) Uani 1 1 d . . . . .
C1 C 0.5038(6) 0.2445(6) 0.1149(5) 0.0237(14) Uani 1 1 d . . . . .
H1A H 0.417035 0.241171 0.091532 0.028 Uiso 1 1 calc R U . . .
H1B H 0.492119 0.172730 0.139769 0.028 Uiso 1 1 calc R U . . .
C2 C 0.5858(7) 0.4133(6) 0.3795(5) 0.0263(15) Uani 1 1 d . . . . .
C3 C 0.5635(6) 0.2462(6) 0.0266(5) 0.0249(15) Uani 1 1 d . . . . .
C4 C 0.6335(7) 0.3294(6) -0.1115(5) 0.0272(15) Uani 1 1 d . . . . .
H4 H 0.646344 0.388219 -0.149575 0.033 Uiso 1 1 calc R U . . .
C5 C 0.6992(7) 0.5828(7) 0.5562(5) 0.0322(17) Uani 1 1 d . . . . .
H5 H 0.737960 0.640467 0.616213 0.039 Uiso 1 1 calc R U . . .
C6 C 0.5777(6) 0.3316(6) -0.0307(5) 0.0227(14) Uani 1 1 d . . . . .
C7 C 0.5945(6) 0.5244(6) 0.3787(5) 0.0227(14) Uani 1 1 d . . . . .
C8 C 0.6986(7) 0.8946(6) 0.2531(6) 0.0303(16) Uani 1 1 d . . . . .
C9 C 0.6922(7) 0.4729(8) 0.5571(6) 0.0363(19) Uani 1 1 d . . . . .
C10 C 0.2278(7) 0.3327(6) 0.1210(5) 0.0296(16) Uani 1 1 d . . . . .
C11 C 0.5178(7) 0.3201(6) 0.2860(5) 0.0279(16) Uani 1 1 d . . . . .
H11A H 0.427487 0.309138 0.265191 0.033 Uiso 1 1 calc R U . . .
H11B H 0.515475 0.246252 0.301465 0.033 Uiso 1 1 calc R U . . .
C12 C 0.6500(7) 0.6097(6) 0.4683(5) 0.0291(16) Uani 1 1 d . . . . .
C13 C 0.8638(7) 0.6082(6) 0.1153(5) 0.0282(16) Uani 1 1 d . . . . .
H13 H 0.846539 0.670615 0.098153 0.034 Uiso 1 1 calc R U . . .
C14 C 0.6707(8) 0.2416(7) -0.1370(6) 0.0373(18) Uani 1 1 d . . . . .
H14 H 0.708456 0.240816 -0.192168 0.045 Uiso 1 1 calc R U . . .
C15 C 0.6447(7) 0.8474(7) 0.3372(6) 0.0343(17) Uani 1 1 d . . . . .
H15A H 0.551866 0.794213 0.311135 0.041 Uiso 1 1 calc R U . . .
H15B H 0.652475 0.912184 0.387773 0.041 Uiso 1 1 calc R U . . .
C16 C 0.7138(7) 0.3610(6) 0.2306(5) 0.0265(15) Uani 1 1 d . . . . .
H16A H 0.714448 0.284107 0.217350 0.032 Uiso 1 1 calc R U . . .
H16B H 0.746442 0.392271 0.303673 0.032 Uiso 1 1 calc R U . . .
C17 C 0.6479(8) 0.7240(7) 0.4643(6) 0.0352(18) Uani 1 1 d . . . . .
H17A H 0.691284 0.775848 0.531167 0.042 Uiso 1 1 calc R U . . .
H17B H 0.557162 0.712689 0.448027 0.042 Uiso 1 1 calc R U . . .
C18 C 0.7936(7) 0.9823(7) 0.0968(6) 0.0357(18) Uani 1 1 d . . . . .
H18 H 0.826132 1.012126 0.042835 0.043 Uiso 1 1 calc R U . . .
C19 C 0.9754(7) 0.6038(7) 0.1001(6) 0.0353(18) Uani 1 1 d . . . . .
H19 H 1.033662 0.661868 0.073345 0.042 Uiso 1 1 calc R U . . .
C20 C 0.7137(6) 0.8204(6) 0.1783(5) 0.0257(15) Uani 1 1 d . . . . .
C21 C 0.8045(7) 0.4411(6) 0.1778(5) 0.0259(15) Uani 1 1 d . . . . .
C22 C 0.8551(7) 0.8583(7) 0.4291(6) 0.0373(18) Uani 1 1 d . . . . .
H22A H 0.890998 0.899447 0.377627 0.045 Uiso 1 1 calc R U . . .
H22B H 0.866760 0.917260 0.486996 0.045 Uiso 1 1 calc R U . . .
C23 C 0.6373(7) 0.3908(7) 0.4684(5) 0.0295(16) Uani 1 1 d . . . . .
H23 H 0.634677 0.316150 0.468458 0.035 Uiso 1 1 calc R U . . .
C24 C 0.7627(7) 0.8678(6) 0.1006(6) 0.0296(16) Uani 1 1 d . . . . .
H24 H 0.774971 0.820443 0.049524 0.035 Uiso 1 1 calc R U . . .
C25 C 0.9134(7) 0.4301(7) 0.1636(5) 0.0319(17) Uani 1 1 d . . . . .
H25 H 0.927870 0.366320 0.180429 0.038 Uiso 1 1 calc R U . . .
C26 C 1.0008(7) 0.5120(7) 0.1250(6) 0.0344(18) Uani 1 1 d . . . . .
H26 H 1.076676 0.506190 0.115587 0.041 Uiso 1 1 calc R U . . .
C27 C 0.7311(8) 1.0098(7) 0.2471(6) 0.0371(18) Uani 1 1 d . . . . .
H27 H 0.720241 1.058776 0.297660 0.045 Uiso 1 1 calc R U . . .
C28 C 0.6011(7) 0.1596(7) -0.0002(6) 0.0330(17) Uani 1 1 d . . . . .
H28 H 0.591149 0.101631 0.038404 0.040 Uiso 1 1 calc R U . . .
C29 C 0.7784(8) 1.0542(7) 0.1695(6) 0.0371(18) Uani 1 1 d . . . . .
H29 H 0.800255 1.132917 0.166148 0.045 Uiso 1 1 calc R U . . .
C30 C 0.9317(9) 0.7141(9) 0.3871(7) 0.054(3) Uani 1 1 d . . . . .
H30 H 0.893393 0.707140 0.318895 0.065 Uiso 1 1 calc R U . . .
C31 C 0.7430(9) 0.4457(9) 0.6542(6) 0.045(2) Uani 1 1 d . . . . .
H31A H 0.834618 0.498954 0.680788 0.068 Uiso 1 1 calc R U . . .
H31B H 0.732755 0.365659 0.642052 0.068 Uiso 1 1 calc R U . . .
H31C H 0.694501 0.454856 0.702725 0.068 Uiso 1 1 calc R U . . .
C32 C 0.9273(7) 0.7914(7) 0.4615(6) 0.0394(19) Uani 1 1 d . . . . .
C33 C 0.6525(8) 0.1567(7) -0.0820(7) 0.0403(19) Uani 1 1 d . . . . .
H33 H 0.675364 0.095730 -0.100395 0.048 Uiso 1 1 calc R U . . .
N5 N 0.9794(9) 0.8046(8) 0.5607(7) 0.071(3) Uani 1 1 d . . . . .
C34 C 1.0445(12) 0.7329(11) 0.5803(11) 0.085(2) Uani 1 1 d . U . . .
H34 H 1.085852 0.739486 0.647659 0.103 Uiso 1 1 calc R U . . .
C35 C 1.0499(12) 0.6574(11) 0.5087(11) 0.085(2) Uani 1 1 d . U . . .
H35 H 1.093727 0.611297 0.524840 0.103 Uiso 1 1 calc R U . . .
C36 C 0.9919(12) 0.6485(11) 0.4139(11) 0.085(2) Uani 1 1 d . U . . .
H36 H 0.993249 0.593292 0.363152 0.103 Uiso 1 1 calc R U . . .
C37 C 1.102(3) 0.981(2) 0.2368(16) 0.181(6) Uani 1 1 d D U . . .
N6 N 1.117(2) 0.9789(17) 0.1555(15) 0.181(6) Uani 1 1 d D U . . .
C38 C 1.131(3) 0.996(2) 0.3430(16) 0.183(6) Uani 1 1 d D U . . .
H38A H 1.075683 0.924835 0.362176 0.274 Uiso 1 1 d R U . . .
H38B H 1.115952 1.060695 0.371886 0.274 Uiso 1 1 d R U . . .
H38C H 1.221633 1.012325 0.367876 0.274 Uiso 1 1 d R U . . .


_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 Dy1 3.7440(7) 2_665 ?
Dy1 O1 2.287(4) . ?
Dy1 O1 2.345(4) 2_665 ?
Dy1 O2 2.188(5) . ?
Dy1 O3 2.214(5) . ?
Dy1 N1 2.623(6) . ?
Dy1 N2 2.530(6) . ?
Dy1 N3 2.426(6) . ?
S1 C10 1.631(8) . ?
O1 C6 1.334(8) . ?
O2 C7 1.327(8) . ?
O3 H3 0.8538 . ?
O3 C20 1.316(9) . ?
N1 C1 1.488(9) . ?
N1 C11 1.505(9) . ?
N1 C16 1.474(9) . ?
N4 C15 1.527(10) . ?
N4 C17 1.522(9) . ?
N4 C22 1.492(10) . ?
N2 C13 1.337(9) . ?
N2 C21 1.349(9) . ?
N3 C10 1.164(9) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C3 1.513(10) . ?
C2 C7 1.396(10) . ?
C2 C11 1.504(10) . ?
C2 C23 1.389(10) . ?
C3 C6 1.404(10) . ?
C3 C28 1.392(11) . ?
C4 H4 0.9500 . ?
C4 C6 1.397(10) . ?
C4 C14 1.399(11) . ?
C5 H5 0.9500 . ?
C5 C9 1.387(12) . ?
C5 C12 1.396(10) . ?
C7 C12 1.413(10) . ?
C8 C15 1.497(11) . ?
C8 C20 1.413(11) . ?
C8 C27 1.392(11) . ?
C9 C23 1.385(11) . ?
C9 C31 1.511(11) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C17 1.491(11) . ?
C13 H13 0.9500 . ?
C13 C19 1.381(11) . ?
C14 H14 0.9500 . ?
C14 C33 1.373(12) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C21 1.513(10) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18 0.9500 . ?
C18 C24 1.379(11) . ?
C18 C29 1.375(12) . ?
C19 H19 0.9500 . ?
C19 C26 1.396(11) . ?
C20 C24 1.397(10) . ?
C21 C25 1.382(10) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C32 1.484(12) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.376(11) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C27 C29 1.374(12) . ?
C28 H28 0.9500 . ?
C28 C33 1.379(12) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C30 C32 1.373(13) . ?
C30 C36 1.345(16) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 N5 1.364(12) . ?
C33 H33 0.9500 . ?
N5 C34 1.435(16) . ?
C34 H34 0.9500 . ?
C34 C35 1.338(19) . ?
C35 H35 0.9500 . ?
C35 C36 1.337(19) . ?
C36 H36 0.9500 . ?
C37 N6 1.171(16) . ?
C37 C38 1.424(18) . ?
C38 H38A 0.9796 . ?
C38 H38B 0.9798 . ?
C38 H38C 0.9801 . ?

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 Dy1 36.60(11) . 2_665 ?
O1 Dy1 Dy1 35.55(11) 2_665 2_665 ?
O1 Dy1 O1 72.15(18) . 2_665 ?
O1 Dy1 N1 146.08(17) 2_665 . ?
O1 Dy1 N1 79.12(16) . . ?
O1 Dy1 N2 121.88(17) 2_665 . ?
O1 Dy1 N2 76.04(17) . . ?
O1 Dy1 N3 85.36(18) . . ?
O1 Dy1 N3 79.31(18) 2_665 . ?
O2 Dy1 Dy1 157.03(13) . 2_665 ?
O2 Dy1 O1 154.46(17) . . ?
O2 Dy1 O1 126.16(17) . 2_665 ?
O2 Dy1 O3 79.97(18) . . ?
O2 Dy1 N1 77.15(18) . . ?
O2 Dy1 N2 102.36(18) . . ?
O2 Dy1 N3 81.69(19) . . ?
O3 Dy1 Dy1 103.71(13) . 2_665 ?
O3 Dy1 O1 123.59(17) . . ?
O3 Dy1 O1 80.72(17) . 2_665 ?
O3 Dy1 N1 131.42(18) . . ?
O3 Dy1 N2 78.25(18) . . ?
O3 Dy1 N3 136.9(2) . . ?
N1 Dy1 Dy1 113.86(13) . 2_665 ?
N2 Dy1 Dy1 100.57(12) . 2_665 ?
N2 Dy1 N1 65.86(18) . . ?
N3 Dy1 Dy1 80.46(14) . 2_665 ?
N3 Dy1 N1 80.79(19) . . ?
N3 Dy1 N2 144.12(19) . . ?
Dy1 O1 Dy1 107.85(18) . 2_665 ?
C6 O1 Dy1 131.6(4) . . ?
C6 O1 Dy1 120.3(4) . 2_665 ?
C7 O2 Dy1 136.0(4) . . ?
Dy1 O3 H3 107.3 . . ?
C20 O3 Dy1 152.0(4) . . ?
C20 O3 H3 100.0 . . ?
C1 N1 Dy1 106.1(4) . . ?
C1 N1 C11 107.3(5) . . ?
C11 N1 Dy1 109.8(4) . . ?
C16 N1 Dy1 114.2(4) . . ?
C16 N1 C1 110.5(5) . . ?
C16 N1 C11 108.7(5) . . ?
C17 N4 C15 110.8(6) . . ?
C22 N4 C15 111.9(6) . . ?
C22 N4 C17 112.9(6) . . ?
C13 N2 Dy1 118.8(5) . . ?
C13 N2 C21 118.0(6) . . ?
C21 N2 Dy1 121.8(4) . . ?
C10 N3 Dy1 170.5(6) . . ?
N1 C1 H1A 108.6 . . ?
N1 C1 H1B 108.6 . . ?
N1 C1 C3 114.8(5) . . ?
H1A C1 H1B 107.5 . . ?
C3 C1 H1A 108.6 . . ?
C3 C1 H1B 108.6 . . ?
C7 C2 C11 119.8(6) . . ?
C23 C2 C7 118.6(7) . . ?
C23 C2 C11 121.5(7) . . ?
C6 C3 C1 120.9(6) . . ?
C28 C3 C1 119.6(6) . . ?
C28 C3 C6 119.5(7) . . ?
C6 C4 H4 119.6 . . ?
C6 C4 C14 120.7(7) . . ?
C14 C4 H4 119.6 . . ?
C9 C5 H5 119.6 . . ?
C9 C5 C12 120.8(7) . . ?
C12 C5 H5 119.6 . . ?
O1 C6 C3 120.9(6) . . ?
O1 C6 C4 120.3(6) . . ?
C4 C6 C3 118.8(6) . . ?
O2 C7 C2 121.9(6) . . ?
O2 C7 C12 118.3(6) . . ?
C2 C7 C12 119.9(6) . . ?
C20 C8 C15 119.4(7) . . ?
C27 C8 C15 120.5(7) . . ?
C27 C8 C20 120.1(7) . . ?
C5 C9 C31 119.5(7) . . ?
C23 C9 C5 118.6(7) . . ?
C23 C9 C31 121.9(8) . . ?
N3 C10 S1 178.8(7) . . ?
N1 C11 H11A 108.7 . . ?
N1 C11 H11B 108.7 . . ?
C2 C11 N1 114.1(6) . . ?
C2 C11 H11A 108.7 . . ?
C2 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C5 C12 C7 119.5(7) . . ?
C5 C12 C17 123.1(7) . . ?
C7 C12 C17 117.4(6) . . ?
N2 C13 H13 118.4 . . ?
N2 C13 C19 123.2(7) . . ?
C19 C13 H13 118.4 . . ?
C4 C14 H14 120.1 . . ?
C33 C14 C4 119.8(7) . . ?
C33 C14 H14 120.1 . . ?
N4 C15 H15A 109.2 . . ?
N4 C15 H15B 109.2 . . ?
C8 C15 N4 112.2(6) . . ?
C8 C15 H15A 109.2 . . ?
C8 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
N1 C16 H16A 108.8 . . ?
N1 C16 H16B 108.8 . . ?
N1 C16 C21 113.8(5) . . ?
H16A C16 H16B 107.7 . . ?
C21 C16 H16A 108.8 . . ?
C21 C16 H16B 108.8 . . ?
N4 C17 H17A 109.0 . . ?
N4 C17 H17B 109.0 . . ?
C12 C17 N4 112.8(6) . . ?
C12 C17 H17A 109.0 . . ?
C12 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
C24 C18 H18 119.2 . . ?
C29 C18 H18 119.2 . . ?
C29 C18 C24 121.5(7) . . ?
C13 C19 H19 120.7 . . ?
C13 C19 C26 118.5(7) . . ?
C26 C19 H19 120.7 . . ?
O3 C20 C8 119.9(6) . . ?
O3 C20 C24 122.6(7) . . ?
C24 C20 C8 117.4(7) . . ?
N2 C21 C16 116.3(6) . . ?
N2 C21 C25 122.0(7) . . ?
C25 C21 C16 121.4(6) . . ?
N4 C22 H22A 109.2 . . ?
N4 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C32 C22 N4 112.2(6) . . ?
C32 C22 H22A 109.2 . . ?
C32 C22 H22B 109.2 . . ?
C2 C23 H23 118.7 . . ?
C9 C23 C2 122.5(7) . . ?
C9 C23 H23 118.7 . . ?
C18 C24 C20 120.9(7) . . ?
C18 C24 H24 119.5 . . ?
C20 C24 H24 119.5 . . ?
C21 C25 H25 120.1 . . ?
C26 C25 C21 119.8(7) . . ?
C26 C25 H25 120.1 . . ?
C19 C26 H26 120.8 . . ?
C25 C26 C19 118.4(7) . . ?
C25 C26 H26 120.8 . . ?
C8 C27 H27 119.3 . . ?
C29 C27 C8 121.4(8) . . ?
C29 C27 H27 119.3 . . ?
C3 C28 H28 119.5 . . ?
C33 C28 C3 121.1(7) . . ?
C33 C28 H28 119.5 . . ?
C18 C29 H29 120.7 . . ?
C27 C29 C18 118.6(7) . . ?
C27 C29 H29 120.7 . . ?
C32 C30 H30 121.0 . . ?
C36 C30 H30 121.0 . . ?
C36 C30 C32 117.9(10) . . ?
C9 C31 H31A 109.5 . . ?
C9 C31 H31B 109.5 . . ?
C9 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 C22 116.1(8) . . ?
N5 C32 C22 120.1(9) . . ?
N5 C32 C30 123.7(9) . . ?
C14 C33 C28 120.2(7) . . ?
C14 C33 H33 119.9 . . ?
C28 C33 H33 119.9 . . ?
C32 N5 C34 113.5(10) . . ?
N5 C34 H34 118.3 . . ?
C35 C34 N5 123.4(13) . . ?
C35 C34 H34 118.3 . . ?
C34 C35 H35 120.9 . . ?
C36 C35 C34 118.2(13) . . ?
C36 C35 H35 120.9 . . ?
C30 C36 H36 118.5 . . ?
C35 C36 C30 123.1(14) . . ?
C35 C36 H36 118.5 . . ?
N6 C37 C38 160(3) . . ?
C37 C38 H38A 110.1 . . ?
C37 C38 H38B 109.3 . . ?
C37 C38 H38C 109.0 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C6 C3 44.0(9) . . . . ?
Dy1 O1 C6 C3 -142.4(5) 2_665 . . . ?
Dy1 O1 C6 C4 36.8(8) 2_665 . . . ?
Dy1 O1 C6 C4 -136.9(5) . . . . ?
Dy1 O2 C7 C2 -43.5(9) . . . . ?
Dy1 O2 C7 C12 137.3(6) . . . . ?
Dy1 O3 C20 C8 105.2(10) . . . . ?
Dy1 O3 C20 C24 -76.4(12) . . . . ?
Dy1 N1 C1 C3 71.6(6) . . . . ?
Dy1 N1 C11 C2 -66.7(6) . . . . ?
Dy1 N1 C16 C21 -28.4(7) . . . . ?
Dy1 N2 C13 C19 -166.1(6) . . . . ?
Dy1 N2 C21 C16 -20.5(8) . . . . ?
Dy1 N2 C21 C25 164.9(5) . . . . ?
O2 C7 C12 C5 -178.9(6) . . . . ?
O2 C7 C12 C17 3.6(9) . . . . ?
O3 C20 C24 C18 -179.1(7) . . . . ?
N1 C1 C3 C6 -65.5(8) . . . . ?
N1 C1 C3 C28 116.6(7) . . . . ?
N1 C16 C21 N2 32.5(9) . . . . ?
N1 C16 C21 C25 -152.8(7) . . . . ?
N4 C22 C32 C30 65.4(10) . . . . ?
N4 C22 C32 N5 -111.5(9) . . . . ?
N2 C13 C19 C26 0.2(11) . . . . ?
N2 C21 C25 C26 1.4(11) . . . . ?
C1 N1 C11 C2 178.4(6) . . . . ?
C1 N1 C16 C21 91.1(7) . . . . ?
C1 C3 C6 O1 -0.9(10) . . . . ?
C1 C3 C6 C4 180.0(6) . . . . ?
C1 C3 C28 C33 178.1(7) . . . . ?
C2 C7 C12 C5 1.9(10) . . . . ?
C2 C7 C12 C17 -175.6(6) . . . . ?
C3 C28 C33 C14 1.8(12) . . . . ?
C4 C14 C33 C28 -1.8(13) . . . . ?
C5 C9 C23 C2 -1.8(11) . . . . ?
C5 C12 C17 N4 125.0(7) . . . . ?
C6 C3 C28 C33 0.3(11) . . . . ?
C6 C4 C14 C33 -0.1(12) . . . . ?
C7 C2 C11 N1 62.5(9) . . . . ?
C7 C2 C23 C9 2.6(10) . . . . ?
C7 C12 C17 N4 -57.5(9) . . . . ?
C8 C20 C24 C18 -0.7(10) . . . . ?
C8 C27 C29 C18 0.0(12) . . . . ?
C9 C5 C12 C7 -1.1(11) . . . . ?
C9 C5 C12 C17 176.3(7) . . . . ?
C11 N1 C1 C3 -171.0(6) . . . . ?
C11 N1 C16 C21 -151.4(6) . . . . ?
C11 C2 C7 O2 -3.8(10) . . . . ?
C11 C2 C7 C12 175.4(6) . . . . ?
C11 C2 C23 C9 -175.4(7) . . . . ?
C12 C5 C9 C23 1.1(11) . . . . ?
C12 C5 C9 C31 -178.3(7) . . . . ?
C13 N2 C21 C16 173.4(6) . . . . ?
C13 N2 C21 C25 -1.2(10) . . . . ?
C13 C19 C26 C25 0.0(11) . . . . ?
C14 C4 C6 O1 -177.1(7) . . . . ?
C14 C4 C6 C3 2.1(10) . . . . ?
C15 N4 C17 C12 144.0(7) . . . . ?
C15 N4 C22 C32 -169.9(6) . . . . ?
C15 C8 C20 O3 -2.4(10) . . . . ?
C15 C8 C20 C24 179.2(6) . . . . ?
C15 C8 C27 C29 -178.8(7) . . . . ?
C16 N1 C1 C3 -52.7(7) . . . . ?
C16 N1 C11 C2 58.9(8) . . . . ?
C16 C21 C25 C26 -173.0(7) . . . . ?
C17 N4 C15 C8 -173.6(6) . . . . ?
C17 N4 C22 C32 64.3(9) . . . . ?
C20 C8 C15 N4 50.6(9) . . . . ?
C20 C8 C27 C29 -0.2(12) . . . . ?
C21 N2 C13 C19 0.4(10) . . . . ?
C21 C25 C26 C19 -0.7(11) . . . . ?
C22 N4 C15 C8 59.4(8) . . . . ?
C22 N4 C17 C12 -89.6(8) . . . . ?
C22 C32 N5 C34 179.1(9) . . . . ?
C23 C2 C7 O2 178.2(6) . . . . ?
C23 C2 C7 C12 -2.6(10) . . . . ?
C23 C2 C11 N1 -119.6(7) . . . . ?
C24 C18 C29 C27 -0.1(12) . . . . ?
C27 C8 C15 N4 -130.8(7) . . . . ?
C27 C8 C20 O3 179.0(7) . . . . ?
C27 C8 C20 C24 0.6(10) . . . . ?
C28 C3 C6 O1 177.0(6) . . . . ?
C28 C3 C6 C4 -2.2(10) . . . . ?
C29 C18 C24 C20 0.5(12) . . . . ?
C30 C32 N5 C34 2.3(14) . . . . ?
C31 C9 C23 C2 177.5(7) . . . . ?
C32 C30 C36 C35 -1.7(19) . . . . ?
C32 N5 C34 C35 -2.2(18) . . . . ?
N5 C34 C35 C36 0(2) . . . . ?
C34 C35 C36 C30 2(2) . . . . ?
C36 C30 C32 C22 -177.4(10) . . . . ?
C36 C30 C32 N5 -0.6(16) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2088273'
loop_
_audit_author_name
_audit_author_address
'Jinjiang Wu'
;ciac
China
;
_audit_update_record             
;
2021-06-06 deposited with the CCDC.	2021-09-20 downloaded from the CCDC.
;
_audit_creation_date             2021-02-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Dy2(HL)2(NO3)2].2CH3CN.2H2O (2)'
_chemical_formula_moiety         'C70 H68 Dy2 N10 O12, 2(C2 H3 N), 2(O)'
_chemical_formula_sum            'C74 H74 Dy2 N12 O14'
_chemical_formula_weight         1680.45
_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'

_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                   14.6039(9)
_cell_length_b                   15.8167(9)
_cell_length_c                   16.5425(10)
_cell_angle_alpha                90
_cell_angle_beta                 107.585(2)
_cell_angle_gamma                90
_cell_volume                     3642.5(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9303
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.023
_cell_measurement_theta_min      2.575
_shelx_estimated_absorpt_T_max   0.678
_shelx_estimated_absorpt_T_min   0.364
_exptl_absorpt_coefficient_mu    2.108
_exptl_absorpt_correction_T_max  0.656
_exptl_absorpt_correction_T_min  0.378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1692
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_unetI/netI     0.0178
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            74904
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.037
_diffrn_reflns_theta_max         25.037
_diffrn_reflns_theta_min         1.949
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5760
_reflns_number_total             6430
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.992
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         6430
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0227
_refine_ls_restrained_S_all      1.297
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0169P)²+6.3464P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0521
_refine_ls_wR_factor_ref         0.0561
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O3-H3
 0.84 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O7) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4.a Everything fixed:
 O7
4.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C4(H4A,H4B), C12(H12A,H12B), C15(H15A,H15B), C22(H22A,H22B),
 C25(H25A,H25B)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3A), C11(H11), C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19),
  C21(H21), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31),
 C32(H32), C33(H33), C34(H34)
4.d Idealised Me refined as rotating group:
 C35(H35A,H35B,H35C), C37(H37A,H37B,H37C)
;
_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
Dy01 Dy 0.58002(2) 0.40633(2) 0.50385(2) 0.01812(5) Uani 1 1 d . . . . .
O2 O 0.72850(13) 0.45745(12) 0.54286(12) 0.0224(4) Uani 1 1 d . . . . .
O1 O 0.45954(13) 0.46006(12) 0.55063(12) 0.0197(4) Uani 1 1 d . . . . .
O5 O 0.41249(16) 0.37493(14) 0.38672(14) 0.0310(5) Uani 1 1 d . . . . .
O3 O 0.62164(15) 0.37528(13) 0.38933(13) 0.0255(4) Uani 1 1 d D . . . .
O4 O 0.48012(15) 0.28017(13) 0.47921(14) 0.0304(5) Uani 1 1 d . . . . .
N5 N 0.40893(18) 0.30266(16) 0.41672(16) 0.0279(6) Uani 1 1 d . . . . .
O6 O 0.34076(16) 0.25475(16) 0.38837(16) 0.0432(6) Uani 1 1 d . . . . .
N1 N 0.64287(17) 0.39587(15) 0.67666(15) 0.0221(5) Uani 1 1 d . . . . .
N3 N 0.81367(17) 0.40382(15) 0.41999(15) 0.0237(5) Uani 1 1 d . . . . .
N2 N 0.67512(17) 0.27350(15) 0.56317(16) 0.0254(5) Uani 1 1 d . . . . .
C1 C 0.8174(2) 0.42496(18) 0.68525(19) 0.0241(6) Uani 1 1 d . . . . .
N4 N 0.9505(2) 0.37480(18) 0.32152(19) 0.0365(7) Uani 1 1 d . . . . .
C2 C 0.7317(2) 0.44743(19) 0.71332(19) 0.0261(6) Uani 1 1 d . . . . .
H2A H 0.750359 0.442472 0.775850 0.031 Uiso 1 1 calc R U . . .
H2B H 0.715596 0.507481 0.698922 0.031 Uiso 1 1 calc R U . . .
C3 C 0.7013(2) 0.22022(19) 0.5105(2) 0.0316(7) Uani 1 1 d . . . . .
H3A H 0.681399 0.232745 0.451594 0.038 Uiso 1 1 calc R U . . .
C4 C 0.5708(2) 0.4310(2) 0.71626(19) 0.0269(7) Uani 1 1 d . . . . .
H4A H 0.594279 0.421135 0.778221 0.032 Uiso 1 1 calc R U . . .
H4B H 0.565923 0.492885 0.706873 0.032 Uiso 1 1 calc R U . . .
C5 C 0.8105(2) 0.43687(17) 0.59961(18) 0.0215(6) Uani 1 1 d . . . . .
C6 C 0.7031(2) 0.25504(19) 0.6462(2) 0.0263(7) Uani 1 1 d . . . . .
C7 C 0.4730(2) 0.39281(19) 0.68169(19) 0.0249(6) Uani 1 1 d . . . . .
C8 C 0.4197(2) 0.41068(17) 0.59770(18) 0.0205(6) Uani 1 1 d . . . . .
C9 C 0.6892(2) 0.40310(19) 0.27900(19) 0.0250(6) Uani 1 1 d . . . . .
C10 C 0.8940(2) 0.42996(18) 0.5741(2) 0.0256(6) Uani 1 1 d . . . . .
C11 C 0.7610(2) 0.1850(2) 0.6785(2) 0.0344(8) Uani 1 1 d . . . . .
H11 H 0.782610 0.174503 0.737818 0.041 Uiso 1 1 calc R U . . .
C12 C 0.6620(2) 0.30701(19) 0.70273(19) 0.0284(7) Uani 1 1 d . . . . .
H12A H 0.601231 0.280585 0.704527 0.034 Uiso 1 1 calc R U . . .
H12B H 0.707262 0.305562 0.760953 0.034 Uiso 1 1 calc R U . . .
C13 C 0.9060(2) 0.40495(19) 0.7428(2) 0.0308(7) Uani 1 1 d . . . . .
H13 H 0.910073 0.396259 0.800635 0.037 Uiso 1 1 calc R U . . .
C14 C 0.6875(2) 0.3922(2) 0.1954(2) 0.0357(8) Uani 1 1 d . . . . .
H14 H 0.738385 0.414265 0.176958 0.043 Uiso 1 1 calc R U . . .
C15 C 0.7679(2) 0.45296(19) 0.33917(19) 0.0254(6) Uani 1 1 d . . . . .
H15A H 0.741354 0.506650 0.353244 0.030 Uiso 1 1 calc R U . . .
H15B H 0.817425 0.466945 0.311581 0.030 Uiso 1 1 calc R U . . .
C16 C 0.9814(2) 0.4096(2) 0.6334(2) 0.0311(7) Uani 1 1 d . . . . .
H16 H 1.037034 0.403999 0.615310 0.037 Uiso 1 1 calc R U . . .
C17 C 0.7864(3) 0.1315(2) 0.6234(2) 0.0414(9) Uani 1 1 d . . . . .
H17 H 0.824865 0.083098 0.644191 0.050 Uiso 1 1 calc R U . . .
C18 C 0.6126(3) 0.3495(3) 0.1384(2) 0.0476(10) Uani 1 1 d . . . . .
H18 H 0.612286 0.341257 0.081417 0.057 Uiso 1 1 calc R U . . .
C19 C 0.5380(3) 0.3190(3) 0.1659(2) 0.0450(9) Uani 1 1 d . . . . .
H19 H 0.485429 0.291144 0.126803 0.054 Uiso 1 1 calc R U . . .
C20 C 0.9486(2) 0.32623(19) 0.3867(2) 0.0279(7) Uani 1 1 d . . . . .
C21 C 0.7553(3) 0.1487(2) 0.5376(2) 0.0398(8) Uani 1 1 d . . . . .
H21 H 0.770789 0.111955 0.498270 0.048 Uiso 1 1 calc R U . . .
C22 C 0.8547(2) 0.31999(19) 0.4069(2) 0.0267(7) Uani 1 1 d . . . . .
H22A H 0.807404 0.290108 0.359879 0.032 Uiso 1 1 calc R U . . .
H22B H 0.864632 0.285548 0.458803 0.032 Uiso 1 1 calc R U . . .
C23 C 0.6151(2) 0.36948(19) 0.30785(19) 0.0250(6) Uani 1 1 d . . . . .
C24 C 0.9892(2) 0.3972(2) 0.7184(2) 0.0333(7) Uani 1 1 d . . . . .
C25 C 0.8850(2) 0.4566(2) 0.48557(19) 0.0267(7) Uani 1 1 d . . . . .
H25A H 0.948689 0.452251 0.476186 0.032 Uiso 1 1 calc R U . . .
H25B H 0.864852 0.516568 0.478204 0.032 Uiso 1 1 calc R U . . .
C26 C 0.3407(2) 0.3095(2) 0.6975(2) 0.0394(8) Uani 1 1 d . . . . .
H26 H 0.313490 0.275600 0.731812 0.047 Uiso 1 1 calc R U . . .
C27 C 0.4320(2) 0.3423(2) 0.7305(2) 0.0365(8) Uani 1 1 d . . . . .
H27 H 0.467614 0.330122 0.787572 0.044 Uiso 1 1 calc R U . . .
C28 C 0.3277(2) 0.37650(18) 0.56395(19) 0.0236(6) Uani 1 1 d . . . . .
H28 H 0.291735 0.387611 0.506716 0.028 Uiso 1 1 calc R U . . .
C29 C 0.5391(2) 0.3285(2) 0.2491(2) 0.0337(7) Uani 1 1 d . . . . .
H29 H 0.487344 0.306953 0.266532 0.040 Uiso 1 1 calc R U . . .
C30 C 0.2891(2) 0.3264(2) 0.6142(2) 0.0312(7) Uani 1 1 d . . . . .
H30 H 0.226530 0.303436 0.591149 0.037 Uiso 1 1 calc R U . . .
C31 C 1.0277(2) 0.2818(2) 0.4339(2) 0.0409(8) Uani 1 1 d . . . . .
H31 H 1.023918 0.247122 0.479666 0.049 Uiso 1 1 calc R U . . .
C32 C 1.1129(3) 0.2883(3) 0.4137(3) 0.0495(10) Uani 1 1 d . . . . .
H32 H 1.168047 0.257155 0.444507 0.059 Uiso 1 1 calc R U . . .
C33 C 1.1162(3) 0.3401(2) 0.3491(3) 0.0452(10) Uani 1 1 d . . . . .
H33 H 1.174106 0.347089 0.334901 0.054 Uiso 1 1 calc R U . . .
C34 C 1.0350(3) 0.3818(2) 0.3051(3) 0.0436(9) Uani 1 1 d . . . . .
H34 H 1.038036 0.418003 0.260132 0.052 Uiso 1 1 calc R U . . .
C35 C 1.0860(3) 0.3820(3) 0.7834(3) 0.0493(10) Uani 1 1 d . . . . .
H35A H 1.116662 0.436328 0.803507 0.074 Uiso 1 1 calc R U . . .
H35B H 1.126880 0.349476 0.757356 0.074 Uiso 1 1 calc R U . . .
H35C H 1.077209 0.350181 0.831349 0.074 Uiso 1 1 calc R U . . .
C36 C 0.2984(6) 0.0967(3) 0.5108(4) 0.0813(17) Uani 1 1 d . . . . .
N6 N 0.2229(5) 0.0799(4) 0.4709(4) 0.112(2) Uani 1 1 d . . . . .
C37 C 0.3926(5) 0.1190(4) 0.5629(4) 0.097(2) Uani 1 1 d . . . . .
H37A H 0.411072 0.173434 0.544157 0.146 Uiso 1 1 calc R U . . .
H37B H 0.438355 0.075389 0.558043 0.146 Uiso 1 1 calc R U . . .
H37C H 0.392982 0.123427 0.622042 0.146 Uiso 1 1 calc R U . . .
O7 O 0.439010 0.438030 -0.063240 0.448 Uani 1 1 d . U . . .
H3 H 0.680(3) 0.388(10) 0.412(10) 0.42(9) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy01 Dy01 3.7522(3) 3_666 ?
Dy01 O2 2.2197(19) . ?
Dy01 O1 2.3017(18) 3_666 ?
Dy01 O1 2.2890(18) . ?
Dy01 O5 2.669(2) . ?
Dy01 O3 2.213(2) . ?
Dy01 O4 2.432(2) . ?
Dy01 N1 2.731(2) . ?
Dy01 N2 2.546(2) . ?
Dy01 H3 2.43(16) . ?
O2 C5 1.320(3) . ?
O1 C8 1.352(3) . ?
O5 N5 1.254(3) . ?
O3 C23 1.325(4) . ?
O3 H3 0.85(2) . ?
O4 N5 1.275(3) . ?
N5 O6 1.226(3) . ?
N1 C2 1.497(4) . ?
N1 C4 1.504(4) . ?
N1 C12 1.472(4) . ?
N3 C15 1.516(4) . ?
N3 C22 1.497(4) . ?
N3 C25 1.509(4) . ?
N2 C3 1.348(4) . ?
N2 C6 1.342(4) . ?
C1 C2 1.503(4) . ?
C1 C5 1.402(4) . ?
C1 C13 1.392(4) . ?
N4 C20 1.331(4) . ?
N4 C34 1.346(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9500 . ?
C3 C21 1.374(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C7 1.496(4) . ?
C5 C10 1.410(4) . ?
C6 C11 1.399(4) . ?
C6 C12 1.500(4) . ?
C7 C8 1.401(4) . ?
C7 C27 1.394(4) . ?
C8 C28 1.399(4) . ?
C9 C14 1.387(4) . ?
C9 C15 1.497(4) . ?
C9 C23 1.412(4) . ?
C10 C16 1.393(4) . ?
C10 C25 1.491(4) . ?
C11 H11 0.9500 . ?
C11 C17 1.373(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13 0.9500 . ?
C13 C24 1.396(5) . ?
C14 H14 0.9500 . ?
C14 C18 1.385(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16 0.9500 . ?
C16 C24 1.390(5) . ?
C17 H17 0.9500 . ?
C17 C21 1.381(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.387(5) . ?
C19 H19 0.9500 . ?
C19 C29 1.380(5) . ?
C20 C22 1.510(4) . ?
C20 C31 1.375(5) . ?
C21 H21 0.9500 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C29 1.395(4) . ?
C24 C35 1.515(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26 0.9500 . ?
C26 C27 1.380(5) . ?
C26 C30 1.383(5) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C28 C30 1.385(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.387(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.359(6) . ?
C33 H33 0.9500 . ?
C33 C34 1.360(5) . ?
C34 H34 0.9500 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 N6 1.133(8) . ?
C36 C37 1.428(9) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 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
Dy01 Dy01 H3 124(4) 3_666 . ?
O2 Dy01 Dy01 105.42(5) . 3_666 ?
O2 Dy01 O1 83.51(7) . 3_666 ?
O2 Dy01 O1 123.34(7) . . ?
O2 Dy01 O5 151.60(7) . . ?
O2 Dy01 O4 146.24(7) . . ?
O2 Dy01 N1 74.21(7) . . ?
O2 Dy01 N2 79.47(7) . . ?
O2 Dy01 H3 60.2(18) . . ?
O1 Dy01 Dy01 35.29(5) . 3_666 ?
O1 Dy01 Dy01 35.07(5) 3_666 3_666 ?
O1 Dy01 O1 70.36(7) . 3_666 ?
O1 Dy01 O5 79.63(7) 3_666 . ?
O1 Dy01 O5 71.63(7) . . ?
O1 Dy01 O4 128.37(7) 3_666 . ?
O1 Dy01 O4 82.98(7) . . ?
O1 Dy01 N1 73.63(7) . . ?
O1 Dy01 N1 115.51(7) 3_666 . ?
O1 Dy01 N2 124.17(7) . . ?
O1 Dy01 N2 162.12(7) 3_666 . ?
O1 Dy01 H3 89(4) 3_666 . ?
O1 Dy01 H3 158(4) . . ?
O5 Dy01 Dy01 72.38(5) . 3_666 ?
O5 Dy01 N1 133.89(7) . . ?
O5 Dy01 H3 96.8(18) . . ?
O3 Dy01 Dy01 118.40(6) . 3_666 ?
O3 Dy01 O2 80.37(7) . . ?
O3 Dy01 O1 88.27(7) . 3_666 ?
O3 Dy01 O1 144.09(7) . . ?
O3 Dy01 O5 76.45(7) . . ?
O3 Dy01 O4 88.88(8) . . ?
O3 Dy01 N1 142.23(7) . . ?
O3 Dy01 N2 83.56(8) . . ?
O3 Dy01 H3 20.5(18) . . ?
O4 Dy01 Dy01 107.84(5) . 3_666 ?
O4 Dy01 O5 49.75(7) . . ?
O4 Dy01 N1 96.93(7) . . ?
O4 Dy01 N2 67.51(7) . . ?
O4 Dy01 H3 104(3) . . ?
N1 Dy01 Dy01 95.30(5) . 3_666 ?
N1 Dy01 H3 125(2) . . ?
N2 Dy01 Dy01 157.88(6) . 3_666 ?
N2 Dy01 O5 113.58(7) . . ?
N2 Dy01 N1 64.84(8) . . ?
N2 Dy01 H3 77(4) . . ?
C5 O2 Dy01 135.54(18) . . ?
Dy01 O1 Dy01 109.64(7) . 3_666 ?
C8 O1 Dy01 119.24(16) . . ?
C8 O1 Dy01 130.94(16) . 3_666 ?
N5 O5 Dy01 91.19(16) . . ?
Dy01 O3 H3 94(10) . . ?
C23 O3 Dy01 158.80(19) . . ?
C23 O3 H3 102(10) . . ?
N5 O4 Dy01 101.99(16) . . ?
O5 N5 O4 117.0(2) . . ?
O6 N5 O5 122.6(3) . . ?
O6 N5 O4 120.4(3) . . ?
C2 N1 Dy01 111.55(16) . . ?
C2 N1 C4 104.9(2) . . ?
C4 N1 Dy01 112.06(16) . . ?
C12 N1 Dy01 109.79(17) . . ?
C12 N1 C2 109.7(2) . . ?
C12 N1 C4 108.7(2) . . ?
C22 N3 C15 114.5(2) . . ?
C22 N3 C25 112.0(2) . . ?
C25 N3 C15 112.0(2) . . ?
C3 N2 Dy01 119.7(2) . . ?
C6 N2 Dy01 122.4(2) . . ?
C6 N2 C3 117.9(3) . . ?
C5 C1 C2 117.9(3) . . ?
C13 C1 C2 122.1(3) . . ?
C13 C1 C5 119.3(3) . . ?
C20 N4 C34 117.1(3) . . ?
N1 C2 C1 116.5(2) . . ?
N1 C2 H2A 108.2 . . ?
N1 C2 H2B 108.2 . . ?
C1 C2 H2A 108.2 . . ?
C1 C2 H2B 108.2 . . ?
H2A C2 H2B 107.3 . . ?
N2 C3 H3A 118.3 . . ?
N2 C3 C21 123.4(3) . . ?
C21 C3 H3A 118.3 . . ?
N1 C4 H4A 108.9 . . ?
N1 C4 H4B 108.9 . . ?
H4A C4 H4B 107.7 . . ?
C7 C4 N1 113.4(2) . . ?
C7 C4 H4A 108.9 . . ?
C7 C4 H4B 108.9 . . ?
O2 C5 C1 121.6(3) . . ?
O2 C5 C10 119.1(3) . . ?
C1 C5 C10 119.2(3) . . ?
N2 C6 C11 121.7(3) . . ?
N2 C6 C12 117.6(3) . . ?
C11 C6 C12 120.4(3) . . ?
C8 C7 C4 118.6(3) . . ?
C27 C7 C4 122.6(3) . . ?
C27 C7 C8 118.9(3) . . ?
O1 C8 C7 118.8(3) . . ?
O1 C8 C28 121.5(3) . . ?
C28 C8 C7 119.8(3) . . ?
C14 C9 C15 120.5(3) . . ?
C14 C9 C23 120.4(3) . . ?
C23 C9 C15 119.1(3) . . ?
C5 C10 C25 116.4(3) . . ?
C16 C10 C5 119.9(3) . . ?
C16 C10 C25 123.2(3) . . ?
C6 C11 H11 120.4 . . ?
C17 C11 C6 119.2(3) . . ?
C17 C11 H11 120.4 . . ?
N1 C12 C6 114.7(2) . . ?
N1 C12 H12A 108.6 . . ?
N1 C12 H12B 108.6 . . ?
C6 C12 H12A 108.6 . . ?
C6 C12 H12B 108.6 . . ?
H12A C12 H12B 107.6 . . ?
C1 C13 H13 118.9 . . ?
C1 C13 C24 122.1(3) . . ?
C24 C13 H13 118.9 . . ?
C9 C14 H14 119.6 . . ?
C18 C14 C9 120.8(3) . . ?
C18 C14 H14 119.6 . . ?
N3 C15 H15A 109.4 . . ?
N3 C15 H15B 109.4 . . ?
C9 C15 N3 111.2(2) . . ?
C9 C15 H15A 109.4 . . ?
C9 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
C10 C16 H16 119.3 . . ?
C24 C16 C10 121.5(3) . . ?
C24 C16 H16 119.3 . . ?
C11 C17 H17 120.3 . . ?
C11 C17 C21 119.3(3) . . ?
C21 C17 H17 120.3 . . ?
C14 C18 H18 120.5 . . ?
C14 C18 C19 118.9(3) . . ?
C19 C18 H18 120.5 . . ?
C18 C19 H19 119.5 . . ?
C29 C19 C18 121.1(3) . . ?
C29 C19 H19 119.5 . . ?
N4 C20 C22 117.3(3) . . ?
N4 C20 C31 122.4(3) . . ?
C31 C20 C22 120.3(3) . . ?
C3 C21 C17 118.4(3) . . ?
C3 C21 H21 120.8 . . ?
C17 C21 H21 120.8 . . ?
N3 C22 C20 113.8(2) . . ?
N3 C22 H22A 108.8 . . ?
N3 C22 H22B 108.8 . . ?
C20 C22 H22A 108.8 . . ?
C20 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
O3 C23 C9 119.4(3) . . ?
O3 C23 C29 122.6(3) . . ?
C29 C23 C9 118.0(3) . . ?
C13 C24 C35 121.0(3) . . ?
C16 C24 C13 118.0(3) . . ?
C16 C24 C35 120.9(3) . . ?
N3 C25 H25A 109.0 . . ?
N3 C25 H25B 109.0 . . ?
C10 C25 N3 112.7(2) . . ?
C10 C25 H25A 109.0 . . ?
C10 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
C27 C26 H26 120.3 . . ?
C27 C26 C30 119.4(3) . . ?
C30 C26 H26 120.3 . . ?
C7 C27 H27 119.3 . . ?
C26 C27 C7 121.3(3) . . ?
C26 C27 H27 119.3 . . ?
C8 C28 H28 120.1 . . ?
C30 C28 C8 119.8(3) . . ?
C30 C28 H28 120.1 . . ?
C19 C29 C23 120.8(3) . . ?
C19 C29 H29 119.6 . . ?
C23 C29 H29 119.6 . . ?
C26 C30 C28 120.8(3) . . ?
C26 C30 H30 119.6 . . ?
C28 C30 H30 119.6 . . ?
C20 C31 H31 120.4 . . ?
C20 C31 C32 119.1(4) . . ?
C32 C31 H31 120.4 . . ?
C31 C32 H32 120.6 . . ?
C33 C32 C31 118.8(3) . . ?
C33 C32 H32 120.6 . . ?
C32 C33 H33 120.6 . . ?
C32 C33 C34 118.8(3) . . ?
C34 C33 H33 120.6 . . ?
N4 C34 C33 123.8(4) . . ?
N4 C34 H34 118.1 . . ?
C33 C34 H34 118.1 . . ?
C24 C35 H35A 109.5 . . ?
C24 C35 H35B 109.5 . . ?
C24 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N6 C36 C37 178.4(8) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy01 O2 C5 C1 -52.4(4) . . . . ?
Dy01 O2 C5 C10 130.1(2) . . . . ?
Dy01 O1 C8 C7 -112.8(3) 3_666 . . . ?
Dy01 O1 C8 C7 72.7(3) . . . . ?
Dy01 O1 C8 C28 68.1(3) 3_666 . . . ?
Dy01 O1 C8 C28 -106.4(3) . . . . ?
Dy01 O5 N5 O4 -2.3(2) . . . . ?
Dy01 O5 N5 O6 177.6(3) . . . . ?
Dy01 O3 C23 C9 125.9(5) . . . . ?
Dy01 O3 C23 C29 -56.4(7) . . . . ?
Dy01 O4 N5 O5 2.6(3) . . . . ?
Dy01 O4 N5 O6 -177.3(2) . . . . ?
Dy01 N1 C2 C1 -59.3(3) . . . . ?
Dy01 N1 C4 C7 53.6(3) . . . . ?
Dy01 N1 C12 C6 36.3(3) . . . . ?
Dy01 N2 C3 C21 177.8(3) . . . . ?
Dy01 N2 C6 C11 -175.4(2) . . . . ?
Dy01 N2 C6 C12 10.7(4) . . . . ?
O2 C5 C10 C16 179.0(3) . . . . ?
O2 C5 C10 C25 6.9(4) . . . . ?
O1 C8 C28 C30 -179.8(3) . . . . ?
O3 C23 C29 C19 -175.7(3) . . . . ?
N1 C4 C7 C8 -68.5(3) . . . . ?
N1 C4 C7 C27 113.3(3) . . . . ?
N2 C3 C21 C17 -1.6(5) . . . . ?
N2 C6 C11 C17 -3.0(5) . . . . ?
N2 C6 C12 N1 -33.3(4) . . . . ?
C1 C5 C10 C16 1.5(4) . . . . ?
C1 C5 C10 C25 -170.6(3) . . . . ?
C1 C13 C24 C16 -0.5(5) . . . . ?
C1 C13 C24 C35 175.3(3) . . . . ?
N4 C20 C22 N3 -54.5(4) . . . . ?
N4 C20 C31 C32 0.8(5) . . . . ?
C2 N1 C4 C7 174.8(2) . . . . ?
C2 N1 C12 C6 -86.6(3) . . . . ?
C2 C1 C5 O2 -7.9(4) . . . . ?
C2 C1 C5 C10 169.5(3) . . . . ?
C2 C1 C13 C24 -169.6(3) . . . . ?
C3 N2 C6 C11 2.7(4) . . . . ?
C3 N2 C6 C12 -171.2(3) . . . . ?
C4 N1 C2 C1 179.2(2) . . . . ?
C4 N1 C12 C6 159.2(2) . . . . ?
C4 C7 C8 O1 1.5(4) . . . . ?
C4 C7 C8 C28 -179.4(3) . . . . ?
C4 C7 C27 C26 178.4(3) . . . . ?
C5 C1 C2 N1 65.0(4) . . . . ?
C5 C1 C13 C24 0.8(5) . . . . ?
C5 C10 C16 C24 -1.2(5) . . . . ?
C5 C10 C25 N3 -62.2(3) . . . . ?
C6 N2 C3 C21 -0.3(5) . . . . ?
C6 C11 C17 C21 0.9(5) . . . . ?
C7 C8 C28 C30 1.1(4) . . . . ?
C8 C7 C27 C26 0.3(5) . . . . ?
C8 C28 C30 C26 -0.2(5) . . . . ?
C9 C14 C18 C19 1.2(6) . . . . ?
C9 C23 C29 C19 2.0(5) . . . . ?
C10 C16 C24 C13 0.7(5) . . . . ?
C10 C16 C24 C35 -175.1(3) . . . . ?
C11 C6 C12 N1 152.8(3) . . . . ?
C11 C17 C21 C3 1.3(5) . . . . ?
C12 N1 C2 C1 62.6(3) . . . . ?
C12 N1 C4 C7 -68.0(3) . . . . ?
C12 C6 C11 C17 170.7(3) . . . . ?
C13 C1 C2 N1 -124.5(3) . . . . ?
C13 C1 C5 O2 -178.7(3) . . . . ?
C13 C1 C5 C10 -1.3(4) . . . . ?
C14 C9 C15 N3 -128.7(3) . . . . ?
C14 C9 C23 O3 175.2(3) . . . . ?
C14 C9 C23 C29 -2.7(4) . . . . ?
C14 C18 C19 C29 -1.9(6) . . . . ?
C15 N3 C22 C20 75.5(3) . . . . ?
C15 N3 C25 C10 151.4(2) . . . . ?
C15 C9 C14 C18 -177.0(3) . . . . ?
C15 C9 C23 O3 -6.8(4) . . . . ?
C15 C9 C23 C29 175.4(3) . . . . ?
C16 C10 C25 N3 126.0(3) . . . . ?
C18 C19 C29 C23 0.2(6) . . . . ?
C20 N4 C34 C33 2.4(5) . . . . ?
C20 C31 C32 C33 1.5(6) . . . . ?
C22 N3 C15 C9 57.7(3) . . . . ?
C22 N3 C25 C10 -78.3(3) . . . . ?
C22 C20 C31 C32 179.6(3) . . . . ?
C23 C9 C14 C18 1.1(5) . . . . ?
C23 C9 C15 N3 53.2(3) . . . . ?
C25 N3 C15 C9 -173.3(2) . . . . ?
C25 N3 C22 C20 -53.5(3) . . . . ?
C25 C10 C16 C24 170.3(3) . . . . ?
C27 C7 C8 O1 179.7(3) . . . . ?
C27 C7 C8 C28 -1.2(4) . . . . ?
C27 C26 C30 C28 -0.7(5) . . . . ?
C30 C26 C27 C7 0.6(6) . . . . ?
C31 C20 C22 N3 126.6(3) . . . . ?
C31 C32 C33 C34 -1.8(5) . . . . ?
C32 C33 C34 N4 -0.2(6) . . . . ?
C34 N4 C20 C22 178.4(3) . . . . ?
C34 N4 C20 C31 -2.7(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       'Magnetic properties'
