# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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 
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data_ytcn55(057)
_database_code_depnum_ccdc_archive 'CCDC 2090897'
loop_
_audit_author_name
_audit_author_address
'Po-Heng Lin'
;National Chung Hsing University
Taiwan
;
_audit_update_record             
;
2021-10-05 deposited with the CCDC.	2021-10-07 downloaded from the CCDC.
;
_audit_creation_date             2021-10-04
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2017.02.24 svn.r3390 for Rigaku Oxford Diffraction, GUI svn.r5318)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C35 H40 Cl2 Dy N9 O3, C4 H8 O'
_chemical_formula_sum            'C39 H48 Cl2 Dy N9 O4'
_chemical_formula_weight         940.26
_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 0.0030 0.0020 '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'
Cl Cl 0.1480 0.1590 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1890 4.4100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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      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                   12.7650(7)
_cell_length_b                   12.8233(8)
_cell_length_c                   14.6204(8)
_cell_angle_alpha                76.975(5)
_cell_angle_beta                 64.278(5)
_cell_angle_gamma                68.218(6)
_cell_volume                     1996.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8878
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.46
_cell_measurement_theta_min      2.57
_shelx_estimated_absorpt_T_max   0.790
_shelx_estimated_absorpt_T_min   0.559
_exptl_absorpt_coefficient_mu    2.058
_exptl_absorpt_correction_T_max  0.781
_exptl_absorpt_correction_T_min  0.601
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0653 before and 0.0509 after correction.
The Ratio of minimum to maximum transmission is 0.8591.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             954
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0651
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14538
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.900
_diffrn_ambient_temperature      120.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6113
_reflns_number_total             7007
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.935
_refine_diff_density_min         -0.891
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         7007
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0371
_refine_ls_restrained_S_all      1.063
_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)+(0.0338P)²+0.1892P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0807
_refine_ls_wR_factor_ref         0.0852
_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. Uiso/Uaniso restraints and constraints
Uanis(C3S) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C29(H29A,H29B), C30(H30A,H30B), C1S(H1SA,H1SB),
 C2S(H2SA,H2SB), C3S(H3SA,H3SB), C4S(H4SA,H4SB)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C12(H12), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19),
 C24(H24), C25(H25), C26(H26), C27(H27), C33(H33)
3.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Dy Dy -0.06358(2) 0.21930(2) 0.78187(2) 0.01484(8) Uani 1 1 d . . . . .
Cl1 Cl 0.12790(10) 0.29330(9) 0.71580(9) 0.0255(3) Uani 1 1 d . . . . .
Cl2 Cl -0.26508(10) 0.16915(10) 0.83368(9) 0.0268(3) Uani 1 1 d . . . . .
O1 O -0.0541(2) 0.1870(2) 0.9345(2) 0.0176(7) Uani 1 1 d . . . . .
O2 O 0.0714(2) 0.0496(2) 0.7806(2) 0.0173(7) Uani 1 1 d . . . . .
O3 O -0.1106(3) 0.3693(2) 0.6644(2) 0.0197(7) Uani 1 1 d . . . . .
N1 N -0.2014(3) 0.3936(3) 0.8907(3) 0.0191(8) Uani 1 1 d . . . . .
N2 N -0.1943(3) 0.4171(3) 0.9732(3) 0.0197(8) Uani 1 1 d . . . . .
N3 N -0.2811(3) 0.5080(3) 1.0201(3) 0.0255(9) Uani 1 1 d . . . . .
N4 N 0.0158(3) 0.1303(3) 0.6127(3) 0.0165(8) Uani 1 1 d . . . . .
N5 N 0.1284(3) 0.0601(3) 0.5651(3) 0.0167(8) Uani 1 1 d . . . . .
N6 N 0.1558(3) 0.0428(3) 0.4701(3) 0.0228(9) Uani 1 1 d . . . . .
N7 N 0.1949(3) 0.0549(3) 0.8967(3) 0.0177(8) Uani 1 1 d . . . . .
H7 H 0.145(4) 0.088(4) 0.872(3) 0.015(12) Uiso 1 1 d . . . . .
N8 N 0.4931(3) -0.0302(4) 0.8280(3) 0.0292(10) Uani 1 1 d . . . . .
N9 N -0.1451(3) 0.5473(3) 0.5906(3) 0.0196(8) Uani 1 1 d . . . . .
C1 C -0.0353(4) 0.2409(4) 0.9895(3) 0.0178(10) Uani 1 1 d . . . . .
C2 C -0.1006(4) 0.3546(4) 1.0108(3) 0.0182(10) Uani 1 1 d . . . . .
C3 C -0.0778(4) 0.4072(4) 1.0709(3) 0.0206(10) Uani 1 1 d . . . . .
H3 H -0.123181 0.483845 1.083602 0.025 Uiso 1 1 calc R . . . .
C4 C 0.0090(4) 0.3507(4) 1.1125(3) 0.0252(11) Uani 1 1 d . . . . .
C5 C 0.0735(4) 0.2387(4) 1.0918(3) 0.0230(10) Uani 1 1 d . . . . .
H5 H 0.134005 0.198411 1.119116 0.028 Uiso 1 1 calc R . . . .
C6 C 0.0531(4) 0.1839(4) 1.0330(3) 0.0184(10) Uani 1 1 d . . . . .
C7 C 0.1235(4) 0.0630(4) 1.0104(3) 0.0199(10) Uani 1 1 d . . . . .
H7A H 0.066173 0.018397 1.035572 0.024 Uiso 1 1 calc R . . . .
H7B H 0.180539 0.031562 1.046027 0.024 Uiso 1 1 calc R . . . .
C8 C 0.2413(4) -0.0643(3) 0.8668(3) 0.0195(10) Uani 1 1 d . . . . .
H8A H 0.313955 -0.107612 0.883378 0.023 Uiso 1 1 calc R . . . .
H8B H 0.177206 -0.101251 0.905920 0.023 Uiso 1 1 calc R . . . .
C9 C 0.2748(4) -0.0645(3) 0.7547(3) 0.0174(10) Uani 1 1 d . . . . .
C10 C 0.1816(4) -0.0021(3) 0.7163(3) 0.0174(9) Uani 1 1 d . . . . .
C11 C 0.2154(4) 0.0002(3) 0.6117(3) 0.0164(9) Uani 1 1 d . . . . .
C12 C 0.3322(4) -0.0603(4) 0.5481(3) 0.0234(10) Uani 1 1 d . . . . .
H12 H 0.351110 -0.058902 0.477515 0.028 Uiso 1 1 calc R . . . .
C13 C 0.4208(4) -0.1226(4) 0.5872(3) 0.0256(11) Uani 1 1 d . . . . .
C14 C 0.3903(4) -0.1227(4) 0.6907(3) 0.0255(11) Uani 1 1 d . . . . .
H14 H 0.450487 -0.163936 0.718231 0.031 Uiso 1 1 calc R . . . .
C15 C -0.3036(4) 0.4763(4) 0.8851(3) 0.0224(10) Uani 1 1 d . . . . .
C16 C -0.3630(4) 0.4964(4) 0.8175(4) 0.0258(11) Uani 1 1 d . . . . .
H16 H -0.332159 0.449571 0.763792 0.031 Uiso 1 1 calc R . . . .
C17 C -0.4670(4) 0.5869(4) 0.8337(4) 0.0338(13) Uani 1 1 d . . . . .
H17 H -0.508705 0.603667 0.789370 0.041 Uiso 1 1 calc R . . . .
C18 C -0.5146(5) 0.6565(4) 0.9147(4) 0.0398(14) Uani 1 1 d . . . . .
H18 H -0.587317 0.718088 0.922962 0.048 Uiso 1 1 calc R . . . .
C19 C -0.4593(4) 0.6377(4) 0.9810(4) 0.0346(13) Uani 1 1 d . . . . .
H19 H -0.492391 0.683968 1.035643 0.042 Uiso 1 1 calc R . . . .
C20 C -0.3509(4) 0.5464(4) 0.9646(3) 0.0253(11) Uani 1 1 d . . . . .
C21 C 0.0309(5) 0.4074(4) 1.1799(4) 0.0310(12) Uani 1 1 d . . . . .
H21A H -0.007038 0.489086 1.172637 0.046 Uiso 1 1 calc GR . . . .
H21B H 0.119078 0.390377 1.159722 0.046 Uiso 1 1 calc GR . . . .
H21C H -0.005231 0.379547 1.251055 0.046 Uiso 1 1 calc GR . . . .
C22 C 0.5485(4) -0.1871(5) 0.5171(4) 0.0394(14) Uani 1 1 d . . . . .
H22A H 0.609257 -0.184146 0.539605 0.059 Uiso 1 1 calc GR . . . .
H22B H 0.564692 -0.152974 0.447256 0.059 Uiso 1 1 calc GR . . . .
H22C H 0.553559 -0.265777 0.519461 0.059 Uiso 1 1 calc GR . . . .
C23 C -0.0344(4) 0.1592(3) 0.5420(3) 0.0184(10) Uani 1 1 d . . . . .
C24 C -0.1523(4) 0.2267(4) 0.5470(4) 0.0231(11) Uani 1 1 d . . . . .
H24 H -0.213256 0.261615 0.607074 0.028 Uiso 1 1 calc R . . . .
C25 C -0.1743(5) 0.2395(4) 0.4607(4) 0.0292(12) Uani 1 1 d . . . . .
H25 H -0.252688 0.285040 0.461341 0.035 Uiso 1 1 calc R . . . .
C26 C -0.0846(5) 0.1875(4) 0.3702(4) 0.0315(12) Uani 1 1 d . . . . .
H26 H -0.103946 0.200541 0.311905 0.038 Uiso 1 1 calc R . . . .
C27 C 0.0285(4) 0.1192(4) 0.3654(3) 0.0256(11) Uani 1 1 d . . . . .
H27 H 0.087697 0.082511 0.305763 0.031 Uiso 1 1 calc R . . . .
C28 C 0.0537(4) 0.1054(4) 0.4529(3) 0.0190(10) Uani 1 1 d . . . . .
C29 C 0.2893(4) 0.1147(4) 0.8523(3) 0.0238(11) Uani 1 1 d . . . . .
H29A H 0.248896 0.193546 0.871310 0.029 Uiso 1 1 calc R . . . .
H29B H 0.321244 0.116745 0.777188 0.029 Uiso 1 1 calc R . . . .
C30 C 0.3966(4) 0.0631(4) 0.8853(4) 0.0298(12) Uani 1 1 d . . . . .
H30A H 0.432041 0.122563 0.878593 0.036 Uiso 1 1 calc R . . . .
H30B H 0.365735 0.036377 0.958187 0.036 Uiso 1 1 calc R . . . .
C31 C 0.5770(4) -0.0890(5) 0.8796(4) 0.0385(14) Uani 1 1 d . . . . .
H31A H 0.641878 -0.151659 0.840547 0.058 Uiso 1 1 calc GR . . . .
H31B H 0.532157 -0.118123 0.947962 0.058 Uiso 1 1 calc GR . . . .
H31C H 0.613471 -0.036571 0.884941 0.058 Uiso 1 1 calc GR . . . .
C32 C 0.5605(5) 0.0072(5) 0.7259(4) 0.0470(15) Uani 1 1 d . . . . .
H32A H 0.507089 0.036246 0.687803 0.071 Uiso 1 1 calc GR . . . .
H32B H 0.630550 -0.056147 0.692317 0.071 Uiso 1 1 calc GR . . . .
H32C H 0.589706 0.067037 0.727880 0.071 Uiso 1 1 calc GR . . . .
C33 C -0.1004(4) 0.4653(4) 0.6488(3) 0.0190(10) Uani 1 1 d . . . . .
H33 H -0.057409 0.480280 0.681044 0.023 Uiso 1 1 calc R . . . .
C34 C -0.1400(5) 0.6608(4) 0.5825(4) 0.0314(12) Uani 1 1 d . . . . .
H34A H -0.078849 0.658501 0.607008 0.047 Uiso 1 1 calc GR . . . .
H34B H -0.220353 0.709094 0.623799 0.047 Uiso 1 1 calc GR . . . .
H34C H -0.117336 0.691013 0.511162 0.047 Uiso 1 1 calc GR . . . .
C35 C -0.2112(5) 0.5293(4) 0.5376(4) 0.0343(13) Uani 1 1 d . . . . .
H35A H -0.177440 0.450883 0.520217 0.052 Uiso 1 1 calc GR . . . .
H35B H -0.202291 0.579616 0.475256 0.052 Uiso 1 1 calc GR . . . .
H35C H -0.298144 0.545424 0.582143 0.052 Uiso 1 1 calc GR . . . .
O1S O 0.6273(6) 0.6203(6) 0.2700(5) 0.129(2) Uani 1 1 d . . . . .
C1S C 0.6736(7) 0.5095(7) 0.3284(7) 0.089(3) Uani 1 1 d . . . . .
H1SA H 0.755220 0.463590 0.284261 0.107 Uiso 1 1 calc R . . . .
H1SB H 0.679573 0.524676 0.389120 0.107 Uiso 1 1 calc R . . . .
C2S C 0.5869(10) 0.4538(8) 0.3569(10) 0.167(6) Uani 1 1 d . . . . .
H2SA H 0.618051 0.393827 0.310784 0.201 Uiso 1 1 calc R . . . .
H2SB H 0.571607 0.418478 0.427186 0.201 Uiso 1 1 calc R . . . .
C3S C 0.4791(6) 0.5311(6) 0.3518(5) 0.0526(16) Uani 1 1 d . U . . .
H3SA H 0.455252 0.504542 0.307376 0.063 Uiso 1 1 calc R . . . .
H3SB H 0.413234 0.535739 0.420734 0.063 Uiso 1 1 calc R . . . .
C4S C 0.4904(7) 0.6340(8) 0.3154(7) 0.104(3) Uani 1 1 d . . . . .
H4SA H 0.446275 0.685596 0.370876 0.125 Uiso 1 1 calc R . . . .
H4SB H 0.455842 0.665549 0.262484 0.125 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy Cl1 2.6583(11) . ?
Dy Cl2 2.6307(11) . ?
Dy O1 2.224(3) . ?
Dy O2 2.216(3) . ?
Dy O3 2.358(3) . ?
Dy N1 2.622(3) . ?
Dy N4 2.585(3) . ?
O1 C1 1.312(5) . ?
O2 C10 1.320(5) . ?
O3 C33 1.246(5) . ?
N1 N2 1.354(5) . ?
N1 C15 1.363(5) . ?
N2 N3 1.341(5) . ?
N2 C2 1.428(5) . ?
N3 C20 1.347(6) . ?
N4 N5 1.347(4) . ?
N4 C23 1.358(5) . ?
N5 N6 1.327(5) . ?
N5 C11 1.442(5) . ?
N6 C28 1.351(5) . ?
N7 H7 0.80(4) . ?
N7 C7 1.516(5) . ?
N7 C8 1.512(5) . ?
N7 C29 1.498(6) . ?
N8 C30 1.453(6) . ?
N8 C31 1.460(6) . ?
N8 C32 1.438(6) . ?
N9 C33 1.315(5) . ?
N9 C34 1.457(6) . ?
N9 C35 1.468(6) . ?
C1 C2 1.413(6) . ?
C1 C6 1.419(6) . ?
C2 C3 1.395(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.383(6) . ?
C4 C5 1.391(6) . ?
C4 C21 1.514(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.378(6) . ?
C6 C7 1.503(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.503(6) . ?
C9 C10 1.429(6) . ?
C9 C14 1.381(6) . ?
C10 C11 1.392(6) . ?
C11 C12 1.397(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.389(6) . ?
C13 C14 1.389(6) . ?
C13 C22 1.524(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.417(6) . ?
C15 C20 1.408(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.368(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.420(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.363(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.407(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.409(6) . ?
C23 C28 1.412(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.371(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.422(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.363(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.408(6) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.517(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
O1S C1S 1.538(9) . ?
O1S C4S 1.531(9) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1S C2S 1.400(11) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C2S C3S 1.387(10) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C3S C4S 1.343(10) . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?

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
Cl2 Dy Cl1 172.55(3) . . ?
O1 Dy Cl1 87.10(8) . . ?
O1 Dy Cl2 98.20(8) . . ?
O1 Dy O3 140.86(10) . . ?
O1 Dy N1 68.51(10) . . ?
O1 Dy N4 143.50(10) . . ?
O2 Dy Cl1 84.87(8) . . ?
O2 Dy Cl2 101.51(8) . . ?
O2 Dy O1 74.95(10) . . ?
O2 Dy O3 138.57(10) . . ?
O2 Dy N1 143.33(10) . . ?
O2 Dy N4 68.63(10) . . ?
O3 Dy Cl1 79.03(8) . . ?
O3 Dy Cl2 93.59(8) . . ?
O3 Dy N1 75.08(10) . . ?
O3 Dy N4 74.00(10) . . ?
N1 Dy Cl1 90.25(8) . . ?
N1 Dy Cl2 86.86(8) . . ?
N4 Dy Cl1 91.87(8) . . ?
N4 Dy Cl2 86.97(8) . . ?
N4 Dy N1 147.99(10) . . ?
C1 O1 Dy 135.4(3) . . ?
C10 O2 Dy 135.2(2) . . ?
C33 O3 Dy 129.9(3) . . ?
N2 N1 Dy 127.6(2) . . ?
N2 N1 C15 102.8(3) . . ?
C15 N1 Dy 129.3(3) . . ?
N1 N2 C2 124.8(3) . . ?
N3 N2 N1 116.3(3) . . ?
N3 N2 C2 118.9(4) . . ?
N2 N3 C20 102.9(4) . . ?
N5 N4 Dy 126.9(2) . . ?
N5 N4 C23 103.3(3) . . ?
C23 N4 Dy 128.6(3) . . ?
N4 N5 C11 124.7(3) . . ?
N6 N5 N4 115.9(3) . . ?
N6 N5 C11 119.4(3) . . ?
N5 N6 C28 104.1(3) . . ?
C7 N7 H7 105(3) . . ?
C8 N7 H7 105(3) . . ?
C8 N7 C7 112.3(3) . . ?
C29 N7 H7 106(3) . . ?
C29 N7 C7 113.7(3) . . ?
C29 N7 C8 114.4(3) . . ?
C30 N8 C31 110.0(4) . . ?
C32 N8 C30 111.8(4) . . ?
C32 N8 C31 109.3(4) . . ?
C33 N9 C34 121.7(4) . . ?
C33 N9 C35 120.6(4) . . ?
C34 N9 C35 117.5(4) . . ?
O1 C1 C2 123.7(4) . . ?
O1 C1 C6 119.9(4) . . ?
C2 C1 C6 116.3(4) . . ?
C1 C2 N2 120.1(4) . . ?
C3 C2 N2 118.6(4) . . ?
C3 C2 C1 121.2(4) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.7(4) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 C5 117.3(4) . . ?
C3 C4 C21 121.5(4) . . ?
C5 C4 C21 121.3(4) . . ?
C4 C5 H5 118.7 . . ?
C6 C5 C4 122.6(4) . . ?
C6 C5 H5 118.7 . . ?
C1 C6 C7 116.8(4) . . ?
C5 C6 C1 120.8(4) . . ?
C5 C6 C7 122.4(4) . . ?
N7 C7 H7A 109.7 . . ?
N7 C7 H7B 109.7 . . ?
C6 C7 N7 110.0(3) . . ?
C6 C7 H7A 109.7 . . ?
C6 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
N7 C8 H8A 109.6 . . ?
N7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
C9 C8 N7 110.4(3) . . ?
C9 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
C10 C9 C8 117.3(4) . . ?
C14 C9 C8 122.0(4) . . ?
C14 C9 C10 120.7(4) . . ?
O2 C10 C9 118.8(4) . . ?
O2 C10 C11 124.7(4) . . ?
C11 C10 C9 116.5(4) . . ?
C10 C11 N5 121.1(4) . . ?
C10 C11 C12 122.0(4) . . ?
C12 C11 N5 116.8(4) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.6(4) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 C22 120.3(4) . . ?
C14 C13 C12 118.3(4) . . ?
C14 C13 C22 121.4(4) . . ?
C9 C14 C13 121.8(4) . . ?
C9 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
N1 C15 C16 130.9(4) . . ?
N1 C15 C20 108.2(4) . . ?
C20 C15 C16 120.9(4) . . ?
C15 C16 H16 121.7 . . ?
C17 C16 C15 116.5(5) . . ?
C17 C16 H16 121.7 . . ?
C16 C17 H17 118.9 . . ?
C16 C17 C18 122.1(5) . . ?
C18 C17 H17 118.9 . . ?
C17 C18 H18 118.9 . . ?
C19 C18 C17 122.2(5) . . ?
C19 C18 H18 118.9 . . ?
C18 C19 H19 121.7 . . ?
C18 C19 C20 116.7(5) . . ?
C20 C19 H19 121.7 . . ?
N3 C20 C15 109.8(4) . . ?
N3 C20 C19 128.5(5) . . ?
C19 C20 C15 121.6(4) . . ?
C4 C21 H21A 109.5 . . ?
C4 C21 H21B 109.5 . . ?
C4 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C13 C22 H22A 109.5 . . ?
C13 C22 H22B 109.5 . . ?
C13 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C24 131.0(4) . . ?
N4 C23 C28 108.2(4) . . ?
C24 C23 C28 120.8(4) . . ?
C23 C24 H24 121.7 . . ?
C25 C24 C23 116.5(4) . . ?
C25 C24 H24 121.7 . . ?
C24 C25 H25 118.7 . . ?
C24 C25 C26 122.7(4) . . ?
C26 C25 H25 118.7 . . ?
C25 C26 H26 119.3 . . ?
C27 C26 C25 121.3(4) . . ?
C27 C26 H26 119.3 . . ?
C26 C27 H27 121.5 . . ?
C26 C27 C28 117.1(4) . . ?
C28 C27 H27 121.5 . . ?
N6 C28 C23 108.5(4) . . ?
N6 C28 C27 129.9(4) . . ?
C27 C28 C23 121.6(4) . . ?
N7 C29 H29A 108.5 . . ?
N7 C29 H29B 108.5 . . ?
N7 C29 C30 115.3(4) . . ?
H29A C29 H29B 107.5 . . ?
C30 C29 H29A 108.5 . . ?
C30 C29 H29B 108.5 . . ?
N8 C30 C29 114.7(4) . . ?
N8 C30 H30A 108.6 . . ?
N8 C30 H30B 108.6 . . ?
C29 C30 H30A 108.6 . . ?
C29 C30 H30B 108.6 . . ?
H30A C30 H30B 107.6 . . ?
N8 C31 H31A 109.5 . . ?
N8 C31 H31B 109.5 . . ?
N8 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N8 C32 H32A 109.5 . . ?
N8 C32 H32B 109.5 . . ?
N8 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O3 C33 N9 124.2(4) . . ?
O3 C33 H33 117.9 . . ?
N9 C33 H33 117.9 . . ?
N9 C34 H34A 109.5 . . ?
N9 C34 H34B 109.5 . . ?
N9 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N9 C35 H35A 109.5 . . ?
N9 C35 H35B 109.5 . . ?
N9 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C4S O1S C1S 100.1(6) . . ?
O1S C1S H1SA 110.7 . . ?
O1S C1S H1SB 110.7 . . ?
H1SA C1S H1SB 108.8 . . ?
C2S C1S O1S 105.4(6) . . ?
C2S C1S H1SA 110.7 . . ?
C2S C1S H1SB 110.7 . . ?
C1S C2S H2SA 109.9 . . ?
C1S C2S H2SB 109.9 . . ?
H2SA C2S H2SB 108.3 . . ?
C3S C2S C1S 109.1(8) . . ?
C3S C2S H2SA 109.9 . . ?
C3S C2S H2SB 109.9 . . ?
C2S C3S H3SA 109.2 . . ?
C2S C3S H3SB 109.2 . . ?
H3SA C3S H3SB 107.9 . . ?
C4S C3S C2S 112.1(7) . . ?
C4S C3S H3SA 109.2 . . ?
C4S C3S H3SB 109.2 . . ?
O1S C4S H4SA 110.3 . . ?
O1S C4S H4SB 110.3 . . ?
C3S C4S O1S 106.9(6) . . ?
C3S C4S H4SA 110.3 . . ?
C3S C4S H4SB 110.3 . . ?
H4SA C4S H4SB 108.6 . . ?

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
Dy O1 C1 C2 51.4(6) . . . . ?
Dy O1 C1 C6 -129.9(3) . . . . ?
Dy O2 C10 C9 134.2(3) . . . . ?
Dy O2 C10 C11 -45.0(6) . . . . ?
Dy O3 C33 N9 -170.3(3) . . . . ?
Dy N1 N2 N3 -175.5(3) . . . . ?
Dy N1 N2 C2 6.2(6) . . . . ?
Dy N1 C15 C16 -3.1(7) . . . . ?
Dy N1 C15 C20 175.5(3) . . . . ?
Dy N4 N5 N6 -167.2(3) . . . . ?
Dy N4 N5 C11 16.0(5) . . . . ?
Dy N4 C23 C24 -14.9(7) . . . . ?
Dy N4 C23 C28 166.8(3) . . . . ?
O1 C1 C2 N2 1.0(6) . . . . ?
O1 C1 C2 C3 179.2(4) . . . . ?
O1 C1 C6 C5 -179.5(4) . . . . ?
O1 C1 C6 C7 1.5(6) . . . . ?
O2 C10 C11 N5 -1.2(7) . . . . ?
O2 C10 C11 C12 -177.2(4) . . . . ?
N1 N2 N3 C20 0.4(5) . . . . ?
N1 N2 C2 C1 -24.1(6) . . . . ?
N1 N2 C2 C3 157.6(4) . . . . ?
N1 C15 C16 C17 178.6(5) . . . . ?
N1 C15 C20 N3 -0.9(5) . . . . ?
N1 C15 C20 C19 -177.7(4) . . . . ?
N2 N1 C15 C16 -177.5(5) . . . . ?
N2 N1 C15 C20 1.0(5) . . . . ?
N2 N3 C20 C15 0.3(5) . . . . ?
N2 N3 C20 C19 176.8(5) . . . . ?
N2 C2 C3 C4 178.0(4) . . . . ?
N3 N2 C2 C1 157.6(4) . . . . ?
N3 N2 C2 C3 -20.6(6) . . . . ?
N4 N5 N6 C28 -0.5(5) . . . . ?
N4 N5 C11 C10 9.9(6) . . . . ?
N4 N5 C11 C12 -173.9(4) . . . . ?
N4 C23 C24 C25 180.0(5) . . . . ?
N4 C23 C28 N6 1.0(5) . . . . ?
N4 C23 C28 C27 -180.0(4) . . . . ?
N5 N4 C23 C24 177.0(4) . . . . ?
N5 N4 C23 C28 -1.3(5) . . . . ?
N5 N6 C28 C23 -0.3(5) . . . . ?
N5 N6 C28 C27 -179.2(4) . . . . ?
N5 C11 C12 C13 -178.5(4) . . . . ?
N6 N5 C11 C10 -166.8(4) . . . . ?
N6 N5 C11 C12 9.4(6) . . . . ?
N7 C8 C9 C10 -57.0(5) . . . . ?
N7 C8 C9 C14 123.4(4) . . . . ?
N7 C29 C30 N8 83.1(5) . . . . ?
C1 C2 C3 C4 -0.2(7) . . . . ?
C1 C6 C7 N7 60.8(5) . . . . ?
C2 N2 N3 C20 178.8(4) . . . . ?
C2 C1 C6 C5 -0.7(6) . . . . ?
C2 C1 C6 C7 -179.7(4) . . . . ?
C2 C3 C4 C5 0.2(7) . . . . ?
C2 C3 C4 C21 -178.4(4) . . . . ?
C3 C4 C5 C6 -0.5(7) . . . . ?
C4 C5 C6 C1 0.7(7) . . . . ?
C4 C5 C6 C7 179.7(4) . . . . ?
C5 C6 C7 N7 -118.2(4) . . . . ?
C6 C1 C2 N2 -177.8(4) . . . . ?
C6 C1 C2 C3 0.4(6) . . . . ?
C7 N7 C8 C9 161.8(3) . . . . ?
C7 N7 C29 C30 67.9(5) . . . . ?
C8 N7 C7 C6 -165.6(3) . . . . ?
C8 N7 C29 C30 -63.0(5) . . . . ?
C8 C9 C10 O2 -1.6(6) . . . . ?
C8 C9 C10 C11 177.7(4) . . . . ?
C8 C9 C14 C13 -180.0(4) . . . . ?
C9 C10 C11 N5 179.6(4) . . . . ?
C9 C10 C11 C12 3.6(6) . . . . ?
C10 C9 C14 C13 0.4(7) . . . . ?
C10 C11 C12 C13 -2.3(7) . . . . ?
C11 N5 N6 C28 176.5(4) . . . . ?
C11 C12 C13 C14 -0.1(7) . . . . ?
C11 C12 C13 C22 -179.2(4) . . . . ?
C12 C13 C14 C9 1.0(7) . . . . ?
C14 C9 C10 O2 178.1(4) . . . . ?
C14 C9 C10 C11 -2.7(6) . . . . ?
C15 N1 N2 N3 -1.0(5) . . . . ?
C15 N1 N2 C2 -179.2(4) . . . . ?
C15 C16 C17 C18 -0.9(7) . . . . ?
C16 C15 C20 N3 177.9(4) . . . . ?
C16 C15 C20 C19 1.0(7) . . . . ?
C16 C17 C18 C19 0.3(8) . . . . ?
C17 C18 C19 C20 0.9(8) . . . . ?
C18 C19 C20 N3 -177.8(5) . . . . ?
C18 C19 C20 C15 -1.6(7) . . . . ?
C20 C15 C16 C17 0.2(7) . . . . ?
C21 C4 C5 C6 178.1(4) . . . . ?
C22 C13 C14 C9 -179.9(5) . . . . ?
C23 N4 N5 N6 1.2(5) . . . . ?
C23 N4 N5 C11 -175.7(4) . . . . ?
C23 C24 C25 C26 0.5(7) . . . . ?
C24 C23 C28 N6 -177.5(4) . . . . ?
C24 C23 C28 C27 1.5(7) . . . . ?
C24 C25 C26 C27 1.5(8) . . . . ?
C25 C26 C27 C28 -1.9(7) . . . . ?
C26 C27 C28 N6 179.2(4) . . . . ?
C26 C27 C28 C23 0.4(7) . . . . ?
C28 C23 C24 C25 -1.9(6) . . . . ?
C29 N7 C7 C6 62.5(4) . . . . ?
C29 N7 C8 C9 -66.6(4) . . . . ?
C31 N8 C30 C29 -167.4(4) . . . . ?
C32 N8 C30 C29 71.1(5) . . . . ?
C34 N9 C33 O3 174.3(4) . . . . ?
C35 N9 C33 O3 -0.7(7) . . . . ?
O1S C1S C2S C3S -18.8(13) . . . . ?
C1S O1S C4S C3S -22.7(8) . . . . ?
C1S C2S C3S C4S 3.9(14) . . . . ?
C2S C3S C4S O1S 13.0(11) . . . . ?
C4S O1S C1S C2S 24.6(10) . . . . ?

_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_ytcn218
_database_code_depnum_ccdc_archive 'CCDC 2090900'
loop_
_audit_author_name
_audit_author_address
'Po-Heng Lin'
;National Chung Hsing University
Taiwan
;
_audit_update_record             
;
2021-10-05 deposited with the CCDC.	2021-10-07 downloaded from the CCDC.
;
_audit_creation_date             2021-10-05
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2017.02.24 svn.r3390 for Rigaku Oxford Diffraction, GUI svn.r5318)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H43 Dy N10 O9, C O'
_chemical_formula_sum            'C41 H43 Dy N10 O10'
_chemical_formula_weight         998.35
_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      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                   9.1671(5)
_cell_length_b                   11.9694(8)
_cell_length_c                   19.5627(11)
_cell_angle_alpha                84.620(5)
_cell_angle_beta                 84.325(5)
_cell_angle_gamma                88.419(5)
_cell_volume                     2126.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8894
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.66
_cell_measurement_theta_min      2.54
_shelx_estimated_absorpt_T_max   0.797
_shelx_estimated_absorpt_T_min   0.593
_exptl_absorpt_coefficient_mu    1.827
_exptl_absorpt_correction_T_max  0.780
_exptl_absorpt_correction_T_min  0.609
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0653 before and 0.0509 after correction.
The Ratio of minimum to maximum transmission is 0.8591.
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    1.559
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1010
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0826
_diffrn_reflns_av_unetI/netI     0.1270
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14045
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.787
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6011
_reflns_number_total             7484
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.561
_refine_diff_density_min         -1.427
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         7484
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0615
_refine_ls_restrained_S_all      1.047
_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)+(0.0373P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1240
_refine_ls_wR_factor_ref         0.1352
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C1S(0.5) O1S(0.5) C1S'(0.5) O1S'(0.5)
3.a Riding coordinates:
 O9(H9)
3.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C29(H29A,H29B), C30(H30A,H30B)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C12(H12), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19),
 C24(H24), C25(H25), C26(H26), C27(H27), C35(H35), C36(H36), C38(H38)
3.d Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Dy Dy 0.29689(4) 0.05425(3) 0.26343(2) 0.02226(13) Uani 1 1 d . . . . .
O1 O 0.1295(5) 0.1125(4) 0.3418(2) 0.0248(12) Uani 1 1 d . . . . .
O2 O 0.3153(6) -0.1292(3) 0.2591(2) 0.0247(12) Uani 1 1 d . . . . .
O3 O 0.3555(6) 0.0662(4) 0.1478(3) 0.0335(13) Uani 1 1 d . . . . .
O4 O 0.5672(6) -0.0154(4) 0.2197(3) 0.0339(13) Uani 1 1 d . . . . .
O5 O 0.6768(7) -0.1691(4) 0.1954(3) 0.0457(15) Uani 1 1 d . . . . .
O6 O 0.1899(8) -0.0482(5) -0.0643(3) 0.0618(19) Uani 1 1 d . . . . .
O7 O 0.2986(8) -0.2061(5) -0.0808(3) 0.0586(19) Uani 1 1 d . . . . .
O8 O 0.1986(6) 0.2326(4) 0.2214(3) 0.0306(13) Uani 1 1 d . . . . .
H8 H 0.119(8) 0.264(5) 0.249(3) 0.017(18) Uiso 1 1 d . . . . .
O9 O 0.0756(6) -0.0088(4) 0.2287(3) 0.0329(13) Uani 1 1 d . . . . .
H9 H 0.084447 -0.080958 0.210860 0.040 Uiso 1 1 d R . . . .
N1 N 0.0035(7) 0.3343(5) 0.3209(3) 0.0301(16) Uani 1 1 d . . . . .
N2 N -0.0465(7) 0.3023(4) 0.3866(3) 0.0254(14) Uani 1 1 d . . . . .
N3 N -0.1662(7) 0.3559(5) 0.4115(3) 0.0301(16) Uani 1 1 d . . . . .
N4 N 0.0930(7) -0.2352(5) 0.1987(3) 0.0287(15) Uani 1 1 d . . . . .
N5 N 0.1868(7) -0.3148(5) 0.2191(3) 0.0281(15) Uani 1 1 d . . . . .
N6 N 0.2229(8) -0.3934(5) 0.1760(3) 0.0353(17) Uani 1 1 d . . . . .
N7 N 0.3856(6) -0.0227(4) 0.3832(3) 0.0195(13) Uani 1 1 d . . . . .
N8 N 0.4870(7) 0.1866(5) 0.2985(3) 0.0271(15) Uani 1 1 d . . . . .
N9 N 0.5874(7) -0.0936(5) 0.1826(3) 0.0304(16) Uani 1 1 d . . . . .
N10 N 0.2773(9) -0.1246(6) -0.0489(4) 0.0416(19) Uani 1 1 d . . . . .
C1 C 0.1119(8) 0.1328(5) 0.4076(3) 0.0202(16) Uani 1 1 d . . . . .
C2 C 0.0300(8) 0.2249(6) 0.4327(4) 0.0236(17) Uani 1 1 d . . . . .
C3 C 0.0194(8) 0.2460(6) 0.5016(4) 0.0289(18) Uani 1 1 d . . . . .
H3 H -0.034890 0.309780 0.516069 0.035 Uiso 1 1 calc R . . . .
C4 C 0.0863(8) 0.1755(6) 0.5493(4) 0.0270(18) Uani 1 1 d . . . . .
C5 C 0.1600(8) 0.0817(6) 0.5267(4) 0.0269(17) Uani 1 1 d . . . . .
H5 H 0.201818 0.030206 0.559571 0.032 Uiso 1 1 calc R . . . .
C6 C 0.1754(7) 0.0593(5) 0.4582(4) 0.0199(16) Uani 1 1 d . . . . .
C7 C 0.2576(8) -0.0423(5) 0.4358(4) 0.0224(16) Uani 1 1 d . . . . .
H7A H 0.292717 -0.084756 0.477110 0.027 Uiso 1 1 calc R . . . .
H7B H 0.188176 -0.090653 0.417091 0.027 Uiso 1 1 calc R . . . .
C8 C 0.4680(8) -0.1325(5) 0.3777(4) 0.0240(17) Uani 1 1 d . . . . .
H8A H 0.549874 -0.121603 0.340886 0.029 Uiso 1 1 calc R . . . .
H8B H 0.511212 -0.153536 0.421651 0.029 Uiso 1 1 calc R . . . .
C9 C 0.3773(8) -0.2277(5) 0.3624(4) 0.0238(17) Uani 1 1 d . . . . .
C10 C 0.3113(8) -0.2206(5) 0.2998(4) 0.0232(17) Uani 1 1 d . . . . .
C11 C 0.2474(8) -0.3186(5) 0.2843(4) 0.0225(17) Uani 1 1 d . . . . .
C12 C 0.2365(8) -0.4155(6) 0.3294(4) 0.0283(18) Uani 1 1 d . . . . .
H12 H 0.190931 -0.479660 0.316510 0.034 Uiso 1 1 calc R . . . .
C13 C 0.2913(9) -0.4194(6) 0.3925(4) 0.0297(19) Uani 1 1 d . . . . .
C14 C 0.3632(8) -0.3248(5) 0.4084(4) 0.0242(17) Uani 1 1 d . . . . .
H14 H 0.403361 -0.326423 0.451469 0.029 Uiso 1 1 calc R . . . .
C15 C -0.0942(9) 0.4151(5) 0.3021(4) 0.0286(18) Uani 1 1 d . . . . .
C16 C -0.0984(10) 0.4836(6) 0.2392(5) 0.041(2) Uani 1 1 d . . . . .
H16 H -0.029035 0.474497 0.200616 0.050 Uiso 1 1 calc R . . . .
C17 C -0.2077(10) 0.5634(7) 0.2370(5) 0.045(2) Uani 1 1 d . . . . .
H17 H -0.211437 0.612166 0.195966 0.054 Uiso 1 1 calc R . . . .
C18 C -0.3155(9) 0.5772(6) 0.2925(5) 0.041(2) Uani 1 1 d . . . . .
H18 H -0.390954 0.632407 0.287324 0.050 Uiso 1 1 calc R . . . .
C19 C -0.3125(9) 0.5117(6) 0.3540(5) 0.038(2) Uani 1 1 d . . . . .
H19 H -0.383483 0.520832 0.391995 0.045 Uiso 1 1 calc R . . . .
C20 C -0.1971(9) 0.4292(6) 0.3579(4) 0.0282(18) Uani 1 1 d . . . . .
C21 C 0.0787(10) 0.2009(7) 0.6244(4) 0.040(2) Uani 1 1 d . . . . .
H21A H 0.042132 0.277880 0.628545 0.060 Uiso 1 1 calc GR . . . .
H21B H 0.176815 0.192651 0.640346 0.060 Uiso 1 1 calc GR . . . .
H21C H 0.012325 0.148366 0.652659 0.060 Uiso 1 1 calc GR . . . .
C22 C 0.2717(10) -0.5210(6) 0.4446(4) 0.036(2) Uani 1 1 d . . . . .
H22A H 0.221289 -0.579483 0.424639 0.054 Uiso 1 1 calc GR . . . .
H22B H 0.213268 -0.499678 0.486171 0.054 Uiso 1 1 calc GR . . . .
H22C H 0.368018 -0.549600 0.456540 0.054 Uiso 1 1 calc GR . . . .
C23 C 0.0653(9) -0.2598(6) 0.1354(4) 0.0290(19) Uani 1 1 d . . . . .
C24 C -0.0251(9) -0.2067(7) 0.0877(4) 0.038(2) Uani 1 1 d . . . . .
H24 H -0.079648 -0.140163 0.096760 0.045 Uiso 1 1 calc R . . . .
C25 C -0.0305(11) -0.2551(7) 0.0279(5) 0.048(2) Uani 1 1 d . . . . .
H25 H -0.089466 -0.220846 -0.005807 0.057 Uiso 1 1 calc R . . . .
C26 C 0.0484(11) -0.3544(7) 0.0142(4) 0.051(3) Uani 1 1 d . . . . .
H26 H 0.039165 -0.385588 -0.028069 0.061 Uiso 1 1 calc R . . . .
C27 C 0.1387(11) -0.4083(7) 0.0598(4) 0.046(3) Uani 1 1 d . . . . .
H27 H 0.192786 -0.474553 0.049659 0.056 Uiso 1 1 calc R . . . .
C28 C 0.1462(10) -0.3599(6) 0.1218(4) 0.037(2) Uani 1 1 d . . . . .
C29 C 0.4851(8) 0.0590(5) 0.4063(3) 0.0212(16) Uani 1 1 d . . . . .
H29A H 0.550087 0.018902 0.438390 0.025 Uiso 1 1 calc R . . . .
H29B H 0.425920 0.114892 0.431848 0.025 Uiso 1 1 calc R . . . .
C30 C 0.5785(8) 0.1197(6) 0.3465(4) 0.0257(17) Uani 1 1 d . . . . .
H30A H 0.646337 0.170018 0.364679 0.031 Uiso 1 1 calc R . . . .
H30B H 0.638248 0.064028 0.321041 0.031 Uiso 1 1 calc R . . . .
C31 C 0.4157(8) 0.2835(6) 0.3316(4) 0.033(2) Uani 1 1 d . . . . .
H31A H 0.489974 0.326192 0.350211 0.049 Uiso 1 1 calc GR . . . .
H31B H 0.343001 0.256130 0.369137 0.049 Uiso 1 1 calc GR . . . .
H31C H 0.366935 0.332153 0.297305 0.049 Uiso 1 1 calc GR . . . .
C32 C 0.5877(9) 0.2328(6) 0.2383(4) 0.036(2) Uani 1 1 d . . . . .
H32A H 0.651379 0.288393 0.253171 0.054 Uiso 1 1 calc GR . . . .
H32B H 0.529738 0.268518 0.202478 0.054 Uiso 1 1 calc GR . . . .
H32C H 0.647938 0.171655 0.219673 0.054 Uiso 1 1 calc GR . . . .
C33 C 0.3938(9) -0.0150(5) 0.1109(4) 0.0260(18) Uani 1 1 d . . . . .
C34 C 0.5050(9) -0.0980(6) 0.1237(4) 0.0265(18) Uani 1 1 d . . . . .
C35 C 0.5385(9) -0.1855(6) 0.0824(4) 0.033(2) Uani 1 1 d . . . . .
H35 H 0.612752 -0.239039 0.093753 0.039 Uiso 1 1 calc R . . . .
C36 C 0.4668(10) -0.1951(6) 0.0264(4) 0.038(2) Uani 1 1 d . . . . .
H36 H 0.489844 -0.254170 -0.002314 0.045 Uiso 1 1 calc R . . . .
C37 C 0.3574(9) -0.1153(6) 0.0120(4) 0.0301(19) Uani 1 1 d . . . . .
C38 C 0.3206(9) -0.0296(6) 0.0521(4) 0.036(2) Uani 1 1 d . . . . .
H38 H 0.244069 0.021440 0.040183 0.043 Uiso 1 1 calc R . . . .
C39 C 0.1838(12) 0.2921(7) 0.1554(4) 0.059(3) Uani 1 1 d . . . . .
H39A H 0.178827 0.372989 0.160085 0.089 Uiso 1 1 calc GR . . . .
H39B H 0.093959 0.269213 0.137764 0.089 Uiso 1 1 calc GR . . . .
H39C H 0.268620 0.274908 0.123318 0.089 Uiso 1 1 calc GR . . . .
C40 C -0.0692(8) 0.0407(7) 0.2286(5) 0.039(2) Uani 1 1 d . . . . .
H40A H -0.142241 -0.018309 0.239028 0.059 Uiso 1 1 calc GR . . . .
H40B H -0.080959 0.079659 0.183124 0.059 Uiso 1 1 calc GR . . . .
H40C H -0.083007 0.094382 0.263683 0.059 Uiso 1 1 calc GR . . . .
C1S C 0.593(8) 0.511(5) 0.074(3) 0.23(3) Uiso 0.5 1 d . . P A 1
O1S O 0.594(3) 0.4837(16) 0.1097(12) 0.099(6) Uiso 0.5 1 d . . P A 1
C1S' C 0.466(3) 0.4843(19) 0.1000(14) 0.073(7) Uiso 0.5 1 d . . P B 2
O1S' O 0.486(3) 0.454(2) 0.0432(14) 0.161(9) Uiso 0.5 1 d . . P B 2


_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
Dy O1 2.206(5) . ?
Dy O2 2.207(4) . ?
Dy O3 2.264(5) . ?
Dy O4 2.677(6) . ?
Dy O8 2.399(5) . ?
Dy O9 2.366(5) . ?
Dy N7 2.633(6) . ?
Dy N8 2.572(6) . ?
O1 C1 1.327(8) . ?
O2 C10 1.290(8) . ?
O3 C33 1.285(8) . ?
O4 N9 1.237(7) . ?
O5 N9 1.228(8) . ?
O6 N10 1.235(10) . ?
O7 N10 1.208(8) . ?
O8 H8 0.96(6) . ?
O8 C39 1.431(9) . ?
O9 H9 0.9599 . ?
O9 C40 1.439(9) . ?
N1 N2 1.345(8) . ?
N1 C15 1.351(9) . ?
N2 N3 1.329(8) . ?
N2 C2 1.449(9) . ?
N3 C20 1.350(9) . ?
N4 N5 1.326(8) . ?
N4 C23 1.349(9) . ?
N5 N6 1.335(8) . ?
N5 C11 1.437(9) . ?
N6 C28 1.354(10) . ?
N7 C7 1.490(8) . ?
N7 C8 1.505(8) . ?
N7 C29 1.485(8) . ?
N8 C30 1.485(9) . ?
N8 C31 1.486(9) . ?
N8 C32 1.496(8) . ?
N9 C34 1.444(10) . ?
N10 C37 1.475(10) . ?
C1 C2 1.415(10) . ?
C1 C6 1.419(10) . ?
C2 C3 1.387(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.376(11) . ?
C4 C5 1.380(10) . ?
C4 C21 1.523(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.383(9) . ?
C6 C7 1.491(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.498(9) . ?
C9 C10 1.414(10) . ?
C9 C14 1.403(9) . ?
C10 C11 1.396(9) . ?
C11 C12 1.390(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.374(11) . ?
C13 C14 1.401(9) . ?
C13 C22 1.513(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.417(10) . ?
C15 C20 1.390(10) . ?
C16 H16 0.9500 . ?
C16 C17 1.366(11) . ?
C17 H17 0.9500 . ?
C17 C18 1.413(11) . ?
C18 H18 0.9500 . ?
C18 C19 1.375(11) . ?
C19 H19 0.9500 . ?
C19 C20 1.430(11) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.405(11) . ?
C23 C28 1.424(11) . ?
C24 H24 0.9500 . ?
C24 C25 1.360(11) . ?
C25 H25 0.9500 . ?
C25 C26 1.408(13) . ?
C26 H26 0.9500 . ?
C26 C27 1.380(13) . ?
C27 H27 0.9500 . ?
C27 C28 1.401(11) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.519(9) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.428(11) . ?
C33 C38 1.415(11) . ?
C34 C35 1.392(10) . ?
C35 H35 0.9500 . ?
C35 C36 1.347(11) . ?
C36 H36 0.9500 . ?
C36 C37 1.396(12) . ?
C37 C38 1.363(10) . ?
C38 H38 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C1S O1S 0.75(7) . ?
C1S' O1S' 1.19(3) . ?

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 Dy O2 115.67(16) . . ?
O1 Dy O3 141.12(19) . . ?
O1 Dy O4 153.44(18) . . ?
O1 Dy O8 70.73(17) . . ?
O1 Dy O9 76.91(18) . . ?
O1 Dy N7 74.58(18) . . ?
O1 Dy N8 91.20(18) . . ?
O2 Dy O3 85.86(17) . . ?
O2 Dy O4 66.91(16) . . ?
O2 Dy O8 149.46(18) . . ?
O2 Dy O9 71.65(18) . . ?
O2 Dy N7 75.42(17) . . ?
O2 Dy N8 128.07(19) . . ?
O3 Dy O4 63.46(18) . . ?
O3 Dy O8 75.05(18) . . ?
O3 Dy O9 80.47(19) . . ?
O3 Dy N7 144.22(19) . . ?
O3 Dy N8 100.28(18) . . ?
O8 Dy O4 121.71(16) . . ?
O8 Dy N7 132.75(17) . . ?
O8 Dy N8 79.50(19) . . ?
O9 Dy O4 125.76(16) . . ?
O9 Dy O8 81.70(18) . . ?
O9 Dy N7 120.29(17) . . ?
O9 Dy N8 160.26(19) . . ?
N7 Dy O4 81.08(17) . . ?
N8 Dy O4 70.32(17) . . ?
N8 Dy N7 70.08(17) . . ?
C1 O1 Dy 141.1(5) . . ?
C10 O2 Dy 140.0(4) . . ?
C33 O3 Dy 127.0(4) . . ?
N9 O4 Dy 121.5(4) . . ?
Dy O8 H8 118(4) . . ?
C39 O8 Dy 136.5(5) . . ?
C39 O8 H8 101(4) . . ?
Dy O9 H9 113.8 . . ?
C40 O9 Dy 132.3(4) . . ?
C40 O9 H9 113.9 . . ?
N2 N1 C15 102.8(6) . . ?
N1 N2 C2 124.4(6) . . ?
N3 N2 N1 116.1(6) . . ?
N3 N2 C2 119.1(6) . . ?
N2 N3 C20 103.2(6) . . ?
N5 N4 C23 104.5(6) . . ?
N4 N5 N6 116.7(6) . . ?
N4 N5 C11 122.7(6) . . ?
N6 N5 C11 120.6(6) . . ?
N5 N6 C28 102.5(7) . . ?
C7 N7 Dy 110.4(4) . . ?
C7 N7 C8 107.8(5) . . ?
C8 N7 Dy 110.8(4) . . ?
C29 N7 Dy 109.8(4) . . ?
C29 N7 C7 109.8(5) . . ?
C29 N7 C8 108.2(5) . . ?
C30 N8 Dy 107.4(4) . . ?
C30 N8 C31 110.8(6) . . ?
C30 N8 C32 107.2(6) . . ?
C31 N8 Dy 111.6(4) . . ?
C31 N8 C32 107.4(6) . . ?
C32 N8 Dy 112.3(4) . . ?
O4 N9 C34 120.3(6) . . ?
O5 N9 O4 120.7(7) . . ?
O5 N9 C34 118.9(6) . . ?
O6 N10 C37 117.7(7) . . ?
O7 N10 O6 123.2(8) . . ?
O7 N10 C37 119.1(8) . . ?
O1 C1 C2 124.1(7) . . ?
O1 C1 C6 120.3(6) . . ?
C2 C1 C6 115.6(6) . . ?
C1 C2 N2 120.7(6) . . ?
C3 C2 N2 117.0(6) . . ?
C3 C2 C1 122.4(7) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.8(7) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 C5 117.8(7) . . ?
C3 C4 C21 120.8(7) . . ?
C5 C4 C21 121.4(7) . . ?
C4 C5 H5 118.6 . . ?
C4 C5 C6 122.9(7) . . ?
C6 C5 H5 118.6 . . ?
C1 C6 C7 118.5(6) . . ?
C5 C6 C1 120.3(7) . . ?
C5 C6 C7 121.2(6) . . ?
N7 C7 C6 116.6(5) . . ?
N7 C7 H7A 108.1 . . ?
N7 C7 H7B 108.1 . . ?
C6 C7 H7A 108.1 . . ?
C6 C7 H7B 108.1 . . ?
H7A C7 H7B 107.3 . . ?
N7 C8 H8A 108.6 . . ?
N7 C8 H8B 108.6 . . ?
H8A C8 H8B 107.6 . . ?
C9 C8 N7 114.7(6) . . ?
C9 C8 H8A 108.6 . . ?
C9 C8 H8B 108.6 . . ?
C10 C9 C8 119.3(6) . . ?
C14 C9 C8 120.3(7) . . ?
C14 C9 C10 120.3(6) . . ?
O2 C10 C9 121.0(6) . . ?
O2 C10 C11 123.0(7) . . ?
C11 C10 C9 116.0(6) . . ?
C10 C11 N5 116.8(6) . . ?
C12 C11 N5 120.0(6) . . ?
C12 C11 C10 123.2(7) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.5(7) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 C14 118.0(6) . . ?
C12 C13 C22 121.6(7) . . ?
C14 C13 C22 120.4(7) . . ?
C9 C14 H14 119.2 . . ?
C13 C14 C9 121.6(7) . . ?
C13 C14 H14 119.2 . . ?
N1 C15 C16 129.9(7) . . ?
N1 C15 C20 108.9(7) . . ?
C20 C15 C16 121.1(7) . . ?
C15 C16 H16 121.8 . . ?
C17 C16 C15 116.4(8) . . ?
C17 C16 H16 121.8 . . ?
C16 C17 H17 118.3 . . ?
C16 C17 C18 123.4(8) . . ?
C18 C17 H17 118.3 . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.9(8) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 121.7 . . ?
C18 C19 C20 116.6(8) . . ?
C20 C19 H19 121.7 . . ?
N3 C20 C15 109.1(7) . . ?
N3 C20 C19 129.3(7) . . ?
C15 C20 C19 121.7(7) . . ?
C4 C21 H21A 109.5 . . ?
C4 C21 H21B 109.5 . . ?
C4 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C13 C22 H22A 109.5 . . ?
C13 C22 H22B 109.5 . . ?
C13 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C24 131.6(8) . . ?
N4 C23 C28 106.9(7) . . ?
C24 C23 C28 121.5(8) . . ?
C23 C24 H24 121.7 . . ?
C25 C24 C23 116.7(8) . . ?
C25 C24 H24 121.7 . . ?
C24 C25 H25 118.9 . . ?
C24 C25 C26 122.2(9) . . ?
C26 C25 H25 118.9 . . ?
C25 C26 H26 118.7 . . ?
C27 C26 C25 122.5(8) . . ?
C27 C26 H26 118.7 . . ?
C26 C27 H27 121.8 . . ?
C26 C27 C28 116.4(9) . . ?
C28 C27 H27 121.8 . . ?
N6 C28 C23 109.3(7) . . ?
N6 C28 C27 129.9(8) . . ?
C27 C28 C23 120.8(8) . . ?
N7 C29 H29A 109.1 . . ?
N7 C29 H29B 109.1 . . ?
N7 C29 C30 112.4(5) . . ?
H29A C29 H29B 107.9 . . ?
C30 C29 H29A 109.1 . . ?
C30 C29 H29B 109.1 . . ?
N8 C30 C29 111.6(6) . . ?
N8 C30 H30A 109.3 . . ?
N8 C30 H30B 109.3 . . ?
C29 C30 H30A 109.3 . . ?
C29 C30 H30B 109.3 . . ?
H30A C30 H30B 108.0 . . ?
N8 C31 H31A 109.5 . . ?
N8 C31 H31B 109.5 . . ?
N8 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N8 C32 H32A 109.5 . . ?
N8 C32 H32B 109.5 . . ?
N8 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O3 C33 C34 126.3(7) . . ?
O3 C33 C38 119.9(7) . . ?
C38 C33 C34 113.7(7) . . ?
C33 C34 N9 119.5(6) . . ?
C35 C34 N9 117.2(7) . . ?
C35 C34 C33 123.3(7) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 C34 120.7(8) . . ?
C36 C35 H35 119.6 . . ?
C35 C36 H36 121.2 . . ?
C35 C36 C37 117.7(7) . . ?
C37 C36 H36 121.2 . . ?
C36 C37 N10 118.5(7) . . ?
C38 C37 N10 118.5(8) . . ?
C38 C37 C36 123.0(8) . . ?
C33 C38 H38 119.2 . . ?
C37 C38 C33 121.6(8) . . ?
C37 C38 H38 119.2 . . ?
O8 C39 H39A 109.5 . . ?
O8 C39 H39B 109.5 . . ?
O8 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O9 C40 H40A 109.5 . . ?
O9 C40 H40B 109.5 . . ?
O9 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 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
Dy O1 C1 C2 140.5(6) . . . . ?
Dy O1 C1 C6 -40.3(9) . . . . ?
Dy O2 C10 C9 -39.7(11) . . . . ?
Dy O2 C10 C11 142.5(6) . . . . ?
Dy O3 C33 C34 -50.5(10) . . . . ?
Dy O3 C33 C38 127.9(6) . . . . ?
Dy O4 N9 O5 -133.4(6) . . . . ?
Dy O4 N9 C34 46.0(8) . . . . ?
Dy N7 C7 C6 -69.0(7) . . . . ?
Dy N7 C8 C9 -66.0(6) . . . . ?
Dy N7 C29 C30 -34.4(7) . . . . ?
Dy N8 C30 C29 -53.3(6) . . . . ?
O1 C1 C2 N2 2.6(10) . . . . ?
O1 C1 C2 C3 -177.2(6) . . . . ?
O1 C1 C6 C5 178.6(6) . . . . ?
O1 C1 C6 C7 -1.9(9) . . . . ?
O2 C10 C11 N5 1.1(10) . . . . ?
O2 C10 C11 C12 -176.8(7) . . . . ?
O3 C33 C34 N9 -1.0(11) . . . . ?
O3 C33 C34 C35 178.4(7) . . . . ?
O3 C33 C38 C37 -179.4(6) . . . . ?
O4 N9 C34 C33 -3.6(10) . . . . ?
O4 N9 C34 C35 177.0(6) . . . . ?
O5 N9 C34 C33 175.8(6) . . . . ?
O5 N9 C34 C35 -3.6(10) . . . . ?
O6 N10 C37 C36 -173.9(7) . . . . ?
O6 N10 C37 C38 6.6(11) . . . . ?
O7 N10 C37 C36 6.8(11) . . . . ?
O7 N10 C37 C38 -172.7(7) . . . . ?
N1 N2 N3 C20 -0.1(8) . . . . ?
N1 N2 C2 C1 -35.9(10) . . . . ?
N1 N2 C2 C3 143.8(7) . . . . ?
N1 C15 C16 C17 -176.3(8) . . . . ?
N1 C15 C20 N3 -1.1(9) . . . . ?
N1 C15 C20 C19 178.2(7) . . . . ?
N2 N1 C15 C16 178.0(8) . . . . ?
N2 N1 C15 C20 1.0(8) . . . . ?
N2 N3 C20 C15 0.7(8) . . . . ?
N2 N3 C20 C19 -178.5(7) . . . . ?
N2 C2 C3 C4 178.8(6) . . . . ?
N3 N2 C2 C1 151.9(6) . . . . ?
N3 N2 C2 C3 -28.3(9) . . . . ?
N4 N5 N6 C28 1.0(8) . . . . ?
N4 N5 C11 C10 -51.5(9) . . . . ?
N4 N5 C11 C12 126.5(7) . . . . ?
N4 C23 C24 C25 -178.8(7) . . . . ?
N4 C23 C28 N6 -0.9(8) . . . . ?
N4 C23 C28 C27 179.1(7) . . . . ?
N5 N4 C23 C24 180.0(8) . . . . ?
N5 N4 C23 C28 1.4(7) . . . . ?
N5 N6 C28 C23 0.0(8) . . . . ?
N5 N6 C28 C27 180.0(8) . . . . ?
N5 C11 C12 C13 -178.6(7) . . . . ?
N6 N5 C11 C10 128.9(7) . . . . ?
N6 N5 C11 C12 -53.1(10) . . . . ?
N7 C8 C9 C10 62.3(9) . . . . ?
N7 C8 C9 C14 -120.4(7) . . . . ?
N7 C29 C30 N8 61.9(8) . . . . ?
N9 C34 C35 C36 -179.8(7) . . . . ?
N10 C37 C38 C33 -179.4(6) . . . . ?
C1 C2 C3 C4 -1.5(11) . . . . ?
C1 C6 C7 N7 59.1(9) . . . . ?
C2 N2 N3 C20 172.7(6) . . . . ?
C2 C1 C6 C5 -2.2(9) . . . . ?
C2 C1 C6 C7 177.3(6) . . . . ?
C2 C3 C4 C5 -2.1(10) . . . . ?
C2 C3 C4 C21 178.0(6) . . . . ?
C3 C4 C5 C6 3.6(10) . . . . ?
C4 C5 C6 C1 -1.3(10) . . . . ?
C4 C5 C6 C7 179.1(6) . . . . ?
C5 C6 C7 N7 -121.4(7) . . . . ?
C6 C1 C2 N2 -176.7(6) . . . . ?
C6 C1 C2 C3 3.6(10) . . . . ?
C7 N7 C8 C9 54.9(7) . . . . ?
C7 N7 C29 C30 -155.9(6) . . . . ?
C8 N7 C7 C6 169.8(6) . . . . ?
C8 N7 C29 C30 86.7(7) . . . . ?
C8 C9 C10 O2 -7.2(11) . . . . ?
C8 C9 C10 C11 170.7(6) . . . . ?
C8 C9 C14 C13 -173.6(7) . . . . ?
C9 C10 C11 N5 -176.7(7) . . . . ?
C9 C10 C11 C12 5.3(10) . . . . ?
C10 C9 C14 C13 3.6(11) . . . . ?
C10 C11 C12 C13 -0.7(11) . . . . ?
C11 N5 N6 C28 -179.3(6) . . . . ?
C11 C12 C13 C14 -2.6(11) . . . . ?
C11 C12 C13 C22 175.7(7) . . . . ?
C12 C13 C14 C9 1.2(11) . . . . ?
C14 C9 C10 O2 175.5(6) . . . . ?
C14 C9 C10 C11 -6.6(10) . . . . ?
C15 N1 N2 N3 -0.5(8) . . . . ?
C15 N1 N2 C2 -172.9(6) . . . . ?
C15 C16 C17 C18 -2.0(13) . . . . ?
C16 C15 C20 N3 -178.4(7) . . . . ?
C16 C15 C20 C19 0.9(12) . . . . ?
C16 C17 C18 C19 2.3(14) . . . . ?
C17 C18 C19 C20 -0.9(12) . . . . ?
C18 C19 C20 N3 178.6(8) . . . . ?
C18 C19 C20 C15 -0.6(11) . . . . ?
C20 C15 C16 C17 0.4(12) . . . . ?
C21 C4 C5 C6 -176.5(6) . . . . ?
C22 C13 C14 C9 -177.2(7) . . . . ?
C23 N4 N5 N6 -1.6(8) . . . . ?
C23 N4 N5 C11 178.8(6) . . . . ?
C23 C24 C25 C26 0.8(12) . . . . ?
C24 C23 C28 N6 -179.7(7) . . . . ?
C24 C23 C28 C27 0.3(12) . . . . ?
C24 C25 C26 C27 -1.3(14) . . . . ?
C25 C26 C27 C28 1.1(13) . . . . ?
C26 C27 C28 N6 179.3(8) . . . . ?
C26 C27 C28 C23 -0.7(12) . . . . ?
C28 C23 C24 C25 -0.4(11) . . . . ?
C29 N7 C7 C6 52.2(8) . . . . ?
C29 N7 C8 C9 173.6(5) . . . . ?
C31 N8 C30 C29 68.8(7) . . . . ?
C32 N8 C30 C29 -174.2(6) . . . . ?
C33 C34 C35 C36 0.9(11) . . . . ?
C34 C33 C38 C37 -0.9(10) . . . . ?
C34 C35 C36 C37 -0.7(11) . . . . ?
C35 C36 C37 N10 -179.8(7) . . . . ?
C35 C36 C37 C38 -0.3(11) . . . . ?
C36 C37 C38 C33 1.1(11) . . . . ?
C38 C33 C34 N9 -179.4(6) . . . . ?
C38 C33 C34 C35 -0.1(10) . . . . ?

_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_ytcn119
_database_code_depnum_ccdc_archive 'CCDC 2090899'
loop_
_audit_author_name
_audit_author_address
'Po-Heng Lin'
;National Chung Hsing University
Taiwan
;
_audit_update_record             
;
2021-10-05 deposited with the CCDC.	2021-10-07 downloaded from the CCDC.
;
_audit_creation_date             2021-10-05
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2017.02.24 svn.r3390 for Rigaku Oxford Diffraction, GUI svn.r5318)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H42 Dy N11 O11'
_chemical_formula_sum            'C40 H42 Dy N11 O11'
_chemical_formula_weight         1015.34
_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      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                   9.2418(4)
_cell_length_b                   11.8854(4)
_cell_length_c                   19.2808(7)
_cell_angle_alpha                81.334(3)
_cell_angle_beta                 82.417(3)
_cell_angle_gamma                88.254(3)
_cell_volume                     2075.24(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9010
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.88
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.705
_shelx_estimated_absorpt_T_min   0.560
_exptl_absorpt_coefficient_mu    1.875
_exptl_absorpt_correction_T_max  0.687
_exptl_absorpt_correction_T_min  0.575
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0653 before and 0.0509 after correction.
The Ratio of minimum to maximum transmission is 0.8591.
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    1.625
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1026
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_unetI/netI     0.0659
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15381
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.803
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6334
_reflns_number_total             7256
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.801
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         7256
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0362
_refine_ls_restrained_S_all      1.071
_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)+(0.0208P)²+0.3322P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0710
_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.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C29(H29A,H29B), C30(H30A,H30B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C12(H12), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19),
 C24(H24), C25(H25), C26(H26), C27(H27), C35(H35), C37(H37)
2.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Dy Dy 0.29149(2) 1.04670(2) 0.25784(2) 0.01532(7) Uani 1 1 d . . . . .
O1 O 0.1233(3) 1.1088(2) 0.33643(13) 0.0183(6) Uani 1 1 d . . . . .
O2 O 0.3222(3) 0.8630(2) 0.26352(13) 0.0186(6) Uani 1 1 d . . . . .
O3 O 0.3431(3) 1.0398(2) 0.13511(13) 0.0220(7) Uani 1 1 d . . . . .
O4 O 0.5608(3) 0.9928(2) 0.21119(14) 0.0228(7) Uani 1 1 d . . . . .
O5 O 0.6762(3) 0.8332(2) 0.20610(15) 0.0309(8) Uani 1 1 d . . . . .
O6 O 0.6608(4) 0.6160(3) 0.02579(17) 0.0456(10) Uani 1 1 d . . . . .
O7 O 0.5048(4) 0.6525(3) -0.05080(17) 0.0437(9) Uani 1 1 d . . . . .
O8 O 0.2147(4) 0.9932(3) -0.05175(16) 0.0383(8) Uani 1 1 d . . . . .
O9 O 0.1340(4) 1.0423(3) 0.04978(18) 0.0508(10) Uani 1 1 d . . . . .
O10 O 0.1901(3) 1.2189(2) 0.20433(15) 0.0235(7) Uani 1 1 d . . . . .
H10 H 0.143(5) 1.248(4) 0.235(2) 0.031(14) Uiso 1 1 d . . . . .
O11 O 0.0711(3) 0.9724(3) 0.23410(17) 0.0258(8) Uani 1 1 d . . . . .
H11 H 0.077(5) 0.918(3) 0.223(2) 0.018(14) Uiso 1 1 d . . . . .
N1 N -0.0007(4) 1.3288(3) 0.30065(17) 0.0206(8) Uani 1 1 d . . . . .
N2 N -0.0490(4) 1.3039(3) 0.37046(17) 0.0202(8) Uani 1 1 d . . . . .
N3 N -0.1703(4) 1.3601(3) 0.39338(18) 0.0252(9) Uani 1 1 d . . . . .
N4 N 0.1065(4) 0.7433(3) 0.20953(16) 0.0198(8) Uani 1 1 d . . . . .
N5 N 0.2041(4) 0.6670(3) 0.23429(17) 0.0183(8) Uani 1 1 d . . . . .
N6 N 0.2601(4) 0.5929(3) 0.19149(17) 0.0232(9) Uani 1 1 d . . . . .
N7 N 0.3828(4) 0.9812(3) 0.38250(16) 0.0166(8) Uani 1 1 d . . . . .
N8 N 0.4761(4) 1.1932(3) 0.28125(17) 0.0195(8) Uani 1 1 d . . . . .
N9 N 0.5858(4) 0.9037(3) 0.18439(17) 0.0208(8) Uani 1 1 d . . . . .
N10 N 0.5602(5) 0.6722(3) 0.0011(2) 0.0337(10) Uani 1 1 d . . . . .
N11 N 0.2214(4) 0.9926(3) 0.0118(2) 0.0289(9) Uani 1 1 d . . . . .
C1 C 0.1065(4) 1.1352(3) 0.4009(2) 0.0174(9) Uani 1 1 d . . . . .
C2 C 0.0264(4) 1.2311(3) 0.4202(2) 0.0186(9) Uani 1 1 d . . . . .
C3 C 0.0175(5) 1.2592(4) 0.4889(2) 0.0227(10) Uani 1 1 d . . . . .
H3 H -0.036542 1.325049 0.499784 0.027 Uiso 1 1 calc R . . . .
C4 C 0.0845(5) 1.1943(4) 0.5407(2) 0.0219(10) Uani 1 1 d . . . . .
C5 C 0.1598(4) 1.0959(3) 0.5232(2) 0.0205(10) Uani 1 1 d . . . . .
H5 H 0.203893 1.047811 0.558667 0.025 Uiso 1 1 calc R . . . .
C6 C 0.1718(4) 1.0666(3) 0.4553(2) 0.0185(9) Uani 1 1 d . . . . .
C7 C 0.2530(5) 0.9606(3) 0.4385(2) 0.0206(10) Uani 1 1 d . . . . .
H7A H 0.184710 0.909978 0.422863 0.025 Uiso 1 1 calc R . . . .
H7B H 0.286553 0.920182 0.482402 0.025 Uiso 1 1 calc R . . . .
C8 C 0.4674(4) 0.8719(3) 0.3825(2) 0.0178(9) Uani 1 1 d . . . . .
H8A H 0.510219 0.855196 0.427456 0.021 Uiso 1 1 calc R . . . .
H8B H 0.549287 0.882724 0.343546 0.021 Uiso 1 1 calc R . . . .
C9 C 0.3815(4) 0.7699(3) 0.3743(2) 0.0155(9) Uani 1 1 d . . . . .
C10 C 0.3192(4) 0.7704(3) 0.3112(2) 0.0172(9) Uani 1 1 d . . . . .
C11 C 0.2572(4) 0.6692(3) 0.3010(2) 0.0178(9) Uani 1 1 d . . . . .
C12 C 0.2516(4) 0.5721(3) 0.3507(2) 0.0197(10) Uani 1 1 d . . . . .
H12 H 0.209494 0.504836 0.341373 0.024 Uiso 1 1 calc R . . . .
C13 C 0.3073(5) 0.5722(3) 0.4141(2) 0.0212(10) Uani 1 1 d . . . . .
C14 C 0.3718(5) 0.6717(3) 0.4243(2) 0.0204(10) Uani 1 1 d . . . . .
H14 H 0.411019 0.672672 0.467351 0.024 Uiso 1 1 calc R . . . .
C15 C -0.0999(5) 1.4061(3) 0.2765(2) 0.0230(10) Uani 1 1 d . . . . .
C16 C -0.1118(5) 1.4625(3) 0.2076(2) 0.0301(11) Uani 1 1 d . . . . .
H16 H -0.042400 1.450095 0.168486 0.036 Uiso 1 1 calc R . . . .
C17 C -0.2273(5) 1.5357(4) 0.1996(3) 0.0353(12) Uani 1 1 d . . . . .
H17 H -0.238244 1.574147 0.153662 0.042 Uiso 1 1 calc R . . . .
C18 C -0.3311(5) 1.5565(4) 0.2572(3) 0.0366(13) Uani 1 1 d . . . . .
H18 H -0.409338 1.608424 0.248938 0.044 Uiso 1 1 calc R . . . .
C19 C -0.3216(5) 1.5038(4) 0.3243(3) 0.0327(12) Uani 1 1 d . . . . .
H19 H -0.390841 1.518436 0.363024 0.039 Uiso 1 1 calc R . . . .
C20 C -0.2038(5) 1.4263(3) 0.3339(2) 0.0214(10) Uani 1 1 d . . . . .
C21 C 0.0807(5) 1.2273(4) 0.6139(2) 0.0348(12) Uani 1 1 d . . . . .
H21A H 0.020924 1.296267 0.617149 0.052 Uiso 1 1 calc GR . . . .
H21B H 0.180241 1.241676 0.622478 0.052 Uiso 1 1 calc GR . . . .
H21C H 0.038598 1.165182 0.649464 0.052 Uiso 1 1 calc GR . . . .
C22 C 0.2967(5) 0.4684(3) 0.4705(2) 0.0322(12) Uani 1 1 d . . . . .
H22A H 0.391213 0.454036 0.488171 0.048 Uiso 1 1 calc GR . . . .
H22B H 0.269998 0.402330 0.450241 0.048 Uiso 1 1 calc GR . . . .
H22C H 0.222085 0.481749 0.509554 0.048 Uiso 1 1 calc GR . . . .
C23 C 0.0961(5) 0.7159(3) 0.1446(2) 0.0193(9) Uani 1 1 d . . . . .
C24 C 0.0119(5) 0.7659(4) 0.0925(2) 0.0278(11) Uani 1 1 d . . . . .
H24 H -0.051924 0.828431 0.099749 0.033 Uiso 1 1 calc R . . . .
C25 C 0.0260(6) 0.7203(4) 0.0307(2) 0.0385(13) Uani 1 1 d . . . . .
H25 H -0.030271 0.751506 -0.005574 0.046 Uiso 1 1 calc R . . . .
C26 C 0.1231(6) 0.6272(4) 0.0195(2) 0.0356(12) Uani 1 1 d . . . . .
H26 H 0.129508 0.598524 -0.024201 0.043 Uiso 1 1 calc R . . . .
C27 C 0.2068(6) 0.5781(4) 0.0689(2) 0.0317(12) Uani 1 1 d . . . . .
H27 H 0.271710 0.516520 0.060705 0.038 Uiso 1 1 calc R . . . .
C28 C 0.1918(5) 0.6239(3) 0.1335(2) 0.0209(10) Uani 1 1 d . . . . .
C29 C 0.4781(4) 1.0704(3) 0.3980(2) 0.0183(9) Uani 1 1 d . . . . .
H29A H 0.544471 1.034795 0.431538 0.022 Uiso 1 1 calc R . . . .
H29B H 0.416273 1.126858 0.421470 0.022 Uiso 1 1 calc R . . . .
C30 C 0.5688(4) 1.1320(3) 0.3327(2) 0.0212(10) Uani 1 1 d . . . . .
H30A H 0.632717 1.187304 0.347089 0.025 Uiso 1 1 calc R . . . .
H30B H 0.632040 1.076155 0.309444 0.025 Uiso 1 1 calc R . . . .
C31 C 0.3994(5) 1.2901(3) 0.3106(2) 0.0271(11) Uani 1 1 d . . . . .
H31A H 0.469870 1.336010 0.327548 0.041 Uiso 1 1 calc GR . . . .
H31B H 0.325459 1.261295 0.350002 0.041 Uiso 1 1 calc GR . . . .
H31C H 0.351989 1.337255 0.273630 0.041 Uiso 1 1 calc GR . . . .
C32 C 0.5719(5) 1.2428(4) 0.2164(2) 0.0275(11) Uani 1 1 d . . . . .
H32A H 0.637096 1.298435 0.228476 0.041 Uiso 1 1 calc GR . . . .
H32B H 0.511666 1.280667 0.181435 0.041 Uiso 1 1 calc GR . . . .
H32C H 0.630221 1.182148 0.196681 0.041 Uiso 1 1 calc GR . . . .
C33 C 0.3928(4) 0.9560(3) 0.1046(2) 0.0175(9) Uani 1 1 d . . . . .
C34 C 0.5112(4) 0.8829(3) 0.12608(19) 0.0151(9) Uani 1 1 d . . . . .
C35 C 0.5641(5) 0.7918(3) 0.0935(2) 0.0218(10) Uani 1 1 d . . . . .
H35 H 0.640900 0.745327 0.110786 0.026 Uiso 1 1 calc R . . . .
C36 C 0.5033(5) 0.7692(3) 0.0352(2) 0.0218(10) Uani 1 1 d . . . . .
C37 C 0.3933(5) 0.8364(3) 0.0091(2) 0.0227(10) Uani 1 1 d . . . . .
H37 H 0.354892 0.821283 -0.031894 0.027 Uiso 1 1 calc R . . . .
C38 C 0.3395(5) 0.9258(3) 0.0428(2) 0.0209(10) Uani 1 1 d . . . . .
C39 C 0.1574(6) 1.2646(4) 0.1357(2) 0.0470(16) Uani 1 1 d . . . . .
H39A H 0.193780 1.342566 0.123243 0.070 Uiso 1 1 calc GR . . . .
H39B H 0.051509 1.265018 0.135266 0.070 Uiso 1 1 calc GR . . . .
H39C H 0.204442 1.217673 0.101317 0.070 Uiso 1 1 calc GR . . . .
C40 C -0.0688(5) 1.0186(4) 0.2244(3) 0.0375(12) Uani 1 1 d . . . . .
H40A H -0.143478 0.963455 0.247172 0.056 Uiso 1 1 calc GR . . . .
H40B H -0.076665 1.035793 0.173714 0.056 Uiso 1 1 calc GR . . . .
H40C H -0.083145 1.088711 0.245641 0.056 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
Dy O1 2.214(2) . ?
Dy O2 2.181(3) . ?
Dy O3 2.365(2) . ?
Dy O4 2.627(3) . ?
Dy O10 2.374(3) . ?
Dy O11 2.369(3) . ?
Dy N7 2.651(3) . ?
Dy N8 2.601(3) . ?
O1 C1 1.315(4) . ?
O2 C10 1.323(4) . ?
O3 C33 1.276(4) . ?
O4 N9 1.248(4) . ?
O5 N9 1.233(4) . ?
O6 N10 1.233(5) . ?
O7 N10 1.238(5) . ?
O8 N11 1.235(4) . ?
O9 N11 1.218(4) . ?
O10 H10 0.80(4) . ?
O10 C39 1.419(5) . ?
O11 H11 0.71(4) . ?
O11 C40 1.413(5) . ?
N1 N2 1.352(4) . ?
N1 C15 1.354(5) . ?
N2 N3 1.346(4) . ?
N2 C2 1.429(5) . ?
N3 C20 1.355(5) . ?
N4 N5 1.340(4) . ?
N4 C23 1.357(5) . ?
N5 N6 1.343(4) . ?
N5 C11 1.439(5) . ?
N6 C28 1.354(5) . ?
N7 C7 1.504(5) . ?
N7 C8 1.495(4) . ?
N7 C29 1.488(5) . ?
N8 C30 1.488(5) . ?
N8 C31 1.481(5) . ?
N8 C32 1.487(5) . ?
N9 C34 1.449(5) . ?
N10 C36 1.461(5) . ?
N11 C38 1.468(5) . ?
C1 C2 1.411(5) . ?
C1 C6 1.417(6) . ?
C2 C3 1.406(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.370(6) . ?
C4 C5 1.405(5) . ?
C4 C21 1.518(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.394(5) . ?
C6 C7 1.502(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.509(5) . ?
C9 C10 1.412(5) . ?
C9 C14 1.394(5) . ?
C10 C11 1.399(5) . ?
C11 C12 1.382(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.388(6) . ?
C13 C14 1.391(6) . ?
C13 C22 1.513(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.410(6) . ?
C15 C20 1.411(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.367(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.416(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.362(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.418(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.401(6) . ?
C23 C28 1.408(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.371(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.427(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.358(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.422(5) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.519(5) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.441(5) . ?
C33 C38 1.444(6) . ?
C34 C35 1.377(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.387(6) . ?
C36 C37 1.375(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.375(5) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 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 Dy O3 141.08(10) . . ?
O1 Dy O4 153.01(9) . . ?
O1 Dy O10 71.56(10) . . ?
O1 Dy O11 76.21(10) . . ?
O1 Dy N7 74.42(9) . . ?
O1 Dy N8 90.32(10) . . ?
O2 Dy O1 117.49(10) . . ?
O2 Dy O3 81.99(9) . . ?
O2 Dy O4 68.24(9) . . ?
O2 Dy O10 149.20(10) . . ?
O2 Dy O11 72.94(11) . . ?
O2 Dy N7 75.59(9) . . ?
O2 Dy N8 127.36(10) . . ?
O3 Dy O4 63.65(9) . . ?
O3 Dy O10 75.88(9) . . ?
O3 Dy O11 78.63(11) . . ?
O3 Dy N7 144.43(9) . . ?
O3 Dy N8 104.18(10) . . ?
O4 Dy N7 82.36(9) . . ?
O10 Dy O4 118.22(9) . . ?
O10 Dy N7 133.61(10) . . ?
O10 Dy N8 79.40(11) . . ?
O11 Dy O4 128.37(10) . . ?
O11 Dy O10 81.81(11) . . ?
O11 Dy N7 119.25(11) . . ?
O11 Dy N8 159.60(10) . . ?
N8 Dy O4 68.63(9) . . ?
N8 Dy N7 70.14(10) . . ?
C1 O1 Dy 140.9(2) . . ?
C10 O2 Dy 139.8(2) . . ?
C33 O3 Dy 128.0(2) . . ?
N9 O4 Dy 119.8(2) . . ?
Dy O10 H10 108(3) . . ?
C39 O10 Dy 136.3(2) . . ?
C39 O10 H10 113(3) . . ?
Dy O11 H11 116(4) . . ?
C40 O11 Dy 134.6(3) . . ?
C40 O11 H11 108(4) . . ?
N2 N1 C15 103.4(3) . . ?
N1 N2 C2 124.4(3) . . ?
N3 N2 N1 115.7(3) . . ?
N3 N2 C2 119.7(3) . . ?
N2 N3 C20 103.3(3) . . ?
N5 N4 C23 102.8(3) . . ?
N4 N5 N6 117.0(3) . . ?
N4 N5 C11 122.3(3) . . ?
N6 N5 C11 120.5(3) . . ?
N5 N6 C28 102.4(3) . . ?
C7 N7 Dy 109.4(2) . . ?
C8 N7 Dy 110.7(2) . . ?
C8 N7 C7 107.6(3) . . ?
C29 N7 Dy 109.3(2) . . ?
C29 N7 C7 110.9(3) . . ?
C29 N7 C8 109.1(3) . . ?
C30 N8 Dy 107.1(2) . . ?
C31 N8 Dy 111.1(2) . . ?
C31 N8 C30 110.1(3) . . ?
C31 N8 C32 106.4(3) . . ?
C32 N8 Dy 113.4(2) . . ?
C32 N8 C30 108.8(3) . . ?
O4 N9 C34 120.4(3) . . ?
O5 N9 O4 120.7(4) . . ?
O5 N9 C34 118.9(3) . . ?
O6 N10 O7 124.4(4) . . ?
O6 N10 C36 117.8(4) . . ?
O7 N10 C36 117.8(4) . . ?
O8 N11 C38 117.6(3) . . ?
O9 N11 O8 123.4(4) . . ?
O9 N11 C38 119.0(4) . . ?
O1 C1 C2 123.6(4) . . ?
O1 C1 C6 120.2(3) . . ?
C2 C1 C6 116.3(3) . . ?
C1 C2 N2 121.1(3) . . ?
C3 C2 N2 117.3(3) . . ?
C3 C2 C1 121.6(4) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.8(4) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 C5 117.4(4) . . ?
C3 C4 C21 121.9(4) . . ?
C5 C4 C21 120.7(4) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 C4 122.0(4) . . ?
C6 C5 H5 119.0 . . ?
C1 C6 C7 118.6(3) . . ?
C5 C6 C1 120.9(3) . . ?
C5 C6 C7 120.5(4) . . ?
N7 C7 H7A 108.6 . . ?
N7 C7 H7B 108.6 . . ?
C6 C7 N7 114.5(3) . . ?
C6 C7 H7A 108.6 . . ?
C6 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
N7 C8 H8A 108.4 . . ?
N7 C8 H8B 108.4 . . ?
N7 C8 C9 115.5(3) . . ?
H8A C8 H8B 107.5 . . ?
C9 C8 H8A 108.4 . . ?
C9 C8 H8B 108.4 . . ?
C10 C9 C8 118.7(3) . . ?
C14 C9 C8 122.2(4) . . ?
C14 C9 C10 118.9(4) . . ?
O2 C10 C9 120.7(4) . . ?
O2 C10 C11 121.8(4) . . ?
C11 C10 C9 117.5(4) . . ?
C10 C11 N5 117.5(3) . . ?
C12 C11 N5 119.9(4) . . ?
C12 C11 C10 122.5(4) . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.3(4) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 C14 117.7(4) . . ?
C12 C13 C22 121.2(4) . . ?
C14 C13 C22 121.1(4) . . ?
C9 C14 H14 118.5 . . ?
C13 C14 C9 123.0(4) . . ?
C13 C14 H14 118.5 . . ?
N1 C15 C16 130.9(4) . . ?
N1 C15 C20 108.7(4) . . ?
C16 C15 C20 120.4(4) . . ?
C15 C16 H16 121.4 . . ?
C17 C16 C15 117.2(4) . . ?
C17 C16 H16 121.4 . . ?
C16 C17 H17 118.8 . . ?
C16 C17 C18 122.4(4) . . ?
C18 C17 H17 118.8 . . ?
C17 C18 H18 119.2 . . ?
C19 C18 C17 121.6(4) . . ?
C19 C18 H18 119.2 . . ?
C18 C19 H19 121.4 . . ?
C18 C19 C20 117.1(4) . . ?
C20 C19 H19 121.4 . . ?
N3 C20 C15 108.9(4) . . ?
N3 C20 C19 129.8(4) . . ?
C15 C20 C19 121.3(4) . . ?
C4 C21 H21A 109.5 . . ?
C4 C21 H21B 109.5 . . ?
C4 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C13 C22 H22A 109.5 . . ?
C13 C22 H22B 109.5 . . ?
C13 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C24 130.0(4) . . ?
N4 C23 C28 108.5(4) . . ?
C24 C23 C28 121.5(4) . . ?
C23 C24 H24 121.6 . . ?
C25 C24 C23 116.9(4) . . ?
C25 C24 H24 121.6 . . ?
C24 C25 H25 119.2 . . ?
C24 C25 C26 121.6(5) . . ?
C26 C25 H25 119.2 . . ?
C25 C26 H26 118.7 . . ?
C27 C26 C25 122.6(4) . . ?
C27 C26 H26 118.7 . . ?
C26 C27 H27 121.9 . . ?
C26 C27 C28 116.2(4) . . ?
C28 C27 H27 121.9 . . ?
N6 C28 C23 109.3(3) . . ?
N6 C28 C27 129.4(4) . . ?
C23 C28 C27 121.2(4) . . ?
N7 C29 H29A 108.9 . . ?
N7 C29 H29B 108.9 . . ?
N7 C29 C30 113.6(3) . . ?
H29A C29 H29B 107.7 . . ?
C30 C29 H29A 108.9 . . ?
C30 C29 H29B 108.9 . . ?
N8 C30 C29 112.0(3) . . ?
N8 C30 H30A 109.2 . . ?
N8 C30 H30B 109.2 . . ?
C29 C30 H30A 109.2 . . ?
C29 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
N8 C31 H31A 109.5 . . ?
N8 C31 H31B 109.5 . . ?
N8 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N8 C32 H32A 109.5 . . ?
N8 C32 H32B 109.5 . . ?
N8 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O3 C33 C34 124.2(4) . . ?
O3 C33 C38 123.6(4) . . ?
C34 C33 C38 112.2(3) . . ?
C33 C34 N9 120.6(3) . . ?
C35 C34 N9 115.1(4) . . ?
C35 C34 C33 124.3(4) . . ?
C34 C35 H35 120.6 . . ?
C34 C35 C36 118.8(4) . . ?
C36 C35 H35 120.6 . . ?
C35 C36 N10 118.3(4) . . ?
C37 C36 N10 120.4(4) . . ?
C37 C36 C35 121.3(4) . . ?
C36 C37 H37 120.3 . . ?
C36 C37 C38 119.3(4) . . ?
C38 C37 H37 120.3 . . ?
C33 C38 N11 120.2(3) . . ?
C37 C38 N11 115.8(4) . . ?
C37 C38 C33 124.1(4) . . ?
O10 C39 H39A 109.5 . . ?
O10 C39 H39B 109.5 . . ?
O10 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O11 C40 H40A 109.5 . . ?
O11 C40 H40B 109.5 . . ?
O11 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 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
Dy O1 C1 C2 138.2(4) . . . . ?
Dy O1 C1 C6 -41.2(6) . . . . ?
Dy O2 C10 C9 -41.8(6) . . . . ?
Dy O2 C10 C11 139.3(3) . . . . ?
Dy O3 C33 C34 -44.0(5) . . . . ?
Dy O3 C33 C38 138.1(3) . . . . ?
Dy O4 N9 O5 -126.9(3) . . . . ?
Dy O4 N9 C34 54.5(4) . . . . ?
Dy N7 C7 C6 -70.9(4) . . . . ?
Dy N7 C8 C9 -65.3(3) . . . . ?
Dy N7 C29 C30 -34.1(4) . . . . ?
Dy N8 C30 C29 -52.3(3) . . . . ?
O1 C1 C2 N2 3.2(6) . . . . ?
O1 C1 C2 C3 -176.8(4) . . . . ?
O1 C1 C6 C5 177.5(4) . . . . ?
O1 C1 C6 C7 -3.2(6) . . . . ?
O2 C10 C11 N5 3.7(5) . . . . ?
O2 C10 C11 C12 -179.2(3) . . . . ?
O3 C33 C34 N9 -1.9(6) . . . . ?
O3 C33 C34 C35 179.4(4) . . . . ?
O3 C33 C38 N11 -0.3(6) . . . . ?
O3 C33 C38 C37 179.3(4) . . . . ?
O4 N9 C34 C33 -8.8(5) . . . . ?
O4 N9 C34 C35 170.0(3) . . . . ?
O5 N9 C34 C33 172.6(3) . . . . ?
O5 N9 C34 C35 -8.6(5) . . . . ?
O6 N10 C36 C35 -0.7(6) . . . . ?
O6 N10 C36 C37 178.6(4) . . . . ?
O7 N10 C36 C35 179.8(4) . . . . ?
O7 N10 C36 C37 -0.9(6) . . . . ?
O8 N11 C38 C33 154.1(4) . . . . ?
O8 N11 C38 C37 -25.5(5) . . . . ?
O9 N11 C38 C33 -27.4(6) . . . . ?
O9 N11 C38 C37 153.1(4) . . . . ?
N1 N2 N3 C20 0.3(5) . . . . ?
N1 N2 C2 C1 -35.0(6) . . . . ?
N1 N2 C2 C3 145.0(4) . . . . ?
N1 C15 C16 C17 178.9(5) . . . . ?
N1 C15 C20 N3 -1.0(5) . . . . ?
N1 C15 C20 C19 -179.9(4) . . . . ?
N2 N1 C15 C16 -178.3(5) . . . . ?
N2 N1 C15 C20 1.1(5) . . . . ?
N2 N3 C20 C15 0.4(5) . . . . ?
N2 N3 C20 C19 179.2(5) . . . . ?
N2 C2 C3 C4 179.3(4) . . . . ?
N3 N2 C2 C1 150.7(4) . . . . ?
N3 N2 C2 C3 -29.3(6) . . . . ?
N4 N5 N6 C28 -0.2(4) . . . . ?
N4 N5 C11 C10 -55.2(5) . . . . ?
N4 N5 C11 C12 127.7(4) . . . . ?
N4 C23 C24 C25 178.9(4) . . . . ?
N4 C23 C28 N6 0.9(5) . . . . ?
N4 C23 C28 C27 -178.6(4) . . . . ?
N5 N4 C23 C24 -179.3(4) . . . . ?
N5 N4 C23 C28 -0.9(4) . . . . ?
N5 N6 C28 C23 -0.4(4) . . . . ?
N5 N6 C28 C27 179.0(4) . . . . ?
N5 C11 C12 C13 177.7(3) . . . . ?
N6 N5 C11 C10 119.5(4) . . . . ?
N6 N5 C11 C12 -57.6(5) . . . . ?
N7 C8 C9 C10 62.9(4) . . . . ?
N7 C8 C9 C14 -122.5(4) . . . . ?
N7 C29 C30 N8 61.6(4) . . . . ?
N9 C34 C35 C36 -177.1(3) . . . . ?
N10 C36 C37 C38 178.7(4) . . . . ?
C1 C2 C3 C4 -0.8(7) . . . . ?
C1 C6 C7 N7 61.8(5) . . . . ?
C2 N2 N3 C20 175.0(4) . . . . ?
C2 C1 C6 C5 -1.9(6) . . . . ?
C2 C1 C6 C7 177.4(4) . . . . ?
C2 C3 C4 C5 -1.8(6) . . . . ?
C2 C3 C4 C21 177.2(4) . . . . ?
C3 C4 C5 C6 2.5(6) . . . . ?
C4 C5 C6 C1 -0.6(6) . . . . ?
C4 C5 C6 C7 -179.9(4) . . . . ?
C5 C6 C7 N7 -118.9(4) . . . . ?
C6 C1 C2 N2 -177.4(4) . . . . ?
C6 C1 C2 C3 2.6(6) . . . . ?
C7 N7 C8 C9 54.1(4) . . . . ?
C7 N7 C29 C30 -154.7(3) . . . . ?
C8 N7 C7 C6 168.9(3) . . . . ?
C8 N7 C29 C30 87.0(4) . . . . ?
C8 C9 C10 O2 -7.3(5) . . . . ?
C8 C9 C10 C11 171.6(3) . . . . ?
C8 C9 C14 C13 -172.5(4) . . . . ?
C9 C10 C11 N5 -175.2(3) . . . . ?
C9 C10 C11 C12 1.8(6) . . . . ?
C10 C9 C14 C13 2.1(6) . . . . ?
C10 C11 C12 C13 0.7(6) . . . . ?
C11 N5 N6 C28 -175.1(4) . . . . ?
C11 C12 C13 C14 -1.9(6) . . . . ?
C11 C12 C13 C22 177.4(4) . . . . ?
C12 C13 C14 C9 0.5(6) . . . . ?
C14 C9 C10 O2 177.9(3) . . . . ?
C14 C9 C10 C11 -3.2(5) . . . . ?
C15 N1 N2 N3 -0.9(5) . . . . ?
C15 N1 N2 C2 -175.4(4) . . . . ?
C15 C16 C17 C18 0.7(7) . . . . ?
C16 C15 C20 N3 178.4(4) . . . . ?
C16 C15 C20 C19 -0.5(7) . . . . ?
C16 C17 C18 C19 -0.2(8) . . . . ?
C17 C18 C19 C20 -0.6(7) . . . . ?
C18 C19 C20 N3 -177.7(5) . . . . ?
C18 C19 C20 C15 1.0(7) . . . . ?
C20 C15 C16 C17 -0.3(7) . . . . ?
C21 C4 C5 C6 -176.5(4) . . . . ?
C22 C13 C14 C9 -178.8(4) . . . . ?
C23 N4 N5 N6 0.7(4) . . . . ?
C23 N4 N5 C11 175.6(3) . . . . ?
C23 C24 C25 C26 -0.7(7) . . . . ?
C24 C23 C28 N6 179.5(4) . . . . ?
C24 C23 C28 C27 0.0(6) . . . . ?
C24 C25 C26 C27 0.1(8) . . . . ?
C25 C26 C27 C28 0.5(7) . . . . ?
C26 C27 C28 N6 -179.9(5) . . . . ?
C26 C27 C28 C23 -0.6(7) . . . . ?
C28 C23 C24 C25 0.7(6) . . . . ?
C29 N7 C7 C6 49.7(4) . . . . ?
C29 N7 C8 C9 174.5(3) . . . . ?
C31 N8 C30 C29 68.5(4) . . . . ?
C32 N8 C30 C29 -175.3(3) . . . . ?
C33 C34 C35 C36 1.7(6) . . . . ?
C34 C33 C38 N11 -178.3(3) . . . . ?
C34 C33 C38 C37 1.2(5) . . . . ?
C34 C35 C36 N10 -179.9(4) . . . . ?
C34 C35 C36 C37 0.8(6) . . . . ?
C35 C36 C37 C38 -2.0(6) . . . . ?
C36 C37 C38 N11 -179.5(4) . . . . ?
C36 C37 C38 C33 1.0(6) . . . . ?
C38 C33 C34 N9 176.1(3) . . . . ?
C38 C33 C34 C35 -2.5(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_yt-cn-193
_database_code_depnum_ccdc_archive 'CCDC 2090898'
loop_
_audit_author_name
_audit_author_address
'Po-Heng Lin'
;National Chung Hsing University
Taiwan
;
_audit_update_record             
;
2021-10-06 deposited with the CCDC.	2021-10-07 downloaded from the CCDC.
;
_audit_creation_date             2021-10-06
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2017.02.24 svn.r3390 for Rigaku Oxford Diffraction, GUI svn.r5318)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H43 Dy N10 O9'
_chemical_formula_sum            'C40 H43 Dy N10 O9'
_chemical_formula_weight         970.34
_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.8504(4)
_cell_length_b                   9.1104(3)
_cell_length_c                   37.8203(11)
_cell_angle_alpha                90
_cell_angle_beta                 97.811(3)
_cell_angle_gamma                90
_cell_volume                     4045.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8894
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.66
_cell_measurement_theta_min      2.54
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.916
_exptl_absorpt_correction_T_max  0.537
_exptl_absorpt_correction_T_min  0.531
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0653 before and 0.0509 after correction.
The Ratio of minimum to maximum transmission is 0.8591.
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    1.593
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       cubic
_exptl_crystal_F_000             1964
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.33
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            19708
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.767
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6314
_reflns_number_total             7113
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.148
_refine_diff_density_min         -2.026
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     553
_refine_ls_number_reflns         7113
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0408
_refine_ls_restrained_S_all      1.188
_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)+(0.0117P)²+4.3586P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0650
_refine_ls_wR_factor_ref         0.0671
_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, All O(H) groups
2. Restrained distances
 O9-H9
 0.85 with sigma of 0.01
 O8-H8
 0.85 with sigma of 0.01
 C40-H9
 1.870332 with sigma of 0.02
 Dy1-H9
 2.874792 with sigma of 0.02
 C39-H8
 1.891227 with sigma of 0.02
 Dy1-H8
 2.791812 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C17(H17A,H17B), C18(H18A,H18B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C10(H10), C12(H12), C35(H35), C38(H38), C29(H29), C28(H28),
 C30(H30), C25(H25), C37(H37), C23(H23), C31(H31), C24(H24), C22(H22)
3.c Idealised Me refined as rotating group:
 C39(H39A,H39B,H39C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C16(H16A,H16B,
 H16C), C15(H15A,H15B,H15C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.56122(2) 0.27072(2) 0.62268(2) 0.01467(6) Uani 1 1 d D . . . .
O2 O 0.6145(2) 0.4197(3) 0.58189(7) 0.0168(7) Uani 1 1 d . . . . .
O1 O 0.3779(2) 0.2498(3) 0.62248(6) 0.0184(6) Uani 1 1 d . . . . .
O9 O 0.4898(3) 0.5004(3) 0.63950(9) 0.0253(8) Uani 1 1 d D . . . .
H9 H 0.4187(12) 0.502(2) 0.6412(12) 0.038 Uiso 1 1 d DR . . . .
O4 O 0.4957(3) 0.0079(4) 0.64846(9) 0.0318(8) Uani 1 1 d . . . . .
O8 O 0.7369(2) 0.3798(3) 0.64489(7) 0.0228(7) Uani 1 1 d D . . . .
H8 H 0.759(2) 0.438(4) 0.6298(6) 0.034 Uiso 1 1 d DR . . . .
O3 O 0.5771(2) 0.2423(4) 0.68364(7) 0.0263(7) Uani 1 1 d . . . . .
N7 N 0.8068(3) 0.5784(4) 0.56062(9) 0.0179(8) Uani 1 1 d . . . . .
N4 N 0.4884(3) 0.1459(4) 0.56133(8) 0.0143(8) Uani 1 1 d . . . . .
N6 N 0.8325(3) 0.5544(4) 0.59597(9) 0.0205(8) Uani 1 1 d . . . . .
N2 N 0.1833(3) 0.3808(4) 0.64055(9) 0.0181(8) Uani 1 1 d . . . . .
N9 N 0.4132(3) 0.0063(4) 0.66565(10) 0.0260(9) Uani 1 1 d . . . . .
N1 N 0.2618(3) 0.4819(4) 0.65194(9) 0.0190(8) Uani 1 1 d . . . . .
O5 O 0.3349(3) -0.0805(4) 0.65873(9) 0.0436(10) Uani 1 1 d . . . . .
N5 N 0.7001(3) 0.0647(4) 0.60981(9) 0.0216(9) Uani 1 1 d . . . . .
N8 N 0.8648(3) 0.6854(4) 0.54713(9) 0.0252(9) Uani 1 1 d . . . . .
C14 C 0.6367(4) 0.4166(4) 0.54867(10) 0.0155(9) Uani 1 1 d . . . . .
N3 N 0.1073(3) 0.3488(4) 0.66226(9) 0.0228(9) Uani 1 1 d . . . . .
C6 C 0.2782(4) 0.1547(4) 0.56863(10) 0.0148(9) Uani 1 1 d . . . . .
C7 C 0.3801(4) 0.0636(4) 0.56283(11) 0.0192(10) Uani 1 1 d . . . . .
H7A H 0.393316 -0.008051 0.581923 0.023 Uiso 1 1 calc R . . . .
H7B H 0.361733 0.009836 0.540651 0.023 Uiso 1 1 calc R . . . .
C3 C 0.0824(4) 0.2997(5) 0.58330(10) 0.0197(10) Uani 1 1 d . . . . .
H3 H 0.017071 0.346042 0.588844 0.024 Uiso 1 1 calc R . . . .
C5 C 0.1785(4) 0.1522(5) 0.54492(10) 0.0196(10) Uani 1 1 d . . . . .
H5 H 0.177660 0.100272 0.523716 0.024 Uiso 1 1 calc R . . . .
C2 C 0.1827(4) 0.3065(4) 0.60697(10) 0.0171(10) Uani 1 1 d . . . . .
C34 C 0.4110(4) 0.1091(5) 0.69481(11) 0.0204(10) Uani 1 1 d . . . . .
C9 C 0.5658(4) 0.3358(5) 0.52251(10) 0.0167(9) Uani 1 1 d . . . . .
C1 C 0.2834(3) 0.2391(5) 0.60036(10) 0.0168(9) Uani 1 1 d . . . . .
C8 C 0.4628(3) 0.2611(5) 0.53289(10) 0.0182(9) Uani 1 1 d . . . . .
H8A H 0.421210 0.215762 0.511836 0.022 Uiso 1 1 calc R . . . .
H8B H 0.413591 0.334713 0.541291 0.022 Uiso 1 1 calc R . . . .
C10 C 0.5897(4) 0.3297(5) 0.48757(10) 0.0195(10) Uani 1 1 d . . . . .
H10 H 0.540595 0.277471 0.470849 0.023 Uiso 1 1 calc R . . . .
C12 C 0.7524(4) 0.4805(5) 0.50173(11) 0.0193(10) Uani 1 1 d . . . . .
H12 H 0.814697 0.530340 0.495067 0.023 Uiso 1 1 calc R . . . .
C13 C 0.7301(4) 0.4899(4) 0.53696(10) 0.0170(9) Uani 1 1 d . . . . .
C17 C 0.5751(4) 0.0419(5) 0.55188(11) 0.0203(10) Uani 1 1 d . . . . .
H17A H 0.630362 0.095066 0.540105 0.024 Uiso 1 1 calc R . . . .
H17B H 0.538563 -0.029817 0.535142 0.024 Uiso 1 1 calc R . . . .
C11 C 0.6839(4) 0.3985(5) 0.47647(11) 0.0210(10) Uani 1 1 d . . . . .
C32 C 0.9142(4) 0.6553(5) 0.60596(11) 0.0201(10) Uani 1 1 d . . . . .
C33 C 0.4962(4) 0.2181(5) 0.70206(10) 0.0215(10) Uani 1 1 d . . . . .
C39 C 0.8170(4) 0.3775(6) 0.67624(12) 0.0416(15) Uani 1 1 d D . . . .
H39A H 0.887586 0.337324 0.670896 0.062 Uiso 1 1 calc GR . . . .
H39B H 0.788271 0.317972 0.693979 0.062 Uiso 1 1 calc GR . . . .
H39C H 0.829312 0.475709 0.685138 0.062 Uiso 1 1 calc GR . . . .
O7 O 0.2255(3) 0.2405(5) 0.79185(9) 0.0598(12) Uani 1 1 d . . . . .
C26 C 0.2347(4) 0.5196(5) 0.68426(11) 0.0216(10) Uani 1 1 d . . . . .
C4 C 0.0795(3) 0.2235(5) 0.55124(10) 0.0200(9) Uani 1 1 d . . . . .
C35 C 0.3213(4) 0.0947(5) 0.71475(12) 0.0267(11) Uani 1 1 d . . . . .
H35 H 0.265369 0.024016 0.708811 0.032 Uiso 1 1 calc R . . . .
C19 C 0.7480(4) -0.0179(5) 0.64221(12) 0.0330(12) Uani 1 1 d . . . . .
H19A H 0.788414 0.048239 0.659176 0.050 Uiso 1 1 calc GR . . . .
H19B H 0.799220 -0.091953 0.635835 0.050 Uiso 1 1 calc GR . . . .
H19C H 0.687206 -0.063602 0.652569 0.050 Uiso 1 1 calc GR . . . .
C20 C 0.7982(4) 0.1288(5) 0.59389(13) 0.0297(12) Uani 1 1 d . . . . .
H20A H 0.769942 0.191655 0.574308 0.045 Uiso 1 1 calc GR . . . .
H20B H 0.842337 0.051004 0.585464 0.045 Uiso 1 1 calc GR . . . .
H20C H 0.845329 0.184638 0.611689 0.045 Uiso 1 1 calc GR . . . .
C27 C 0.9346(4) 0.7355(5) 0.57584(11) 0.0227(10) Uani 1 1 d . . . . .
N10 N 0.2215(4) 0.1707(6) 0.76381(12) 0.0474(13) Uani 1 1 d . . . . .
O6 O 0.1424(3) 0.0913(6) 0.75163(11) 0.0639(14) Uani 1 1 d . . . . .
C18 C 0.6370(4) -0.0379(5) 0.58430(11) 0.0243(11) Uani 1 1 d . . . . .
H18A H 0.581952 -0.091360 0.596122 0.029 Uiso 1 1 calc R . . . .
H18B H 0.689628 -0.108534 0.576488 0.029 Uiso 1 1 calc R . . . .
C38 C 0.4853(4) 0.3085(5) 0.73247(11) 0.0278(11) Uani 1 1 d . . . . .
H38 H 0.539703 0.380741 0.738848 0.033 Uiso 1 1 calc R . . . .
C21 C 0.1393(4) 0.4374(5) 0.69055(11) 0.0246(11) Uani 1 1 d . . . . .
C16 C 0.7090(4) 0.3849(5) 0.43854(11) 0.0321(12) Uani 1 1 d . . . . .
H16A H 0.711522 0.283023 0.432211 0.048 Uiso 1 1 calc GR . . . .
H16B H 0.781100 0.429785 0.436520 0.048 Uiso 1 1 calc GR . . . .
H16C H 0.650232 0.433238 0.422759 0.048 Uiso 1 1 calc GR . . . .
C15 C -0.0265(4) 0.2204(6) 0.52415(11) 0.0297(11) Uani 1 1 d . . . . .
H15A H -0.087175 0.269941 0.533677 0.045 Uiso 1 1 calc GR . . . .
H15B H -0.048004 0.120429 0.518817 0.045 Uiso 1 1 calc GR . . . .
H15C H -0.011577 0.268903 0.502730 0.045 Uiso 1 1 calc GR . . . .
C36 C 0.3165(4) 0.1859(6) 0.74320(11) 0.0293(12) Uani 1 1 d . . . . .
C29 C 1.0744(4) 0.8763(5) 0.61114(13) 0.0307(12) Uani 1 1 d . . . . .
H29 H 1.129464 0.949621 0.613624 0.037 Uiso 1 1 calc R . . . .
C28 C 1.0167(4) 0.8491(5) 0.57846(12) 0.0288(11) Uani 1 1 d . . . . .
H28 H 1.030488 0.902682 0.558555 0.035 Uiso 1 1 calc R . . . .
C30 C 1.0533(4) 0.7963(5) 0.64185(13) 0.0321(12) Uani 1 1 d . . . . .
H30 H 1.094934 0.818898 0.663818 0.039 Uiso 1 1 calc R . . . .
C40 C 0.5353(5) 0.6409(6) 0.64404(17) 0.0537(17) Uani 1 1 d D . . . .
H40A H 0.599858 0.649259 0.631353 0.080 Uiso 1 1 calc GR . . . .
H40B H 0.558756 0.658788 0.668974 0.080 Uiso 1 1 calc GR . . . .
H40C H 0.478652 0.711652 0.634942 0.080 Uiso 1 1 calc GR . . . .
C25 C 0.2853(4) 0.6215(6) 0.70924(12) 0.0314(12) Uani 1 1 d . . . . .
H25 H 0.348162 0.676365 0.704891 0.038 Uiso 1 1 calc R . . . .
C37 C 0.3984(4) 0.2928(6) 0.75240(11) 0.0307(12) Uani 1 1 d . . . . .
H37 H 0.394118 0.353365 0.771982 0.037 Uiso 1 1 calc R . . . .
C23 C 0.1426(5) 0.5543(7) 0.74620(13) 0.0436(15) Uani 1 1 d . . . . .
H23 H 0.112637 0.568867 0.767424 0.052 Uiso 1 1 calc R . . . .
C31 C 0.9742(4) 0.6878(5) 0.64002(12) 0.0283(11) Uani 1 1 d . . . . .
H31 H 0.960031 0.636945 0.660283 0.034 Uiso 1 1 calc R . . . .
C24 C 0.2394(4) 0.6376(6) 0.74013(12) 0.0385(14) Uani 1 1 d . . . . .
H24 H 0.271599 0.703635 0.757356 0.046 Uiso 1 1 calc R . . . .
C22 C 0.0917(4) 0.4549(6) 0.72273(11) 0.0359(14) Uani 1 1 d . . . . .
H22 H 0.028861 0.400925 0.727428 0.043 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O2 2.210(3) . ?
Dy1 O1 2.180(3) . ?
Dy1 O9 2.376(3) . ?
Dy1 O4 2.737(3) . ?
Dy1 O8 2.356(3) . ?
Dy1 O3 2.302(2) . ?
Dy1 N4 2.623(3) . ?
Dy1 N5 2.585(4) . ?
O2 C14 1.318(4) . ?
O1 C1 1.308(4) . ?
O9 C40 1.390(6) . ?
O4 N9 1.246(5) . ?
O8 C39 1.414(5) . ?
O3 C33 1.278(5) . ?
N7 N6 1.348(4) . ?
N7 N8 1.334(5) . ?
N7 C13 1.434(5) . ?
N4 C7 1.494(5) . ?
N4 C8 1.504(5) . ?
N4 C17 1.476(5) . ?
N6 C32 1.351(5) . ?
N2 N1 1.338(5) . ?
N2 N3 1.331(5) . ?
N2 C2 1.438(5) . ?
N9 O5 1.220(5) . ?
N9 C34 1.449(6) . ?
N1 C26 1.349(5) . ?
N5 C19 1.484(5) . ?
N5 C20 1.499(5) . ?
N5 C18 1.473(6) . ?
N8 C27 1.352(5) . ?
C14 C9 1.415(6) . ?
C14 C13 1.415(6) . ?
N3 C21 1.353(6) . ?
C6 C7 1.506(6) . ?
C6 C5 1.383(6) . ?
C6 C1 1.419(5) . ?
C3 C2 1.389(6) . ?
C3 C4 1.393(6) . ?
C5 C4 1.390(6) . ?
C2 C1 1.394(6) . ?
C34 C33 1.416(6) . ?
C34 C35 1.390(6) . ?
C9 C8 1.495(6) . ?
C9 C10 1.390(5) . ?
C10 C11 1.394(6) . ?
C12 C13 1.395(5) . ?
C12 C11 1.386(6) . ?
C17 C18 1.525(6) . ?
C11 C16 1.509(5) . ?
C32 C27 1.402(6) . ?
C32 C31 1.416(6) . ?
C33 C38 1.435(6) . ?
O7 N10 1.232(6) . ?
C26 C21 1.403(6) . ?
C26 C25 1.400(6) . ?
C4 C15 1.509(5) . ?
C35 C36 1.367(6) . ?
C27 C28 1.415(6) . ?
N10 O6 1.224(6) . ?
N10 C36 1.460(6) . ?
C38 C37 1.364(6) . ?
C21 C22 1.418(6) . ?
C36 C37 1.386(7) . ?
C29 C28 1.351(6) . ?
C29 C30 1.422(6) . ?
C30 C31 1.358(6) . ?
C25 C24 1.362(6) . ?
C23 C24 1.420(7) . ?
C23 C22 1.351(7) . ?

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
O2 Dy1 O9 78.00(10) . . ?
O2 Dy1 O4 155.17(10) . . ?
O2 Dy1 O8 70.57(10) . . ?
O2 Dy1 O3 140.88(11) . . ?
O2 Dy1 N4 74.92(10) . . ?
O2 Dy1 N5 93.71(11) . . ?
O1 Dy1 O2 115.50(10) . . ?
O1 Dy1 O9 71.75(11) . . ?
O1 Dy1 O4 66.05(10) . . ?
O1 Dy1 O8 150.47(10) . . ?
O1 Dy1 O3 86.51(9) . . ?
O1 Dy1 N4 75.58(10) . . ?
O1 Dy1 N5 126.55(11) . . ?
O9 Dy1 O4 123.12(9) . . ?
O9 Dy1 N4 122.17(11) . . ?
O9 Dy1 N5 161.55(12) . . ?
O8 Dy1 O9 82.13(11) . . ?
O8 Dy1 O4 121.43(10) . . ?
O8 Dy1 N4 131.82(10) . . ?
O8 Dy1 N5 79.56(12) . . ?
O3 Dy1 O9 79.30(12) . . ?
O3 Dy1 O4 62.18(11) . . ?
O3 Dy1 O8 75.09(10) . . ?
O3 Dy1 N4 144.05(11) . . ?
O3 Dy1 N5 98.02(11) . . ?
N4 Dy1 O4 81.99(10) . . ?
N5 Dy1 O4 69.55(11) . . ?
N5 Dy1 N4 70.12(11) . . ?
C14 O2 Dy1 139.9(3) . . ?
C1 O1 Dy1 140.9(2) . . ?
C40 O9 Dy1 134.2(3) . . ?
N9 O4 Dy1 118.5(3) . . ?
C39 O8 Dy1 138.8(3) . . ?
C33 O3 Dy1 126.9(2) . . ?
N6 N7 C13 124.5(3) . . ?
N8 N7 N6 116.0(3) . . ?
N8 N7 C13 119.2(3) . . ?
C7 N4 Dy1 111.4(2) . . ?
C7 N4 C8 106.7(3) . . ?
C8 N4 Dy1 109.9(2) . . ?
C17 N4 Dy1 109.6(2) . . ?
C17 N4 C7 108.5(3) . . ?
C17 N4 C8 110.7(3) . . ?
N7 N6 C32 102.9(3) . . ?
N1 N2 C2 121.9(3) . . ?
N3 N2 N1 116.8(3) . . ?
N3 N2 C2 121.3(3) . . ?
O4 N9 C34 119.1(4) . . ?
O5 N9 O4 121.6(4) . . ?
O5 N9 C34 119.3(4) . . ?
N2 N1 C26 103.1(3) . . ?
C19 N5 Dy1 113.3(3) . . ?
C19 N5 C20 107.4(4) . . ?
C20 N5 Dy1 110.0(3) . . ?
C18 N5 Dy1 107.7(3) . . ?
C18 N5 C19 108.8(4) . . ?
C18 N5 C20 109.7(3) . . ?
N7 N8 C27 103.3(3) . . ?
O2 C14 C9 120.1(4) . . ?
O2 C14 C13 123.7(4) . . ?
C13 C14 C9 116.3(3) . . ?
N2 N3 C21 102.5(4) . . ?
C5 C6 C7 121.9(4) . . ?
C5 C6 C1 119.5(4) . . ?
C1 C6 C7 118.6(4) . . ?
N4 C7 C6 116.0(3) . . ?
C2 C3 C4 120.0(4) . . ?
C6 C5 C4 123.2(4) . . ?
C3 C2 N2 119.4(4) . . ?
C3 C2 C1 122.9(4) . . ?
C1 C2 N2 117.7(4) . . ?
C33 C34 N9 120.9(4) . . ?
C35 C34 N9 116.5(4) . . ?
C35 C34 C33 122.5(4) . . ?
C14 C9 C8 118.8(3) . . ?
C10 C9 C14 120.5(4) . . ?
C10 C9 C8 120.7(4) . . ?
O1 C1 C6 121.1(4) . . ?
O1 C1 C2 122.1(3) . . ?
C2 C1 C6 116.8(4) . . ?
C9 C8 N4 114.4(3) . . ?
C9 C10 C11 122.9(4) . . ?
C11 C12 C13 121.5(4) . . ?
C14 C13 N7 121.8(3) . . ?
C12 C13 N7 116.4(4) . . ?
C12 C13 C14 121.8(4) . . ?
N4 C17 C18 112.7(3) . . ?
C10 C11 C16 121.3(4) . . ?
C12 C11 C10 116.9(4) . . ?
C12 C11 C16 121.8(4) . . ?
N6 C32 C27 108.9(4) . . ?
N6 C32 C31 130.5(4) . . ?
C27 C32 C31 120.6(4) . . ?
O3 C33 C34 125.7(4) . . ?
O3 C33 C38 119.6(4) . . ?
C34 C33 C38 114.7(4) . . ?
N1 C26 C21 108.3(4) . . ?
N1 C26 C25 130.4(4) . . ?
C25 C26 C21 121.4(4) . . ?
C3 C4 C15 121.3(4) . . ?
C5 C4 C3 117.4(4) . . ?
C5 C4 C15 121.2(4) . . ?
C36 C35 C34 119.2(5) . . ?
N8 C27 C32 108.8(4) . . ?
N8 C27 C28 130.0(4) . . ?
C32 C27 C28 121.2(4) . . ?
O7 N10 C36 117.9(5) . . ?
O6 N10 O7 124.6(5) . . ?
O6 N10 C36 117.5(5) . . ?
N5 C18 C17 111.7(4) . . ?
C37 C38 C33 122.7(4) . . ?
N3 C21 C26 109.3(4) . . ?
N3 C21 C22 130.1(5) . . ?
C26 C21 C22 120.6(4) . . ?
C35 C36 N10 118.7(5) . . ?
C35 C36 C37 121.5(4) . . ?
C37 C36 N10 119.8(4) . . ?
C28 C29 C30 122.0(5) . . ?
C29 C28 C27 117.1(4) . . ?
C31 C30 C29 121.9(4) . . ?
C24 C25 C26 117.8(5) . . ?
C38 C37 C36 119.4(4) . . ?
C22 C23 C24 123.3(4) . . ?
C30 C31 C32 117.2(4) . . ?
C25 C24 C23 120.5(5) . . ?
C23 C22 C21 116.5(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
