# Supplementary Information (SI) for Environmental Science: Water Research & Technology.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_y_a
_database_code_depnum_ccdc_archive 'CCDC 2421525'
loop_
_audit_author_name
_audit_author_address
y
;Nanjing University
China
;
_audit_update_record             
;
2025-02-05 deposited with the CCDC.	2025-04-21 downloaded from the CCDC.
;
_audit_creation_date             2024-05-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_chemical_formula_moiety         'C50 H52 Dy N5 O11 P2 Se2'
_chemical_formula_sum            'C50 H52 Dy N5 O11 P2 Se2'
_chemical_formula_weight         1283.376
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Dy -0.09334 4.42895 26.50700 17.63830 14.55960 2.96577 2.18020 0.20217 12.18990
111.87400 4.29728 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
P 0.10434 0.09671 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11490 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Se -0.08110 2.30834 17.00060 5.81960 3.97310 4.35430 2.40980 0.27260 15.23720
43.81630 2.84090 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_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_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   9.6729(5)
_cell_length_b                   11.1667(6)
_cell_length_c                   25.6156(16)
_cell_angle_alpha                90.315(2)
_cell_angle_beta                 92.411(2)
_cell_angle_gamma                112.001(2)
_cell_volume                     2562.4(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      26.91
_cell_measurement_theta_min      3.01
_exptl_absorpt_coefficient_mu    3.005
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5816
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1035 before and 0.0564 after correction.
The Ratio of minimum to maximum transmission is 0.7800.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_description       block
_exptl_crystal_F_000             1283.183
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_unetI/netI     0.0569
_diffrn_reflns_Laue_measured_fraction_full 0.9826
_diffrn_reflns_Laue_measured_fraction_max 0.9805
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            23635
_diffrn_reflns_point_group_measured_fraction_full 0.9826
_diffrn_reflns_point_group_measured_fraction_max 0.9805
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.97
_diffrn_ambient_temperature      193.00
_diffrn_measured_fraction_theta_full 0.9826
_diffrn_measured_fraction_theta_max 0.9805
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              14
_reflns_limit_k_min              -14
_reflns_limit_l_max              33
_reflns_limit_l_min              0
_reflns_number_gt                10516
_reflns_number_total             11583
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.1970
_refine_diff_density_min         -1.1211
_refine_diff_density_rms         0.1288
_refine_ls_d_res_high            0.7692
_refine_ls_d_res_low             10.3508
_refine_ls_goodness_of_fit_ref   1.0398
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    90
_refine_ls_number_parameters     644
_refine_ls_number_reflns         11583
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0363
_refine_ls_restrained_S_all      1.0398
_refine_ls_shift/su_max          -0.0008
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0380P)²+3.7551P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0943
_refine_ls_wR_factor_ref         0.0974
_olex2_refinement_description    
;
1.a Secondary CH2 refined with riding coordinates:
 C20(H20a,H20b), C1(H1a,H1b), C37(H37a,H37b), C18(H18a,H18b), C35(H35a,H35b),
 C16(H16a,H16b)
1.b Aromatic/amide H refined with riding coordinates:
 N3(H3), N4(H4), C42(H42), C4(H4a), C33(H33), C49(H49), C32(H32), C47(H47),
 C14(H14), C50(H50), C26(H26), C11(H11), C23(H23), C44(H44), C48(H48), C28(H28),
  C43(H43), C12(H12), C45(H45), C30(H30), C9(H9), C13(H13), C7(H7), C25(H25),
 C31(H31), C5(H5), C6(H6), C24(H24)
1.c Idealised Me refined as rotating group:
 C38(H38a,H38b,H38c), C36(H36a,H36b,H36c), C19(H19a,H19b,H19c), C17(H17a,H17b,
 H17c)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
Dy1 Dy 0.395560(16) 0.292775(13) 0.750921(6) 0.02205(6) Uani 1.000000 .
Se1 Se 0.00884(4) -0.12245(4) 0.839919(15) 0.03365(9) Uani 1.000000 .
Se2 Se 0.01341(5) -0.13930(4) 0.662426(17) 0.03999(10) Uani 1.000000 .
P2 P 0.52941(10) 0.34300(9) 0.61484(4) 0.02904(18) Uani 1.000000 .
P1 P 0.48171(10) 0.35354(9) 0.89243(4) 0.02913(18) Uani 1.000000 .
O9 O 0.6613(3) 0.4515(2) 0.75825(11) 0.0317(5) Uani 1.000000 .
O10 O 0.4994(3) 0.5395(2) 0.74480(10) 0.0298(5) Uani 1.000000 .
O1 O 0.4474(3) 0.3717(2) 0.83676(10) 0.0322(5) Uani 1.000000 .
O6 O 0.6989(3) 0.4336(3) 0.61177(11) 0.0390(6) Uani 1.000000 .
O4 O 0.4856(3) 0.3481(3) 0.66848(11) 0.0418(7) Uani 1.000000 .
O8 O 0.1988(3) 0.3500(3) 0.73679(12) 0.0389(6) Uani 1.000000 .
O7 O 0.5342(3) 0.1750(3) 0.76591(13) 0.0424(7) Uani 1.000000 .
O2 O 0.3736(4) 0.3801(3) 0.93036(12) 0.0450(7) Uani 1.000000 .
O3 O 0.6382(4) 0.4489(3) 0.91298(13) 0.0554(9) Uani 1.000000 .
N5 N 0.6340(3) 0.5513(3) 0.74928(13) 0.0296(6) Uani 1.000000 .
O11 O 0.7361(3) 0.6564(3) 0.74515(15) 0.0514(9) Uani 1.000000 .
O5 O 0.4402(3) 0.3912(3) 0.57334(12) 0.0423(6) Uani 1.000000 .
N3 N 0.0374(4) 0.6309(3) 0.75901(15) 0.0419(8) Uani 1.000000 .
H3 H 0.0022(4) 0.6921(3) 0.76381(15) 0.0503(10) Uiso 1.000000 R
C20 C 0.5012(4) 0.1824(3) 0.59283(13) 0.0273(7) Uani 1.000000 .
H20a H 0.5286(4) 0.1372(3) 0.62223(13) 0.0328(8) Uiso 1.000000 R
H20b H 0.3934(4) 0.1360(3) 0.58406(13) 0.0328(8) Uiso 1.000000 R
C40 C 0.1581(4) 0.0120(3) 0.68012(13) 0.0286(7) Uani 1.000000 .
C3 C 0.5062(4) 0.1685(3) 1.00491(14) 0.0284(7) Uani 1.000000 .
C34 C 0.7305(4) 0.1679(3) 0.55411(15) 0.0299(7) Uani 1.000000 .
C41 C 0.5846(4) 0.0865(4) 0.75840(14) 0.0324(8) Uani 1.000000 .
N4 N 0.6910(7) -0.1078(5) 0.74664(15) 0.0698(16) Uani 1.000000 .
H4 H 0.7252(7) -0.1703(5) 0.74415(15) 0.0838(19) Uiso 1.000000 R
C21 C 0.5873(4) 0.1720(3) 0.54602(13) 0.0276(7) Uani 1.000000 .
N1 N 0.2169(4) 0.1258(4) 0.80357(14) 0.0434(8) Uani 1.000000 .
C46 C 0.1486(4) 0.4388(3) 0.74421(14) 0.0286(7) Uani 1.000000 .
C39 C 0.1371(4) 0.0290(3) 0.81800(13) 0.0276(7) Uani 1.000000 .
C15 C 0.7035(4) 0.1768(3) 0.94607(14) 0.0300(7) Uani 1.000000 .
C42 C 0.4888(6) -0.0454(4) 0.75381(16) 0.0418(9) Uani 1.000000 .
H42 H 0.3838(6) -0.0687(4) 0.75455(16) 0.0501(11) Uiso 1.000000 R
N2 N 0.2497(4) 0.1095(3) 0.69212(15) 0.0436(8) Uani 1.000000 .
C4 C 0.3641(4) 0.1725(4) 1.01620(15) 0.0331(8) Uani 1.000000 .
H4a H 0.3024(4) 0.1840(4) 0.98842(15) 0.0398(9) Uiso 1.000000 R
C2 C 0.5606(4) 0.1802(3) 0.95422(13) 0.0264(6) Uani 1.000000 .
C22 C 0.5235(4) 0.1668(3) 0.49521(13) 0.0282(7) Uani 1.000000 .
C33 C 0.8017(4) 0.1732(4) 0.60463(16) 0.0359(8) Uani 1.000000 .
H33 H 0.7527(4) 0.1836(4) 0.63470(16) 0.0430(10) Uiso 1.000000 R
C1 C 0.4650(4) 0.1920(3) 0.90745(13) 0.0281(7) Uani 1.000000 .
H1a H 0.4916(4) 0.1534(3) 0.87643(13) 0.0338(8) Uiso 1.000000 R
H1b H 0.3592(4) 0.1404(3) 0.91389(13) 0.0338(8) Uiso 1.000000 R
C49 C -0.0201(4) 0.5449(4) 0.71932(17) 0.0379(9) Uani 1.000000 .
H49 H -0.0982(4) 0.5506(4) 0.69693(17) 0.0455(10) Uiso 1.000000 R
C32 C 0.9370(5) 0.1637(4) 0.61082(19) 0.0435(9) Uani 1.000000 .
H32 H 0.9809(5) 0.1667(4) 0.64491(19) 0.0522(11) Uiso 1.000000 R
C47 C 0.2040(5) 0.5315(4) 0.78511(17) 0.0409(9) Uani 1.000000 .
H47 H 0.2814(5) 0.5290(4) 0.80861(17) 0.0491(11) Uiso 1.000000 R
C27 C 0.6065(4) 0.1554(3) 0.45111(14) 0.0334(8) Uani 1.000000 .
C14 C 0.7675(4) 0.1896(4) 0.89632(17) 0.0392(9) Uani 1.000000 .
H14 H 0.7148(4) 0.2055(4) 0.86673(17) 0.0471(10) Uiso 1.000000 R
C50 C 0.0328(4) 0.4498(4) 0.71109(16) 0.0329(8) Uani 1.000000 .
H50 H -0.0082(4) 0.3899(4) 0.68278(16) 0.0395(9) Uiso 1.000000 R
C26 C 0.5398(5) 0.1488(4) 0.39942(16) 0.0449(10) Uani 1.000000 .
H26 H 0.5944(5) 0.1437(4) 0.37007(16) 0.0539(12) Uiso 1.000000 R
C11 C 0.9301(5) 0.1475(4) 0.9813(2) 0.0447(10) Uani 1.000000 .
H11 H 0.9873(5) 0.1340(4) 1.0101(2) 0.0537(12) Uiso 1.000000 R
C23 C 0.3778(4) 0.1687(4) 0.48422(15) 0.0347(8) Uani 1.000000 .
H23 H 0.3205(4) 0.1763(4) 0.51236(15) 0.0416(9) Uiso 1.000000 R
C8 C 0.5952(4) 0.1520(3) 1.04856(15) 0.0336(8) Uani 1.000000 .
C10 C 0.7893(4) 0.1575(3) 0.99021(16) 0.0340(8) Uani 1.000000 .
C44 C 0.7387(5) 0.1147(5) 0.75449(16) 0.0416(9) Uani 1.000000 .
H44 H 0.8079(5) 0.2017(5) 0.75596(16) 0.0499(11) Uiso 1.000000 R
C48 C 0.1461(5) 0.6256(4) 0.79107(18) 0.0432(10) Uani 1.000000 .
H48 H 0.1847(5) 0.6881(4) 0.81866(18) 0.0519(11) Uiso 1.000000 R
C28 C 0.7470(5) 0.1506(4) 0.45948(16) 0.0381(9) Uani 1.000000 .
H28 H 0.8012(5) 0.1438(4) 0.43029(16) 0.0457(11) Uiso 1.000000 R
C29 C 0.8097(4) 0.1555(3) 0.50920(16) 0.0340(8) Uani 1.000000 .
C43 C 0.5453(8) -0.1380(5) 0.74841(18) 0.0610(15) Uani 1.000000 .
H43 H 0.4797(8) -0.2261(5) 0.74585(18) 0.0732(18) Uiso 1.000000 R
C12 C 0.9825(5) 0.1569(4) 0.9335(2) 0.0512(12) Uani 1.000000 .
H12 H 1.0752(5) 0.1484(4) 0.9286(2) 0.0614(14) Uiso 1.000000 R
C45 C 0.7874(7) 0.0143(7) 0.74851(17) 0.0616(16) Uani 1.000000 .
H45 H 0.8909(7) 0.0325(7) 0.74569(17) 0.0739(19) Uiso 1.000000 R
C30 C 0.9528(5) 0.1463(4) 0.51787(19) 0.0444(10) Uani 1.000000 .
H30 H 1.0063(5) 0.1379(4) 0.48871(19) 0.0533(12) Uiso 1.000000 R
C37 C 0.7607(5) 0.4959(5) 0.5629(2) 0.0557(13) Uani 1.000000 .
H37a H 0.7320(5) 0.5711(5) 0.5566(2) 0.0668(15) Uiso 1.000000 R
H37b H 0.7210(5) 0.4341(5) 0.5330(2) 0.0668(15) Uiso 1.000000 R
C9 C 0.7349(5) 0.1466(4) 1.03980(16) 0.0378(8) Uani 1.000000 .
H9 H 0.7935(5) 0.1351(4) 1.06859(16) 0.0454(10) Uiso 1.000000 R
C13 C 0.9008(5) 0.1796(4) 0.8900(2) 0.0467(10) Uani 1.000000 .
H13 H 0.9400(5) 0.1879(4) 0.8562(2) 0.0561(12) Uiso 1.000000 R
C7 C 0.5405(5) 0.1403(4) 1.09974(16) 0.0420(9) Uani 1.000000 .
H7 H 0.5997(5) 0.1293(4) 1.12847(16) 0.0504(11) Uiso 1.000000 R
C25 C 0.4030(6) 0.1497(4) 0.39176(16) 0.0489(11) Uani 1.000000 .
H25 H 0.3607(6) 0.1434(4) 0.35722(16) 0.0587(13) Uiso 1.000000 R
C31 C 1.0132(5) 0.1494(4) 0.5665(2) 0.0494(11) Uani 1.000000 .
H31 H 1.1075(5) 0.1419(4) 0.5712(2) 0.0593(13) Uiso 1.000000 R
C5 C 0.3156(5) 0.1602(4) 1.06548(16) 0.0411(9) Uani 1.000000 .
H5 H 0.2201(5) 0.1620(4) 1.07150(16) 0.0493(11) Uiso 1.000000 R
C6 C 0.4047(6) 0.1448(4) 1.10804(17) 0.0490(11) Uani 1.000000 .
H6 H 0.3697(6) 0.1376(4) 1.14244(17) 0.0588(13) Uiso 1.000000 R
C24 C 0.3202(5) 0.1599(4) 0.43476(17) 0.0424(9) Uani 1.000000 .
H24 H 0.2229(5) 0.1606(4) 0.42871(17) 0.0509(11) Uiso 1.000000 R
C38 C 0.9225(6) 0.5378(6) 0.5678(2) 0.0670(15) Uani 1.000000 .
H38a H 0.9656(6) 0.579(4) 0.5355(7) 0.101(2) Uiso 1.000000 GR
H38b H 0.9609(7) 0.600(3) 0.5972(11) 0.101(2) Uiso 1.000000 GR
H38c H 0.9499(6) 0.4628(8) 0.5739(17) 0.101(2) Uiso 1.000000 GR
C18 C 0.7582(5) 0.5259(6) 0.8825(2) 0.0646(16) Uani 1.000000 .
H18a H 0.7620(5) 0.4761(6) 0.8508(2) 0.0776(19) Uiso 1.000000 R
H18b H 0.7407(5) 0.6038(6) 0.8711(2) 0.0776(19) Uiso 1.000000 R
C36 C 0.2666(7) 0.4896(6) 0.5954(3) 0.079(2) Uani 1.000000 .
H36a H 0.1988(8) 0.443(4) 0.5662(9) 0.118(3) Uiso 1.000000 GR
H36b H 0.242(2) 0.438(4) 0.6269(12) 0.118(3) Uiso 1.000000 GR
H36c H 0.2557(16) 0.5722(6) 0.602(2) 0.118(3) Uiso 1.000000 GR
C35 C 0.4203(6) 0.5136(4) 0.5827(2) 0.0551(12) Uani 1.000000 .
H35a H 0.4890(6) 0.5622(4) 0.6119(2) 0.0661(15) Uiso 1.000000 R
H35b H 0.4453(6) 0.5667(4) 0.5511(2) 0.0661(15) Uiso 1.000000 R
C16 C 0.3679(7) 0.5081(5) 0.9363(2) 0.0615(14) Uani 1.000000 .
H16a H 0.4371(7) 0.5557(5) 0.9656(2) 0.0738(17) Uiso 1.000000 R
H16b H 0.4005(7) 0.5570(5) 0.9041(2) 0.0738(17) Uiso 1.000000 R
C19 C 0.8986(6) 0.5643(7) 0.9118(3) 0.086(2) Uani 1.000000 .
H19a H 0.9803(7) 0.604(5) 0.8885(5) 0.128(3) Uiso 1.000000 GR
H19b H 0.902(2) 0.626(4) 0.9395(13) 0.128(3) Uiso 1.000000 GR
H19c H 0.909(3) 0.4882(10) 0.9275(18) 0.128(3) Uiso 1.000000 GR
C17 C 0.2232(7) 0.4987(6) 0.9462(4) 0.101(3) Uani 1.000000 .
H17a H 0.1560(15) 0.457(6) 0.9161(10) 0.151(4) Uiso 1.000000 GR
H17b H 0.189(3) 0.447(5) 0.9773(15) 0.151(4) Uiso 1.000000 GR
H17c H 0.2229(15) 0.5854(7) 0.952(3) 0.151(4) Uiso 1.000000 GR


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 O9 2.515(3) . ?
Dy1 O10 2.563(2) . ?
Dy1 O1 2.328(3) . ?
Dy1 O4 2.317(3) . ?
Dy1 O8 2.240(2) . ?
Dy1 O7 2.228(2) . ?
Dy1 N5 2.945(3) . ?
Dy1 N1 2.468(3) . ?
Dy1 N2 2.464(4) . ?
Se1 C39 1.792(3) . ?
Se2 C40 1.784(4) . ?
P2 O6 1.577(3) . ?
P2 O4 1.462(3) . ?
P2 O5 1.563(3) . ?
P2 C20 1.793(4) . ?
P1 O1 1.483(3) . ?
P1 O2 1.562(3) . ?
P1 O3 1.556(3) . ?
P1 C1 1.795(3) . ?
O9 N5 1.258(4) . ?
O10 N5 1.259(4) . ?
O6 C37 1.473(5) . ?
O8 C46 1.274(4) . ?
O7 C41 1.271(4) . ?
O2 C16 1.458(5) . ?
O3 C18 1.426(5) . ?
N5 O11 1.227(4) . ?
O5 C35 1.469(5) . ?
N3 H3 0.8800 . ?
N3 C49 1.344(6) . ?
N3 C48 1.326(6) . ?
C20 H20a 0.9900 . ?
C20 H20b 0.9900 . ?
C20 C21 1.516(4) . ?
C40 N2 1.147(5) . ?
C3 C4 1.433(5) . ?
C3 C2 1.410(5) . ?
C3 C8 1.437(5) . ?
C34 C21 1.410(5) . ?
C34 C33 1.431(5) . ?
C34 C29 1.443(5) . ?
C41 C42 1.417(6) . ?
C41 C44 1.411(5) . ?
N4 H4 0.8800 . ?
N4 C43 1.324(8) . ?
N4 C45 1.332(8) . ?
C21 C22 1.408(5) . ?
N1 C39 1.142(5) . ?
C46 C47 1.408(6) . ?
C46 C50 1.418(5) . ?
C15 C2 1.421(5) . ?
C15 C14 1.425(5) . ?
C15 C10 1.439(5) . ?
C42 H42 0.9500 . ?
C42 C43 1.348(6) . ?
C4 H4a 0.9500 . ?
C4 C5 1.355(5) . ?
C2 C1 1.519(5) . ?
C22 C27 1.446(5) . ?
C22 C23 1.433(5) . ?
C33 H33 0.9500 . ?
C33 C32 1.354(6) . ?
C1 H1a 0.9900 . ?
C1 H1b 0.9900 . ?
C49 H49 0.9500 . ?
C49 C50 1.360(5) . ?
C32 H32 0.9500 . ?
C32 C31 1.419(6) . ?
C47 H47 0.9500 . ?
C47 C48 1.374(6) . ?
C27 C26 1.438(6) . ?
C27 C28 1.387(6) . ?
C14 H14 0.9500 . ?
C14 C13 1.352(6) . ?
C50 H50 0.9500 . ?
C26 H26 0.9500 . ?
C26 C25 1.334(7) . ?
C11 H11 0.9500 . ?
C11 C10 1.435(5) . ?
C11 C12 1.336(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.350(6) . ?
C8 C9 1.402(6) . ?
C8 C7 1.423(6) . ?
C10 C9 1.384(6) . ?
C44 H44 0.9500 . ?
C44 C45 1.380(6) . ?
C48 H48 0.9500 . ?
C28 H28 0.9500 . ?
C28 C29 1.379(6) . ?
C29 C30 1.434(6) . ?
C43 H43 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.418(7) . ?
C45 H45 0.9500 . ?
C30 H30 0.9500 . ?
C30 C31 1.348(7) . ?
C37 H37a 0.9900 . ?
C37 H37b 0.9900 . ?
C37 C38 1.455(7) . ?
C9 H9 0.9500 . ?
C13 H13 0.9500 . ?
C7 H7 0.9500 . ?
C7 C6 1.359(7) . ?
C25 H25 0.9500 . ?
C25 C24 1.417(6) . ?
C31 H31 0.9500 . ?
C5 H5 0.9500 . ?
C5 C6 1.413(7) . ?
C6 H6 0.9500 . ?
C24 H24 0.9500 . ?
C38 H38a 0.9800 . ?
C38 H38b 0.9800 . ?
C38 H38c 0.9800 . ?
C18 H18a 0.9900 . ?
C18 H18b 0.9900 . ?
C18 C19 1.438(7) . ?
C36 H36a 0.9800 . ?
C36 H36b 0.9800 . ?
C36 H36c 0.9800 . ?
C36 C35 1.459(7) . ?
C35 H35a 0.9900 . ?
C35 H35b 0.9900 . ?
C16 H16a 0.9900 . ?
C16 H16b 0.9900 . ?
C16 C17 1.398(8) . ?
C19 H19a 0.9800 . ?
C19 H19b 0.9800 . ?
C19 H19c 0.9800 . ?
C17 H17a 0.9800 . ?
C17 H17b 0.9800 . ?
C17 H17c 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O10 Dy1 O9 50.23(7) . . ?
O1 Dy1 O9 71.90(9) . . ?
O1 Dy1 O10 74.29(8) . . ?
O4 Dy1 O9 69.87(10) . . ?
O4 Dy1 O10 71.29(9) . . ?
O4 Dy1 O1 139.48(10) . . ?
O8 Dy1 O9 123.66(9) . . ?
O8 Dy1 O10 73.43(9) . . ?
O8 Dy1 O1 95.52(10) . . ?
O8 Dy1 O4 94.58(11) . . ?
O7 Dy1 O9 74.36(9) . . ?
O7 Dy1 O10 124.59(9) . . ?
O7 Dy1 O1 89.51(10) . . ?
O7 Dy1 O4 92.75(11) . . ?
O7 Dy1 O8 161.96(11) . . ?
N5 Dy1 O9 25.08(7) . . ?
N5 Dy1 O10 25.22(7) . . ?
N5 Dy1 O1 72.54(9) . . ?
N5 Dy1 O4 67.19(9) . . ?
N5 Dy1 O8 98.61(9) . . ?
N5 Dy1 O7 99.42(9) . . ?
N1 Dy1 O9 139.13(11) . . ?
N1 Dy1 O10 137.85(11) . . ?
N1 Dy1 O1 74.62(11) . . ?
N1 Dy1 O4 145.75(12) . . ?
N1 Dy1 O8 82.02(11) . . ?
N1 Dy1 O7 82.65(12) . . ?
N1 Dy1 N5 147.06(11) . . ?
N2 Dy1 O9 135.74(10) . . ?
N2 Dy1 O10 135.68(11) . . ?
N2 Dy1 O1 146.42(11) . . ?
N2 Dy1 O4 73.79(11) . . ?
N2 Dy1 O8 83.13(12) . . ?
N2 Dy1 O7 83.13(12) . . ?
N2 Dy1 N5 140.96(10) . . ?
N2 Dy1 N1 71.96(13) . . ?
O4 P2 O6 108.29(17) . . ?
O5 P2 O6 106.84(16) . . ?
O5 P2 O4 114.12(18) . . ?
C20 P2 O6 110.08(16) . . ?
C20 P2 O4 112.91(16) . . ?
C20 P2 O5 104.40(17) . . ?
O2 P1 O1 113.14(16) . . ?
O3 P1 O1 113.32(17) . . ?
O3 P1 O2 103.1(2) . . ?
C1 P1 O1 114.21(16) . . ?
C1 P1 O2 103.36(16) . . ?
C1 P1 O3 108.66(18) . . ?
N5 O9 Dy1 96.96(19) . . ?
N5 O10 Dy1 94.61(18) . . ?
P1 O1 Dy1 149.93(16) . . ?
C37 O6 P2 121.8(3) . . ?
P2 O4 Dy1 163.58(18) . . ?
C46 O8 Dy1 144.5(3) . . ?
C41 O7 Dy1 157.6(3) . . ?
C16 O2 P1 121.7(3) . . ?
C18 O3 P1 127.0(3) . . ?
O9 N5 Dy1 57.96(16) . . ?
O10 N5 Dy1 60.17(16) . . ?
O10 N5 O9 117.9(3) . . ?
O11 N5 Dy1 175.3(3) . . ?
O11 N5 O9 120.7(3) . . ?
O11 N5 O10 121.4(3) . . ?
C35 O5 P2 119.6(3) . . ?
C49 N3 H3 119.3(2) . . ?
C48 N3 H3 119.3(2) . . ?
C48 N3 C49 121.4(3) . . ?
H20a C20 P2 108.24(11) . . ?
H20b C20 P2 108.24(12) . . ?
H20b C20 H20a 107.4 . . ?
C21 C20 P2 116.2(2) . . ?
C21 C20 H20a 108.24(18) . . ?
C21 C20 H20b 108.24(19) . . ?
N2 C40 Se2 178.9(3) . . ?
C2 C3 C4 123.5(3) . . ?
C8 C3 C4 116.6(3) . . ?
C8 C3 C2 119.9(3) . . ?
C33 C34 C21 123.7(3) . . ?
C29 C34 C21 118.6(3) . . ?
C29 C34 C33 117.6(3) . . ?
C42 C41 O7 121.6(4) . . ?
C44 C41 O7 121.7(4) . . ?
C44 C41 C42 116.7(4) . . ?
C43 N4 H4 119.0(3) . . ?
C45 N4 H4 119.0(3) . . ?
C45 N4 C43 122.0(4) . . ?
C34 C21 C20 119.3(3) . . ?
C22 C21 C20 119.7(3) . . ?
C22 C21 C34 121.0(3) . . ?
C39 N1 Dy1 162.7(3) . . ?
C47 C46 O8 122.6(3) . . ?
C50 C46 O8 121.3(4) . . ?
C50 C46 C47 116.1(3) . . ?
N1 C39 Se1 178.8(3) . . ?
C14 C15 C2 124.0(3) . . ?
C10 C15 C2 118.8(3) . . ?
C10 C15 C14 117.3(3) . . ?
H42 C42 C41 119.7(2) . . ?
C43 C42 C41 120.6(5) . . ?
C43 C42 H42 119.7(4) . . ?
C40 N2 Dy1 156.9(3) . . ?
H4a C4 C3 119.1(2) . . ?
C5 C4 C3 121.7(4) . . ?
C5 C4 H4a 119.1(3) . . ?
C15 C2 C3 120.4(3) . . ?
C1 C2 C3 120.4(3) . . ?
C1 C2 C15 119.2(3) . . ?
C27 C22 C21 118.9(3) . . ?
C23 C22 C21 123.9(3) . . ?
C23 C22 C27 117.2(3) . . ?
H33 C33 C34 119.0(2) . . ?
C32 C33 C34 121.9(4) . . ?
C32 C33 H33 119.0(3) . . ?
C2 C1 P1 115.4(2) . . ?
H1a C1 P1 108.42(11) . . ?
H1a C1 C2 108.42(18) . . ?
H1b C1 P1 108.42(11) . . ?
H1b C1 C2 108.42(18) . . ?
H1b C1 H1a 107.5 . . ?
H49 C49 N3 119.9(2) . . ?
C50 C49 N3 120.3(4) . . ?
C50 C49 H49 119.9(3) . . ?
H32 C32 C33 119.9(3) . . ?
C31 C32 C33 120.2(4) . . ?
C31 C32 H32 119.9(3) . . ?
H47 C47 C46 120.0(2) . . ?
C48 C47 C46 120.1(4) . . ?
C48 C47 H47 120.0(3) . . ?
C26 C27 C22 118.5(4) . . ?
C28 C27 C22 119.7(3) . . ?
C28 C27 C26 121.8(4) . . ?
H14 C14 C15 119.0(2) . . ?
C13 C14 C15 122.0(4) . . ?
C13 C14 H14 119.0(3) . . ?
C49 C50 C46 120.9(4) . . ?
H50 C50 C46 119.6(2) . . ?
H50 C50 C49 119.6(3) . . ?
H26 C26 C27 119.3(2) . . ?
C25 C26 C27 121.4(4) . . ?
C25 C26 H26 119.3(3) . . ?
C10 C11 H11 119.3(3) . . ?
C12 C11 H11 119.3(3) . . ?
C12 C11 C10 121.4(4) . . ?
H23 C23 C22 119.3(2) . . ?
C24 C23 C22 121.5(4) . . ?
C24 C23 H23 119.3(3) . . ?
C9 C8 C3 119.1(3) . . ?
C7 C8 C3 119.9(4) . . ?
C7 C8 C9 121.0(4) . . ?
C11 C10 C15 118.5(4) . . ?
C9 C10 C15 120.3(3) . . ?
C9 C10 C11 121.2(4) . . ?
H44 C44 C41 120.5(2) . . ?
C45 C44 C41 119.1(5) . . ?
C45 C44 H44 120.5(3) . . ?
C47 C48 N3 121.2(4) . . ?
H48 C48 N3 119.4(2) . . ?
H48 C48 C47 119.4(3) . . ?
H28 C28 C27 119.2(2) . . ?
C29 C28 C27 121.6(3) . . ?
C29 C28 H28 119.2(2) . . ?
C28 C29 C34 120.2(3) . . ?
C30 C29 C34 118.3(4) . . ?
C30 C29 C28 121.5(4) . . ?
C42 C43 N4 120.8(5) . . ?
H43 C43 N4 119.6(3) . . ?
H43 C43 C42 119.6(4) . . ?
H12 C12 C11 119.8(3) . . ?
C13 C12 C11 120.5(4) . . ?
C13 C12 H12 119.8(3) . . ?
C44 C45 N4 120.7(5) . . ?
H45 C45 N4 119.6(3) . . ?
H45 C45 C44 119.6(3) . . ?
H30 C30 C29 119.3(2) . . ?
C31 C30 C29 121.4(4) . . ?
C31 C30 H30 119.3(2) . . ?
H37a C37 O6 110.0(2) . . ?
H37b C37 O6 110.0(3) . . ?
H37b C37 H37a 108.4 . . ?
C38 C37 O6 108.3(4) . . ?
C38 C37 H37a 110.0(3) . . ?
C38 C37 H37b 110.0(4) . . ?
C10 C9 C8 121.6(3) . . ?
H9 C9 C8 119.2(2) . . ?
H9 C9 C10 119.2(2) . . ?
C12 C13 C14 120.3(4) . . ?
H13 C13 C14 119.9(3) . . ?
H13 C13 C12 119.9(3) . . ?
H7 C7 C8 119.6(2) . . ?
C6 C7 C8 120.8(4) . . ?
C6 C7 H7 119.6(3) . . ?
H25 C25 C26 119.8(3) . . ?
C24 C25 C26 120.5(4) . . ?
C24 C25 H25 119.8(3) . . ?
C30 C31 C32 120.6(4) . . ?
H31 C31 C32 119.7(3) . . ?
H31 C31 C30 119.7(2) . . ?
H5 C5 C4 119.5(3) . . ?
C6 C5 C4 121.0(4) . . ?
C6 C5 H5 119.5(3) . . ?
C5 C6 C7 119.9(4) . . ?
H6 C6 C7 120.0(3) . . ?
H6 C6 C5 120.0(3) . . ?
C25 C24 C23 120.9(4) . . ?
H24 C24 C23 119.6(3) . . ?
H24 C24 C25 119.6(3) . . ?
H38a C38 C37 109.5 . . ?
H38b C38 C37 109.5 . . ?
H38b C38 H38a 109.5 . . ?
H38c C38 C37 109.5 . . ?
H38c C38 H38a 109.5 . . ?
H38c C38 H38b 109.5 . . ?
H18a C18 O3 109.4(3) . . ?
H18b C18 O3 109.4(3) . . ?
H18b C18 H18a 108.0 . . ?
C19 C18 O3 111.1(4) . . ?
C19 C18 H18a 109.4(5) . . ?
C19 C18 H18b 109.4(4) . . ?
H36b C36 H36a 109.5 . . ?
H36c C36 H36a 109.5 . . ?
H36c C36 H36b 109.5 . . ?
C35 C36 H36a 109.5 . . ?
C35 C36 H36b 109.5 . . ?
C35 C36 H36c 109.5 . . ?
C36 C35 O5 110.7(4) . . ?
H35a C35 O5 109.5(3) . . ?
H35a C35 C36 109.5(4) . . ?
H35b C35 O5 109.5(2) . . ?
H35b C35 C36 109.5(3) . . ?
H35b C35 H35a 108.1 . . ?
H16a C16 O2 109.5(3) . . ?
H16b C16 O2 109.5(2) . . ?
H16b C16 H16a 108.1 . . ?
C17 C16 O2 110.7(5) . . ?
C17 C16 H16a 109.5(5) . . ?
C17 C16 H16b 109.5(4) . . ?
H19a C19 C18 109.5 . . ?
H19b C19 C18 109.5 . . ?
H19b C19 H19a 109.5 . . ?
H19c C19 C18 109.5 . . ?
H19c C19 H19a 109.5 . . ?
H19c C19 H19b 109.5 . . ?
H17a C17 C16 109.5 . . ?
H17b C17 C16 109.5 . . ?
H17b C17 H17a 109.5 . . ?
H17c C17 C16 109.5 . . ?
H17c C17 H17a 109.5 . . ?
H17c C17 H17b 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
Dy1 O9 N5 O10 5.3(2) . . . . ?
Dy1 O9 N5 O11 -174.8(2) . . . . ?
Dy1 O10 N5 O9 -5.2(2) . . . . ?
Dy1 O10 N5 O11 174.9(2) . . . . ?
Dy1 O1 P1 O2 -126.4(3) . . . . ?
Dy1 O1 P1 O3 116.7(3) . . . . ?
Dy1 O1 P1 C1 -8.5(4) . . . . ?
Dy1 O4 P2 O6 -125.6(7) . . . . ?
Dy1 O4 P2 O5 115.6(7) . . . . ?
Dy1 O4 P2 C20 -3.4(8) . . . . ?
Dy1 O8 C46 C47 -23.3(5) . . . . ?
Dy1 O8 C46 C50 156.5(4) . . . . ?
Dy1 O7 C41 C42 -55.9(7) . . . . ?
Dy1 O7 C41 C44 124.5(7) . . . . ?
P2 O6 C37 C38 -162.4(5) . . . . ?
P2 O5 C35 C36 -107.3(5) . . . . ?
P2 C20 C21 C34 90.1(3) . . . . ?
P2 C20 C21 C22 -89.7(3) . . . . ?
P1 O2 C16 C17 146.9(6) . . . . ?
P1 O3 C18 C19 -158.9(6) . . . . ?
P1 C1 C2 C3 88.2(3) . . . . ?
P1 C1 C2 C15 -93.9(3) . . . . ?
O8 C46 C47 C48 179.6(4) . . . . ?
O8 C46 C50 C49 180.0(4) . . . . ?
O7 C41 C42 C43 -176.7(4) . . . . ?
O7 C41 C44 C45 177.3(4) . . . . ?
N3 C49 C50 C46 0.4(5) . . . . ?
N3 C48 C47 C46 0.4(5) . . . . ?
C20 C21 C34 C33 -0.1(4) . . . . ?
C20 C21 C34 C29 178.9(3) . . . . ?
C20 C21 C22 C27 -179.3(3) . . . . ?
C20 C21 C22 C23 -1.1(4) . . . . ?
C3 C4 C5 C6 0.9(4) . . . . ?
C3 C2 C15 C14 -179.2(3) . . . . ?
C3 C2 C15 C10 1.8(4) . . . . ?
C3 C8 C9 C10 0.4(4) . . . . ?
C3 C8 C7 C6 -0.1(4) . . . . ?
C34 C21 C22 C27 0.9(4) . . . . ?
C34 C21 C22 C23 179.1(3) . . . . ?
C34 C33 C32 C31 0.6(5) . . . . ?
C34 C29 C28 C27 -1.0(4) . . . . ?
C34 C29 C30 C31 -0.2(4) . . . . ?
C41 C42 C43 N4 -0.8(5) . . . . ?
C41 C44 C45 N4 -0.3(5) . . . . ?
C21 C22 C27 C26 179.3(3) . . . . ?
C21 C22 C27 C28 -0.4(4) . . . . ?
C21 C22 C23 C24 -178.1(4) . . . . ?
C15 C14 C13 C12 -0.5(5) . . . . ?
C15 C10 C11 C12 0.6(4) . . . . ?
C15 C10 C9 C8 0.9(4) . . . . ?
C4 C5 C6 C7 -0.9(5) . . . . ?
C22 C27 C26 C25 -1.7(4) . . . . ?
C22 C27 C28 C29 0.5(4) . . . . ?
C22 C23 C24 C25 -0.6(5) . . . . ?
C33 C32 C31 C30 0.7(5) . . . . ?
C32 C31 C30 C29 -0.9(5) . . . . ?
C27 C26 C25 C24 1.3(5) . . . . ?
C27 C28 C29 C30 178.0(4) . . . . ?
C14 C13 C12 C11 -1.2(5) . . . . ?
C26 C25 C24 C23 -0.1(5) . . . . ?
C11 C10 C9 C8 -177.9(4) . . . . ?
C8 C7 C6 C5 0.5(5) . . . . ?
C28 C29 C30 C31 -179.1(4) . . . . ?


_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_y_a_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2424231'
loop_
_audit_author_name
_audit_author_address
a
;Nanjing University
China
;
_audit_update_record             
;
2025-02-16 deposited with the CCDC.	2025-04-21 downloaded from the CCDC.
;
_audit_creation_date             2024-11-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C50 H52 Dy N5 O11 P2 Se2'
_chemical_formula_sum            'C50 H52 Dy N5 O11 P2 Se2'
_chemical_formula_weight         1281.32
_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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   9.585(9)
_cell_length_b                   25.97(2)
_cell_length_c                   11.340(12)
_cell_angle_alpha                90
_cell_angle_beta                 112.620(19)
_cell_angle_gamma                90
_cell_volume                     2606(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4275
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      25.73
_cell_measurement_theta_min      2.31
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.955
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1445
_diffrn_reflns_av_unetI/netI     0.1122
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            22680
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.525
_diffrn_reflns_theta_min         1.945
_diffrn_ambient_temperature      300.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3469
_reflns_number_total             6120
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.920
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         6120
_refine_ls_number_restraints     113
_refine_ls_R_factor_all          0.1658
_refine_ls_R_factor_gt           0.0859
_refine_ls_restrained_S_all      1.115
_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)+(0.0390P)²+12.7412P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1556
_refine_ls_wR_factor_ref         0.1919
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O3-C18 \\sim O2-C16
 with sigma of 0.01
 C16-C17 \\sim C18-C19
 with sigma of 0.01
3. Rigid bond restraints
 N2, O10, O9, O11, O7
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 P1, O1, O3, O2, C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14,
 C15, C18, C19, C16, C17
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O8, C28, C29, C25, C26, C27, N4
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O7, C23, C24, C20, C21, C22, N3
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
O3 \\sim C18: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
Uanis(O7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Others
 Fixed Sof: C28(0.5) H28(0.5) C29(0.5) H29(0.5) C26(0.5) H26(0.5) C27(0.5)
 H27(0.5) N4(0.5) H4A(0.5)
6.a Riding coordinates:
 C28(H28), C29(H29), C26(H26), C27(H27), N4(H4A)
6.b Ternary CH refined with riding coordinates:
 C9(H9)
6.c Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C18(H18A,H18B), C16(H16A,H16B)
6.d Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C11(H11), C12(H12), C13(H13), C14(H14),
 C23(H23), C24(H24), C21(H21), C22(H22), N3(H3)
6.e Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C17(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.37812(8) 0.750000 0.74913(6) 0.0554(2) Uani 1 2 d S T P . .
Se1 Se 0.02451(19) 0.65471(6) 0.33228(14) 0.1183(6) Uani 1 1 d . . . . .
P1 P 0.4464(3) 0.60954(11) 0.7934(3) 0.0662(7) Uani 1 1 d . U . . .
C1 C 0.3858(11) 0.5889(4) 0.6309(9) 0.059(2) Uani 1 1 d . U . . .
H1A H 0.278925 0.581142 0.602914 0.071 Uiso 1 1 calc R U . . .
H1B H 0.393801 0.618653 0.582163 0.071 Uiso 1 1 calc R U . . .
C2 C 0.4583(11) 0.5432(4) 0.5872(9) 0.055(2) Uani 1 1 d . U . . .
C3 C 0.4386(11) 0.4923(4) 0.6444(8) 0.057(2) Uani 1 1 d . U . . .
C4 C 0.3276(12) 0.4829(4) 0.6919(10) 0.071(3) Uani 1 1 d . U . . .
H4 H 0.265860 0.509652 0.697414 0.085 Uiso 1 1 calc R U . . .
C5 C 0.3083(14) 0.4339(5) 0.7311(11) 0.086(3) Uani 1 1 d . U . . .
H5 H 0.233124 0.427999 0.762336 0.104 Uiso 1 1 calc R U . . .
C6 C 0.3979(16) 0.3941(5) 0.7247(11) 0.092(4) Uani 1 1 d . U . . .
H6 H 0.383422 0.361423 0.751362 0.110 Uiso 1 1 calc R U . . .
C7 C 0.5094(15) 0.4022(4) 0.6789(10) 0.083(3) Uani 1 1 d . U . . .
H7 H 0.571943 0.375255 0.676031 0.099 Uiso 1 1 calc R U . . .
C8 C 0.5280(11) 0.4511(4) 0.6369(8) 0.061(2) Uani 1 1 d . U . . .
C9 C 0.6312(11) 0.4598(3) 0.5704(8) 0.058(2) Uani 1 1 d . U . . .
H9 H 0.707187 0.432374 0.596121 0.069 Uiso 1 1 calc R U . . .
C10 C 0.7135(11) 0.5106(4) 0.6117(9) 0.061(2) Uani 1 1 d . U . . .
C11 C 0.8641(12) 0.5168(5) 0.6322(10) 0.075(3) Uani 1 1 d . U . . .
H11 H 0.921224 0.488310 0.628961 0.090 Uiso 1 1 calc R U . . .
C12 C 0.9309(13) 0.5647(5) 0.6574(11) 0.088(4) Uani 1 1 d . U . . .
H12 H 1.032641 0.568522 0.671878 0.106 Uiso 1 1 calc R U . . .
C13 C 0.8446(14) 0.6070(5) 0.6610(11) 0.084(3) Uani 1 1 d . U . . .
H13 H 0.888059 0.639577 0.676132 0.101 Uiso 1 1 calc R U . . .
C14 C 0.6941(12) 0.6010(4) 0.6421(9) 0.068(3) Uani 1 1 d . U . . .
H14 H 0.637492 0.629574 0.646057 0.082 Uiso 1 1 calc R U . . .
C15 C 0.6264(11) 0.5525(4) 0.6171(8) 0.057(2) Uani 1 1 d . U . . .
C18 C 0.3455(18) 0.5885(8) 0.9663(12) 0.144(4) Uani 1 1 d D U . . .
H18A H 0.332277 0.623911 0.986921 0.173 Uiso 1 1 calc R U . . .
H18B H 0.447854 0.578211 1.019335 0.173 Uiso 1 1 calc R U . . .
C19 C 0.243(2) 0.5570(9) 0.9951(15) 0.227(13) Uani 1 1 d D U . . .
H19A H 0.144695 0.572788 0.963131 0.340 Uiso 1 1 calc R U . . .
H19B H 0.276891 0.552829 1.086006 0.340 Uiso 1 1 calc R U . . .
H19C H 0.236830 0.523864 0.955793 0.340 Uiso 1 1 calc R U . . .
C16 C 0.7300(13) 0.6113(5) 0.9518(12) 0.101(4) Uani 1 1 d D U . . .
H16A H 0.714151 0.626243 1.024106 0.121 Uiso 1 1 calc R U . . .
H16B H 0.746442 0.639296 0.901926 0.121 Uiso 1 1 calc R U . . .
C17 C 0.8610(15) 0.5794(6) 0.9973(14) 0.134(6) Uani 1 1 d D U . . .
H17A H 0.851473 0.554768 1.056979 0.201 Uiso 1 1 calc R U . . .
H17B H 0.948944 0.600245 1.038853 0.201 Uiso 1 1 calc R U . . .
H17C H 0.870682 0.561535 0.926674 0.201 Uiso 1 1 calc R U . . .
C30 C 0.1297(14) 0.6810(4) 0.4821(12) 0.077(3) Uani 1 1 d . . . . .
C23 C 0.541(4) 0.750000 0.327(2) 0.139(9) Uani 1 2 d S TU P . .
H23 H 0.481082 0.750000 0.240010 0.167 Uiso 1 2 calc R U P . .
C24 C 0.479(2) 0.750000 0.4139(15) 0.096(5) Uani 1 2 d S TU P . .
H24 H 0.373824 0.750000 0.387365 0.115 Uiso 1 2 calc R U P . .
C20 C 0.5684(19) 0.750000 0.5433(14) 0.073(4) Uani 1 2 d S TU P . .
C21 C 0.722(2) 0.750000 0.577(2) 0.115(6) Uani 1 2 d S TU P . .
H21 H 0.785744 0.750000 0.662959 0.138 Uiso 1 2 calc R U P . .
C22 C 0.784(3) 0.750000 0.488(3) 0.154(10) Uani 1 2 d S TU P . .
H22 H 0.888307 0.750000 0.511240 0.184 Uiso 1 2 calc R U P . .
C28 C 0.000(4) 0.7680(15) 1.032(3) 0.103(10) Uani 0.5 1 d . U P . .
H28 H -0.079441 0.788674 1.040093 0.124 Uiso 0.5 1 d R U P . .
C29 C 0.045(3) 0.7793(11) 0.936(3) 0.106(8) Uani 0.5 1 d . U P . .
H29 H 0.004936 0.807401 0.875927 0.127 Uiso 0.5 1 d R U P . .
C25 C 0.1419(19) 0.750000 0.9037(15) 0.074(4) Uani 1 2 d S TU P . .
C26 C 0.197(4) 0.7928(11) 0.992(3) 0.122(11) Uani 0.5 1 d . U P . .
H26 H 0.231553 0.821047 0.954943 0.147 Uiso 0.5 1 d R U P . .
C27 C 0.142(4) 0.8054(12) 1.082(3) 0.132(11) Uani 0.5 1 d . U P . .
H27 H 0.177328 0.836866 1.129776 0.159 Uiso 0.5 1 d R U P . .
N1 N 0.1977(13) 0.6964(4) 0.5808(10) 0.106(4) Uani 1 1 d . . . . .
N4 N 0.058(3) 0.7687(15) 1.109(2) 0.120(14) Uani 0.5 1 d . U P . .
H4A H 0.043852 0.772824 1.182787 0.144 Uiso 0.5 1 d R U P . .
N3 N 0.690(4) 0.750000 0.366(3) 0.167(12) Uani 1 2 d S TU P . .
H3 H 0.729072 0.750000 0.308607 0.200 Uiso 1 2 calc R U P . .
N2 N 0.6201(15) 0.750000 1.0077(12) 0.069(3) Uani 1 2 d S TU P . .
O1 O 0.4539(9) 0.6662(3) 0.8068(7) 0.088(2) Uani 1 1 d . U . . .
O3 O 0.3263(9) 0.5855(4) 0.8369(8) 0.110(3) Uani 1 1 d D U . . .
O2 O 0.5987(8) 0.5835(3) 0.8753(7) 0.076(2) Uani 1 1 d D U . . .
O10 O 0.4870(12) 0.750000 0.9945(10) 0.080(3) Uani 1 2 d S TU P . .
O9 O 0.6488(12) 0.750000 0.9088(8) 0.072(3) Uani 1 2 d S TU P . .
O11 O 0.7240(14) 0.750000 1.1164(10) 0.115(5) Uani 1 2 d S TU P . .
O7 O 0.5130(14) 0.750000 0.6277(11) 0.111(4) Uani 1 2 d S TU P . .
O8 O 0.1853(13) 0.750000 0.8158(11) 0.105(4) Uani 1 2 d S TU P . .


_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 N1 2.456(11) 4_575 ?
Dy1 N1 2.456(11) . ?
Dy1 O1 2.307(7) 4_575 ?
Dy1 O1 2.307(7) . ?
Dy1 O10 2.568(10) . ?
Dy1 O9 2.529(10) . ?
Dy1 O7 2.222(11) . ?
Dy1 O8 2.250(10) . ?
Se1 C30 1.747(13) . ?
P1 C1 1.788(9) . ?
P1 O1 1.479(8) . ?
P1 O3 1.548(8) . ?
P1 O2 1.551(8) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.549(12) . ?
C2 C3 1.517(13) . ?
C2 C9 1.660(12) 3_666 ?
C2 C15 1.532(13) . ?
C3 C4 1.387(13) . ?
C3 C8 1.394(13) . ?
C4 H4 0.9300 . ?
C4 C5 1.384(15) . ?
C5 H5 0.9300 . ?
C5 C6 1.363(16) . ?
C6 H6 0.9300 . ?
C6 C7 1.371(17) . ?
C7 H7 0.9300 . ?
C7 C8 1.391(14) . ?
C8 C9 1.475(14) . ?
C9 H9 0.9800 . ?
C9 C10 1.514(13) . ?
C10 C11 1.381(14) . ?
C10 C15 1.387(13) . ?
C11 H11 0.9300 . ?
C11 C12 1.376(15) . ?
C12 H12 0.9300 . ?
C12 C13 1.386(16) . ?
C13 H13 0.9300 . ?
C13 C14 1.383(15) . ?
C14 H14 0.9300 . ?
C14 C15 1.395(13) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.412(15) . ?
C18 O3 1.409(11) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.426(14) . ?
C16 O2 1.421(11) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C30 N1 1.130(13) . ?
C23 H23 0.9300 . ?
C23 C24 1.34(3) . ?
C23 N3 1.32(3) . ?
C24 H24 0.9300 . ?
C24 C20 1.39(2) . ?
C20 C21 1.38(2) . ?
C20 O7 1.260(16) . ?
C21 H21 0.9300 . ?
C21 C22 1.35(3) . ?
C22 H22 0.9300 . ?
C22 N3 1.33(4) . ?
C28 C28 0.94(8) 4_575 ?
C28 H28 0.9651 . ?
C28 C29 1.80(4) 4_575 ?
C28 C29 1.35(4) . ?
C28 C27 1.59(5) . ?
C28 N4 0.84(3) . ?
C28 N4 1.27(3) 4_575 ?
C29 C29 1.52(6) 4_575 ?
C29 H29 0.9693 . ?
C29 C25 1.35(3) . ?
C29 C26 1.39(4) . ?
C29 C27 1.70(4) . ?
C29 N4 1.94(3) . ?
C25 C26 1.45(3) . ?
C25 C26 1.45(3) 4_575 ?
C25 O8 1.219(16) . ?
C26 H26 0.9653 . ?
C26 C27 1.35(3) . ?
C27 H27 0.9692 . ?
C27 N4 1.36(4) . ?
N4 H28 1.3473 . ?
N4 N4 0.97(8) 4_575 ?
N4 H4A 0.9011 . ?
N3 H3 0.8600 . ?
N2 O10 1.226(15) . ?
N2 O9 1.254(14) . ?
N2 O11 1.252(15) . ?

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
N1 Dy1 N1 69.0(5) 4_575 . ?
N1 Dy1 O10 135.5(3) 4_575 . ?
N1 Dy1 O10 135.5(3) . . ?
N1 Dy1 O9 141.1(3) 4_575 . ?
N1 Dy1 O9 141.1(3) . . ?
O1 Dy1 N1 143.6(3) . 4_575 ?
O1 Dy1 N1 74.8(3) . . ?
O1 Dy1 N1 143.6(3) 4_575 . ?
O1 Dy1 N1 74.8(3) 4_575 4_575 ?
O1 Dy1 O1 141.1(4) . 4_575 ?
O1 Dy1 O10 74.96(19) 4_575 . ?
O1 Dy1 O10 74.96(19) . . ?
O1 Dy1 O9 70.89(19) 4_575 . ?
O1 Dy1 O9 70.89(19) . . ?
O9 Dy1 O10 49.2(3) . . ?
O7 Dy1 N1 85.5(4) . 4_575 ?
O7 Dy1 N1 85.5(4) . . ?
O7 Dy1 O1 88.9(2) . . ?
O7 Dy1 O1 88.9(2) . 4_575 ?
O7 Dy1 O10 125.5(4) . . ?
O7 Dy1 O9 76.3(4) . . ?
O7 Dy1 O8 163.2(4) . . ?
O8 Dy1 N1 80.6(4) . 4_575 ?
O8 Dy1 N1 80.6(4) . . ?
O8 Dy1 O1 96.6(2) . . ?
O8 Dy1 O1 96.6(2) . 4_575 ?
O8 Dy1 O10 71.3(4) . . ?
O8 Dy1 O9 120.6(4) . . ?
O1 P1 C1 112.8(5) . . ?
O1 P1 O3 112.5(5) . . ?
O1 P1 O2 112.0(4) . . ?
O3 P1 C1 102.8(5) . . ?
O3 P1 O2 106.1(5) . . ?
O2 P1 C1 110.1(4) . . ?
P1 C1 H1A 106.5 . . ?
P1 C1 H1B 106.5 . . ?
H1A C1 H1B 106.5 . . ?
C2 C1 P1 123.5(7) . . ?
C2 C1 H1A 106.5 . . ?
C2 C1 H1B 106.5 . . ?
C1 C2 C9 105.8(7) . 3_666 ?
C3 C2 C1 112.7(8) . . ?
C3 C2 C9 108.7(7) . 3_666 ?
C3 C2 C15 109.6(8) . . ?
C15 C2 C1 111.8(8) . . ?
C15 C2 C9 108.1(7) . 3_666 ?
C4 C3 C2 124.0(9) . . ?
C4 C3 C8 118.0(10) . . ?
C8 C3 C2 117.6(9) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.2(11) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.0(11) . . ?
C6 C5 H5 119.5 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.2(11) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 H7 120.3 . . ?
C6 C7 C8 119.3(12) . . ?
C8 C7 H7 120.3 . . ?
C3 C8 C9 117.5(9) . . ?
C7 C8 C3 121.2(11) . . ?
C7 C8 C9 121.1(10) . . ?
C2 C9 H9 107.6 3_666 . ?
C8 C9 C2 111.8(8) . 3_666 ?
C8 C9 H9 107.6 . . ?
C8 C9 C10 110.4(8) . . ?
C10 C9 C2 111.6(8) . 3_666 ?
C10 C9 H9 107.6 . . ?
C11 C10 C9 122.7(9) . . ?
C11 C10 C15 120.5(10) . . ?
C15 C10 C9 116.5(9) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 120.9(11) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 120.4 . . ?
C11 C12 C13 119.1(11) . . ?
C13 C12 H12 120.4 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.4(11) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 120.5(11) . . ?
C15 C14 H14 119.7 . . ?
C10 C15 C2 117.8(9) . . ?
C10 C15 C14 118.5(10) . . ?
C14 C15 C2 123.6(9) . . ?
H18A C18 H18B 107.8 . . ?
C19 C18 H18A 109.1 . . ?
C19 C18 H18B 109.1 . . ?
O3 C18 H18A 109.1 . . ?
O3 C18 H18B 109.1 . . ?
O3 C18 C19 112.7(13) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
H16A C16 H16B 107.9 . . ?
C17 C16 H16A 109.2 . . ?
C17 C16 H16B 109.2 . . ?
O2 C16 H16A 109.2 . . ?
O2 C16 H16B 109.2 . . ?
O2 C16 C17 112.0(11) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C30 Se1 177.8(12) . . ?
C24 C23 H23 120.4 . . ?
N3 C23 H23 120.4 . . ?
N3 C23 C24 119(2) . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C20 120(2) . . ?
C20 C24 H24 119.8 . . ?
C21 C20 C24 117.2(16) . . ?
O7 C20 C24 122.1(17) . . ?
O7 C20 C21 120.7(17) . . ?
C20 C21 H21 119.2 . . ?
C22 C21 C20 122(2) . . ?
C22 C21 H21 119.2 . . ?
C21 C22 H22 121.1 . . ?
N3 C22 C21 118(3) . . ?
N3 C22 H22 121.1 . . ?
C28 C28 H28 123.7 4_575 . ?
C28 C28 C29 102.5(19) 4_575 . ?
C28 C28 C29 47.0(14) 4_575 4_575 ?
C28 C28 C27 127.6(19) 4_575 . ?
C28 C28 N4 41.2(15) 4_575 4_575 ?
C29 C28 H28 145.0 4_575 . ?
C29 C28 H28 117.9 . . ?
C29 C28 C29 55(2) . 4_575 ?
C29 C28 C27 70(2) . . ?
C27 C28 H28 103.2 . . ?
C27 C28 C29 105(2) . 4_575 ?
N4 C28 C28 91(5) . 4_575 ?
N4 C28 H28 96.6 . . ?
N4 C28 H28 120.0 4_575 . ?
N4 C28 C29 76(2) 4_575 4_575 ?
N4 C28 C29 116(5) . 4_575 ?
N4 C28 C29 124(5) . . ?
N4 C28 C29 122(3) 4_575 . ?
N4 C28 C27 59(4) . . ?
N4 C28 C27 97(3) 4_575 . ?
N4 C28 N4 50(5) . 4_575 ?
C28 C29 C28 30(3) . 4_575 ?
C28 C29 C29 78(2) . 4_575 ?
C28 C29 H29 144.3 4_575 . ?
C28 C29 H29 124.2 . . ?
C28 C29 C25 124(3) . . ?
C28 C29 C26 107(3) . . ?
C28 C29 C27 62(2) . . ?
C28 C29 N4 21.0(18) . . ?
C28 C29 N4 39.3(12) 4_575 . ?
C29 C29 C28 47.0(14) 4_575 4_575 ?
C29 C29 H29 138.8 4_575 . ?
C29 C29 C27 113.5(15) 4_575 . ?
C29 C29 N4 81.9(15) 4_575 . ?
C25 C29 C28 97.3(19) . 4_575 ?
C25 C29 C29 55.7(13) . 4_575 ?
C25 C29 H29 111.5 . . ?
C25 C29 C26 64.0(16) . . ?
C25 C29 C27 108(2) . . ?
C25 C29 N4 114(2) . . ?
C26 C29 C28 110(2) . 4_575 ?
C26 C29 C29 104.7(17) . 4_575 ?
C26 C29 H29 101.3 . . ?
C26 C29 C27 50.8(17) . . ?
C26 C29 N4 86(2) . . ?
C27 C29 C28 81.4(17) . 4_575 ?
C27 C29 H29 107.6 . . ?
C27 C29 N4 43.3(14) . . ?
N4 C29 H29 131.8 . . ?
C29 C25 C29 69(3) 4_575 . ?
C29 C25 C26 110.5(18) . 4_575 ?
C29 C25 C26 110.5(18) 4_575 . ?
C29 C25 C26 59.2(15) . . ?
C29 C25 C26 59.2(15) 4_575 4_575 ?
C26 C25 C26 100(3) . 4_575 ?
O8 C25 C29 134.7(15) . 4_575 ?
O8 C25 C29 134.7(15) . . ?
O8 C25 C26 114.6(14) . . ?
O8 C25 C26 114.6(14) . 4_575 ?
C29 C26 C25 56.8(17) . . ?
C29 C26 H26 117.8 . . ?
C25 C26 H26 112.1 . . ?
C27 C26 C29 76(2) . . ?
C27 C26 C25 124(3) . . ?
C27 C26 H26 116.3 . . ?
C28 C27 C29 48.5(16) . . ?
C28 C27 H27 141.4 . . ?
C29 C27 H27 145.9 . . ?
C26 C27 C28 97(3) . . ?
C26 C27 C29 52.7(18) . . ?
C26 C27 H27 118.3 . . ?
C26 C27 N4 116(3) . . ?
N4 C27 C28 31.8(16) . . ?
N4 C27 C29 78(2) . . ?
N4 C27 H27 124.8 . . ?
C30 N1 Dy1 159.5(12) . . ?
C28 N4 C28 48(5) . 4_575 ?
C28 N4 H28 79.7 4_575 . ?
C28 N4 H28 45.4 . . ?
C28 N4 C29 35(3) . . ?
C28 N4 C29 64.4(19) 4_575 . ?
C28 N4 C27 120(3) 4_575 . ?
C28 N4 C27 89(5) . . ?
C28 N4 N4 89(5) . 4_575 ?
C28 N4 H4A 123.4 4_575 . ?
C28 N4 H4A 134.5 . . ?
H28 N4 H4A 92.0 . . ?
C29 N4 H28 72.0 . . ?
C29 N4 H4A 161.4 . . ?
C27 N4 H28 97.5 . . ?
C27 N4 C29 58.7(19) . . ?
C27 N4 H4A 116.1 . . ?
N4 N4 C28 41.2(15) 4_575 4_575 ?
N4 N4 H28 112.6 4_575 . ?
N4 N4 C29 98.1(15) 4_575 . ?
N4 N4 C27 134.4(19) 4_575 . ?
N4 N4 H4A 96.8 4_575 . ?
C23 N3 C22 124(2) . . ?
C23 N3 H3 118.1 . . ?
C22 N3 H3 118.1 . . ?
O10 N2 O9 117.8(12) . . ?
O10 N2 O11 121.1(13) . . ?
O11 N2 O9 121.0(13) . . ?
P1 O1 Dy1 155.8(5) . . ?
C18 O3 P1 119.6(8) . . ?
C16 O2 P1 123.6(7) . . ?
N2 O10 Dy1 95.9(8) . . ?
N2 O9 Dy1 97.1(8) . . ?
C20 O7 Dy1 170.4(12) . . ?
C25 O8 Dy1 149.1(12) . . ?

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
P1 C1 C2 C3 63.2(11) . . . . ?
P1 C1 C2 C9 -178.3(7) . . . 3_666 ?
P1 C1 C2 C15 -60.8(11) . . . . ?
C1 P1 O1 Dy1 36.2(15) . . . . ?
C1 P1 O3 C18 172.8(12) . . . . ?
C1 P1 O2 C16 125.2(9) . . . . ?
C1 C2 C3 C4 21.5(13) . . . . ?
C1 C2 C3 C8 -165.2(8) . . . . ?
C1 C2 C15 C10 164.9(8) . . . . ?
C1 C2 C15 C14 -19.0(13) . . . . ?
C2 C3 C4 C5 173.7(9) . . . . ?
C2 C3 C8 C7 -175.4(9) . . . . ?
C2 C3 C8 C9 -1.8(12) . . . . ?
C2 C9 C10 C11 -94.6(11) 3_666 . . . ?
C2 C9 C10 C15 79.7(10) 3_666 . . . ?
C3 C2 C15 C10 39.2(11) . . . . ?
C3 C2 C15 C14 -144.6(9) . . . . ?
C3 C4 C5 C6 0.4(18) . . . . ?
C3 C8 C9 C2 -79.9(10) . . . 3_666 ?
C3 C8 C9 C10 44.9(11) . . . . ?
C4 C3 C8 C7 -1.7(14) . . . . ?
C4 C3 C8 C9 171.9(9) . . . . ?
C4 C5 C6 C7 0.0(19) . . . . ?
C5 C6 C7 C8 -1.3(19) . . . . ?
C6 C7 C8 C3 2.1(16) . . . . ?
C6 C7 C8 C9 -171.2(10) . . . . ?
C7 C8 C9 C2 93.7(11) . . . 3_666 ?
C7 C8 C9 C10 -141.5(10) . . . . ?
C8 C3 C4 C5 0.4(15) . . . . ?
C8 C9 C10 C11 140.4(10) . . . . ?
C8 C9 C10 C15 -45.3(11) . . . . ?
C9 C2 C3 C4 -95.4(10) 3_666 . . . ?
C9 C2 C3 C8 77.9(10) 3_666 . . . ?
C9 C2 C15 C10 -79.1(10) 3_666 . . . ?
C9 C2 C15 C14 97.1(10) 3_666 . . . ?
C9 C10 C11 C12 173.5(10) . . . . ?
C9 C10 C15 C2 2.7(13) . . . . ?
C9 C10 C15 C14 -173.6(8) . . . . ?
C10 C11 C12 C13 -0.6(17) . . . . ?
C11 C10 C15 C2 177.1(9) . . . . ?
C11 C10 C15 C14 0.8(14) . . . . ?
C11 C12 C13 C14 1.4(18) . . . . ?
C12 C13 C14 C15 -1.1(17) . . . . ?
C13 C14 C15 C2 -176.1(9) . . . . ?
C13 C14 C15 C10 0.0(15) . . . . ?
C15 C2 C3 C4 146.7(9) . . . . ?
C15 C2 C3 C8 -40.0(11) . . . . ?
C15 C10 C11 C12 -0.5(16) . . . . ?
C19 C18 O3 P1 -169.1(17) . . . . ?
C17 C16 O2 P1 -168.7(10) . . . . ?
C23 C24 C20 C21 0.000(8) . . . . ?
C23 C24 C20 O7 180.000(5) . . . . ?
C24 C23 N3 C22 0.000(10) . . . . ?
C24 C20 C21 C22 0.000(11) . . . . ?
C20 C21 C22 N3 0.000(13) . . . . ?
C21 C22 N3 C23 0.000(11) . . . . ?
C28 C28 C29 C29 0.00(4) 4_575 . . 4_575 ?
C28 C28 C29 C25 -32(3) 4_575 . . . ?
C28 C28 C29 C26 -102(2) 4_575 . . . ?
C28 C28 C29 C27 -125.8(18) 4_575 . . . ?
C28 C28 C29 N4 -100(7) 4_575 . . . ?
C28 C28 C27 C29 91(2) 4_575 . . . ?
C28 C28 C27 C26 67(3) 4_575 . . . ?
C28 C28 C27 N4 -64(4) 4_575 . . . ?
C28 C28 N4 C29 106(5) 4_575 . . . ?
C28 C28 N4 C27 134.4(18) 4_575 . . . ?
C28 C28 N4 N4 0.00(2) 4_575 . . 4_575 ?
C28 C29 C25 C29 23(2) 4_575 . . 4_575 ?
C28 C29 C25 C29 39(4) . . . 4_575 ?
C28 C29 C25 C26 -20(3) 4_575 . . 4_575 ?
C28 C29 C25 C26 -109(2) 4_575 . . . ?
C28 C29 C25 C26 -4(4) . . . 4_575 ?
C28 C29 C25 C26 -93(3) . . . . ?
C28 C29 C25 O8 172(2) . . . . ?
C28 C29 C25 O8 156(2) 4_575 . . . ?
C28 C29 C26 C25 88(2) 4_575 . . . ?
C28 C29 C26 C25 120(3) . . . . ?
C28 C29 C26 C27 -28(3) . . . . ?
C28 C29 C26 C27 -59(3) 4_575 . . . ?
C28 C29 C27 C28 -25(2) 4_575 . . . ?
C28 C29 C27 C26 125(3) 4_575 . . . ?
C28 C29 C27 C26 150(3) . . . . ?
C28 C29 C27 N4 -11(2) 4_575 . . . ?
C28 C29 C27 N4 13(3) . . . . ?
C28 C27 N4 C28 38(3) . . . 4_575 ?
C28 C27 N4 C29 19(4) . . . . ?
C28 C27 N4 N4 88(4) . . . 4_575 ?
C29 C28 C29 C28 0.00(5) 4_575 . . 4_575 ?
C29 C28 C29 C25 -32(3) 4_575 . . . ?
C29 C28 C29 C26 -102(2) 4_575 . . . ?
C29 C28 C29 C27 -125.8(18) 4_575 . . . ?
C29 C28 C29 N4 -100(7) 4_575 . . . ?
C29 C28 C27 C29 43.8(19) 4_575 . . . ?
C29 C28 C27 C26 -24(3) . . . . ?
C29 C28 C27 C26 20(3) 4_575 . . . ?
C29 C28 C27 N4 -111(5) 4_575 . . . ?
C29 C28 C27 N4 -155(5) . . . . ?
C29 C28 N4 C28 -42(3) 4_575 . . 4_575 ?
C29 C28 N4 C28 -106(5) . . . 4_575 ?
C29 C28 N4 C29 64(4) 4_575 . . . ?
C29 C28 N4 C27 29(6) . . . . ?
C29 C28 N4 C27 93(4) 4_575 . . . ?
C29 C28 N4 N4 -106(5) . . . 4_575 ?
C29 C28 N4 N4 -42(3) 4_575 . . 4_575 ?
C29 C29 C25 C26 -132.3(19) 4_575 . . . ?
C29 C29 C25 C26 -42.8(17) 4_575 . . 4_575 ?
C29 C29 C25 O8 132(3) 4_575 . . . ?
C29 C29 C26 C25 39.2(12) 4_575 . . . ?
C29 C29 C26 C27 -108.6(19) 4_575 . . . ?
C29 C29 C27 C28 -60(2) 4_575 . . . ?
C29 C29 C27 C26 90(2) 4_575 . . . ?
C29 C29 C27 N4 -47(2) 4_575 . . . ?
C29 C25 C26 C29 -47(3) 4_575 . . . ?
C29 C25 C26 C27 39(3) . . . . ?
C29 C25 C26 C27 -9(5) 4_575 . . . ?
C29 C25 O8 Dy1 128(2) . . . . ?
C29 C25 O8 Dy1 -128(2) 4_575 . . . ?
C29 C26 C27 C28 22(3) . . . . ?
C29 C26 C27 N4 49(4) . . . . ?
C29 C27 N4 C28 19(3) . . . 4_575 ?
C29 C27 N4 C28 -19(4) . . . . ?
C29 C27 N4 N4 69(3) . . . 4_575 ?
C25 C29 C26 C27 -148(3) . . . . ?
C25 C29 C27 C28 -120(3) . . . . ?
C25 C29 C27 C26 30(2) . . . . ?
C25 C29 C27 N4 -106(3) . . . . ?
C25 C26 C27 C28 -10(4) . . . . ?
C25 C26 C27 C29 -33(3) . . . . ?
C25 C26 C27 N4 16(6) . . . . ?
C26 C29 C25 C29 132.3(19) . . . 4_575 ?
C26 C29 C25 C26 90(3) . . . 4_575 ?
C26 C29 C25 O8 -95(3) . . . . ?
C26 C29 C27 C28 -150(3) . . . . ?
C26 C29 C27 N4 -137(3) . . . . ?
C26 C25 C26 C29 -108(2) 4_575 . . . ?
C26 C25 C26 C27 -69(4) 4_575 . . . ?
C26 C25 O8 Dy1 57.4(18) . . . . ?
C26 C25 O8 Dy1 -57.4(18) 4_575 . . . ?
C26 C27 N4 C28 -19(5) . . . 4_575 ?
C26 C27 N4 C28 -56(6) . . . . ?
C26 C27 N4 C29 -38(3) . . . . ?
C26 C27 N4 N4 31(5) . . . 4_575 ?
C27 C28 C29 C28 125.8(17) . . . 4_575 ?
C27 C28 C29 C29 125.8(18) . . . 4_575 ?
C27 C28 C29 C25 94(3) . . . . ?
C27 C28 C29 C26 24(3) . . . . ?
C27 C28 C29 N4 26(6) . . . . ?
C27 C28 N4 C28 -134.4(19) . . . 4_575 ?
C27 C28 N4 C29 -29(6) . . . . ?
C27 C28 N4 N4 -134.4(18) . . . 4_575 ?
C27 C29 C25 C29 107(2) . . . 4_575 ?
C27 C29 C25 C26 -26(2) . . . . ?
C27 C29 C25 C26 64(3) . . . 4_575 ?
C27 C29 C25 O8 -121(2) . . . . ?
C27 C29 C26 C25 148(3) . . . . ?
N4 C28 C29 C28 40(2) 4_575 . . 4_575 ?
N4 C28 C29 C28 100(7) . . . 4_575 ?
N4 C28 C29 C29 40(2) 4_575 . . 4_575 ?
N4 C28 C29 C29 100(7) . . . 4_575 ?
N4 C28 C29 C25 68(8) . . . . ?
N4 C28 C29 C25 7(5) 4_575 . . . ?
N4 C28 C29 C26 -2(8) . . . . ?
N4 C28 C29 C26 -62(4) 4_575 . . . ?
N4 C28 C29 C27 -26(6) . . . . ?
N4 C28 C29 C27 -86(3) 4_575 . . . ?
N4 C28 C29 N4 -60(7) 4_575 . . . ?
N4 C28 C27 C29 122(3) 4_575 . . . ?
N4 C28 C27 C29 155(5) . . . . ?
N4 C28 C27 C26 98(3) 4_575 . . . ?
N4 C28 C27 C26 131(5) . . . . ?
N4 C28 C27 N4 -33(4) 4_575 . . . ?
N4 C28 N4 C28 0.00(4) 4_575 . . 4_575 ?
N4 C28 N4 C29 106(5) 4_575 . . . ?
N4 C28 N4 C27 134.4(18) 4_575 . . . ?
N4 C29 C25 C29 60(3) . . . 4_575 ?
N4 C29 C25 C26 18(3) . . . 4_575 ?
N4 C29 C25 C26 -72(2) . . . . ?
N4 C29 C25 O8 -167.2(19) . . . . ?
N4 C29 C26 C25 119.6(19) . . . . ?
N4 C29 C26 C27 -28(2) . . . . ?
N4 C29 C27 C28 -13(3) . . . . ?
N4 C29 C27 C26 137(3) . . . . ?
N3 C23 C24 C20 0.000(8) . . . . ?
O1 P1 C1 C2 137.9(8) . . . . ?
O1 P1 O3 C18 -65.6(14) . . . . ?
O1 P1 O2 C16 -1.2(11) . . . . ?
O3 P1 C1 C2 -100.7(9) . . . . ?
O3 P1 O1 Dy1 -79.5(14) . . . . ?
O3 P1 O2 C16 -124.2(9) . . . . ?
O2 P1 C1 C2 12.0(10) . . . . ?
O2 P1 O1 Dy1 161.1(12) . . . . ?
O2 P1 O3 C18 57.2(13) . . . . ?
O10 N2 O9 Dy1 0.000(7) . . . . ?
O9 N2 O10 Dy1 0.000(6) . . . . ?
O11 N2 O10 Dy1 180.000(8) . . . . ?
O11 N2 O9 Dy1 180.000(8) . . . . ?
O7 C20 C21 C22 180.000(10) . . . . ?
O8 C25 C26 C29 129(2) . . . . ?
O8 C25 C26 C27 168(3) . . . . ?

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2424230'
loop_
_audit_author_name
_audit_author_address
y
;Nanjing University
China
;
_audit_update_record             
;
2025-02-16 deposited with the CCDC.	2025-04-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H52 Dy N5 O11 P2 Se2'
_chemical_formula_weight         1281.32

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7055(12)
_cell_length_b                   11.1138(13)
_cell_length_c                   25.416(3)
_cell_angle_alpha                90.469(3)
_cell_angle_beta                 92.518(4)
_cell_angle_gamma                112.134(3)
_cell_volume                     2536.1(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    9371
_cell_measurement_theta_min      3.201
_cell_measurement_theta_max      27.495

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_F_000             1278
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    3.036
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17852
_diffrn_reflns_av_unetI/netI     0.0463
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.979
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measured_fraction_theta_full 0.941
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_Laue_measured_fraction_full 0.941
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_point_group_measured_fraction_full 0.941
_reflns_number_total             9371
_reflns_number_gt                8936
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0304P)²+47.7693P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9371
_refine_ls_number_parameters     644
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0582
_refine_ls_wR_factor_ref         0.1582
_refine_ls_wR_factor_gt          0.1559
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_restrained_S_all      1.142
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.39653(4) 0.29855(3) 0.75054(2) 0.01419(11) Uani 1 1 d . . . . .
Se1 Se 0.01021(10) -0.11721(8) 0.84112(3) 0.0237(2) Uani 1 1 d . . . . .
Se2 Se 0.01092(10) -0.13660(8) 0.66263(4) 0.0274(2) Uani 1 1 d . . . . .
P2 P 0.5328(2) 0.3483(2) 0.61412(8) 0.0194(4) Uani 1 1 d . . . . .
P1 P 0.4770(2) 0.3590(2) 0.89346(9) 0.0201(4) Uani 1 1 d . . . . .
O9 O 0.6626(6) 0.4542(5) 0.7577(2) 0.0191(12) Uani 1 1 d . . . . .
O10 O 0.5024(6) 0.5463(5) 0.7456(2) 0.0195(12) Uani 1 1 d . . . . .
O1 O 0.4475(7) 0.3781(6) 0.8374(2) 0.0229(12) Uani 1 1 d . . . . .
O6 O 0.7028(7) 0.4400(6) 0.6112(2) 0.0264(13) Uani 1 1 d . . . . .
O4 O 0.4871(7) 0.3549(6) 0.6680(2) 0.0252(13) Uani 1 1 d . . . . .
O8 O 0.2010(7) 0.3569(6) 0.7358(3) 0.0277(14) Uani 1 1 d . . . . .
O7 O 0.5343(7) 0.1803(6) 0.7663(3) 0.0298(15) Uani 1 1 d . . . . .
O2 O 0.3669(7) 0.3816(5) 0.9317(2) 0.0253(13) Uani 1 1 d . . . . .
O3 O 0.6342(7) 0.4571(6) 0.9155(3) 0.0313(15) Uani 1 1 d . . . . .
N5 N 0.6356(7) 0.5567(6) 0.7502(3) 0.0182(14) Uani 1 1 d . . . . .
O11 O 0.7412(7) 0.6637(5) 0.7474(3) 0.0341(17) Uani 1 1 d . . . . .
O5 O 0.4432(7) 0.3942(6) 0.5710(2) 0.0249(13) Uani 1 1 d . . . . .
N3 N 0.0370(9) 0.6357(7) 0.7597(3) 0.0282(17) Uani 1 1 d . . . . .
H3 H 0.001248 0.696548 0.764956 0.034 Uiso 1 1 calc R U . . .
C20 C 0.5052(10) 0.1855(8) 0.5932(3) 0.0216(17) Uani 1 1 d . . . . .
H20A H 0.535094 0.142390 0.623002 0.026 Uiso 1 1 calc R U . . .
H20B H 0.397472 0.137331 0.585046 0.026 Uiso 1 1 calc R U . . .
C40 C 0.1584(10) 0.0151(8) 0.6796(3) 0.0234(18) Uani 1 1 d . . . . .
C3 C 0.5037(9) 0.1700(7) 1.0052(3) 0.0213(17) Uani 1 1 d . . . . .
C34 C 0.7337(10) 0.1712(7) 0.5539(3) 0.0221(17) Uani 1 1 d . . . . .
C41 C 0.5837(11) 0.0905(8) 0.7592(3) 0.0226(18) Uani 1 1 d . . . . .
N4 N 0.6919(15) -0.1022(11) 0.7479(4) 0.058(3) Uani 1 1 d . . . . .
H4 H 0.726447 -0.164766 0.745882 0.070 Uiso 1 1 calc R U . . .
C21 C 0.5894(9) 0.1739(7) 0.5455(3) 0.0190(16) Uani 1 1 d . . . . .
N1 N 0.2158(9) 0.1310(7) 0.8024(3) 0.0331(18) Uani 1 1 d . . . . .
C46 C 0.1503(9) 0.4444(8) 0.7438(4) 0.0207(17) Uani 1 1 d . . . . .
C39 C 0.1367(9) 0.0345(8) 0.8176(3) 0.0206(17) Uani 1 1 d . . . . .
C15 C 0.7015(9) 0.1815(8) 0.9462(3) 0.0197(16) Uani 1 1 d . . . . .
C42 C 0.4835(12) -0.0426(9) 0.7543(4) 0.033(2) Uani 1 1 d . . . . .
H42 H 0.378771 -0.066076 0.754703 0.039 Uiso 1 1 calc R U . . .
N2 N 0.2513(9) 0.1129(7) 0.6907(3) 0.0268(16) Uani 1 1 d . . . . .
C4 C 0.3594(10) 0.1722(8) 1.0164(4) 0.0245(18) Uani 1 1 d . . . . .
H4A H 0.297853 0.184104 0.988450 0.029 Uiso 1 1 calc R U . . .
C2 C 0.5575(9) 0.1832(7) 0.9537(3) 0.0199(16) Uani 1 1 d . . . . .
C22 C 0.5249(10) 0.1658(7) 0.4949(3) 0.0191(16) Uani 1 1 d . . . . .
C33 C 0.8056(10) 0.1783(8) 0.6042(4) 0.0254(18) Uani 1 1 d . . . . .
H33 H 0.757759 0.190420 0.634496 0.030 Uiso 1 1 calc R U . . .
C1 C 0.4631(9) 0.1966(7) 0.9077(3) 0.0195(16) Uani 1 1 d . . . . .
H1A H 0.357762 0.143515 0.914077 0.023 Uiso 1 1 calc R U . . .
H1B H 0.489620 0.159225 0.876061 0.023 Uiso 1 1 calc R U . . .
C49 C -0.0187(10) 0.5513(8) 0.7196(4) 0.0259(19) Uani 1 1 d . . . . .
H49 H -0.096431 0.557353 0.697038 0.031 Uiso 1 1 calc R U . . .
C32 C 0.9406(10) 0.1684(8) 0.6107(4) 0.030(2) Uani 1 1 d . . . . .
H32 H 0.983958 0.170708 0.645110 0.035 Uiso 1 1 calc R U . . .
C47 C 0.2054(10) 0.5383(9) 0.7861(4) 0.028(2) Uani 1 1 d . . . . .
H47 H 0.283167 0.535909 0.809606 0.034 Uiso 1 1 calc R U . . .
C27 C 0.6051(10) 0.1542(8) 0.4501(3) 0.0242(18) Uani 1 1 d . . . . .
C14 C 0.7657(10) 0.1969(8) 0.8959(4) 0.0273(19) Uani 1 1 d . . . . .
H14 H 0.714370 0.215162 0.866256 0.033 Uiso 1 1 calc R U . . .
C50 C 0.0345(9) 0.4559(8) 0.7104(4) 0.0217(17) Uani 1 1 d . . . . .
H50 H -0.006100 0.396695 0.681400 0.026 Uiso 1 1 calc R U . . .
C26 C 0.5383(12) 0.1457(8) 0.3977(4) 0.032(2) Uani 1 1 d . . . . .
H26 H 0.592285 0.140652 0.368033 0.039 Uiso 1 1 calc R U . . .
C11 C 0.9258(10) 0.1486(9) 0.9812(4) 0.031(2) Uani 1 1 d . . . . .
H11 H 0.982614 0.133874 1.010029 0.037 Uiso 1 1 calc R U . . .
C23 C 0.3776(10) 0.1667(8) 0.4840(3) 0.0233(18) Uani 1 1 d . . . . .
H23 H 0.321109 0.174836 0.512422 0.028 Uiso 1 1 calc R U . . .
C8 C 0.5897(10) 0.1501(7) 1.0484(3) 0.0224(18) Uani 1 1 d . . . . .
C10 C 0.7860(10) 0.1583(8) 0.9901(4) 0.0231(18) Uani 1 1 d . . . . .
C44 C 0.7365(11) 0.1167(11) 0.7537(4) 0.032(2) Uani 1 1 d . . . . .
H44 H 0.805141 0.204171 0.752888 0.038 Uiso 1 1 calc R U . . .
C48 C 0.1481(11) 0.6301(9) 0.7929(4) 0.030(2) Uani 1 1 d . . . . .
H48 H 0.185763 0.691730 0.821262 0.036 Uiso 1 1 calc R U . . .
C28 C 0.7467(10) 0.1508(8) 0.4586(4) 0.0263(19) Uani 1 1 d . . . . .
H28 H 0.800114 0.143850 0.429078 0.032 Uiso 1 1 calc R U . . .
C29 C 0.8116(10) 0.1573(8) 0.5084(4) 0.0250(19) Uani 1 1 d . . . . .
C43 C 0.5438(17) -0.1335(10) 0.7491(4) 0.046(3) Uani 1 1 d . . . . .
H43 H 0.479483 -0.222488 0.746136 0.055 Uiso 1 1 calc R U . . .
C12 C 0.9789(11) 0.1600(9) 0.9321(4) 0.036(2) Uani 1 1 d . . . . .
H12 H 1.070572 0.150478 0.926727 0.043 Uiso 1 1 calc R U . . .
C45 C 0.7857(14) 0.0187(13) 0.7497(4) 0.041(3) Uani 1 1 d . . . . .
H45 H 0.889435 0.037643 0.748175 0.049 Uiso 1 1 calc R U . . .
C30 C 0.9552(11) 0.1493(8) 0.5172(4) 0.031(2) Uani 1 1 d . . . . .
H30 H 1.007684 0.140121 0.487760 0.038 Uiso 1 1 calc R U . . .
C37 C 0.7647(11) 0.4981(9) 0.5617(4) 0.032(2) Uani 1 1 d . . . . .
H37A H 0.738281 0.574260 0.554195 0.039 Uiso 1 1 calc R U . . .
H37B H 0.724704 0.434077 0.532119 0.039 Uiso 1 1 calc R U . . .
C9 C 0.7300(10) 0.1437(8) 1.0399(4) 0.0259(19) Uani 1 1 d . . . . .
H9 H 0.786737 0.129143 1.068841 0.031 Uiso 1 1 calc R U . . .
C13 C 0.8987(11) 0.1858(10) 0.8897(4) 0.034(2) Uani 1 1 d . . . . .
H13 H 0.938112 0.195879 0.855685 0.040 Uiso 1 1 calc R U . . .
C7 C 0.5346(11) 0.1361(8) 1.0998(4) 0.028(2) Uani 1 1 d . . . . .
H7 H 0.592521 0.122805 1.128645 0.034 Uiso 1 1 calc R U . . .
C25 C 0.4011(12) 0.1448(9) 0.3909(4) 0.035(2) Uani 1 1 d . . . . .
H25 H 0.356851 0.136465 0.356265 0.042 Uiso 1 1 calc R U . . .
C31 C 1.0176(11) 0.1545(9) 0.5659(4) 0.034(2) Uani 1 1 d . . . . .
H31 H 1.112695 0.148902 0.570407 0.041 Uiso 1 1 calc R U . . .
C5 C 0.3113(11) 0.1579(8) 1.0655(4) 0.0278(19) Uani 1 1 d . . . . .
H5 H 0.215778 0.158636 1.071740 0.033 Uiso 1 1 calc R U . . .
C6 C 0.4006(12) 0.1417(8) 1.1082(4) 0.031(2) Uani 1 1 d . . . . .
H6 H 0.366183 0.134610 1.142856 0.037 Uiso 1 1 calc R U . . .
C24 C 0.3196(10) 0.1562(9) 0.4346(4) 0.0281(19) Uani 1 1 d . . . . .
H24 H 0.222328 0.156443 0.428651 0.034 Uiso 1 1 calc R U . . .
C38 C 0.9282(11) 0.5384(10) 0.5681(4) 0.038(2) Uani 1 1 d . . . . .
H38A H 0.972741 0.568393 0.534424 0.056 Uiso 1 1 calc R U . . .
H38B H 0.952396 0.464353 0.579552 0.056 Uiso 1 1 calc R U . . .
H38C H 0.967699 0.609077 0.594640 0.056 Uiso 1 1 calc R U . . .
C18 C 0.7545(12) 0.5276(11) 0.8829(4) 0.040(2) Uani 1 1 d . . . . .
H18A H 0.736456 0.601488 0.866804 0.048 Uiso 1 1 calc R U . . .
H18B H 0.762598 0.469962 0.854284 0.048 Uiso 1 1 calc R U . . .
C36 C 0.2692(12) 0.4914(10) 0.5939(5) 0.045(3) Uani 1 1 d . . . . .
H36A H 0.201319 0.449389 0.563702 0.068 Uiso 1 1 calc R U . . .
H36B H 0.259214 0.573496 0.603024 0.068 Uiso 1 1 calc R U . . .
H36C H 0.244264 0.434043 0.624102 0.068 Uiso 1 1 calc R U . . .
C35 C 0.4253(11) 0.5176(9) 0.5803(5) 0.037(2) Uani 1 1 d . . . . .
H35A H 0.448621 0.570179 0.548237 0.045 Uiso 1 1 calc R U . . .
H35B H 0.494963 0.567274 0.609444 0.045 Uiso 1 1 calc R U . . .
C16 C 0.3655(11) 0.5120(8) 0.9402(4) 0.032(2) Uani 1 1 d . . . . .
H16A H 0.417717 0.569818 0.911954 0.038 Uiso 1 1 calc R U . . .
H16B H 0.417110 0.549535 0.974438 0.038 Uiso 1 1 calc R U . . .
C19 C 0.8904(13) 0.5745(12) 0.9161(6) 0.056(3) Uani 1 1 d . . . . .
H19A H 0.975192 0.618866 0.894476 0.084 Uiso 1 1 calc R U . . .
H19B H 0.904326 0.501040 0.933251 0.084 Uiso 1 1 calc R U . . .
H19C H 0.883456 0.635494 0.942945 0.084 Uiso 1 1 calc R U . . .
C17 C 0.2094(13) 0.5007(11) 0.9398(6) 0.054(3) Uani 1 1 d . . . . .
H17A H 0.167632 0.488556 0.903468 0.081 Uiso 1 1 calc R U . . .
H17B H 0.204842 0.580145 0.955297 0.081 Uiso 1 1 calc R U . . .
H17C H 0.151763 0.426031 0.960471 0.081 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O7 2.227(6) . ?
Dy1 O8 2.243(6) . ?
Dy1 O4 2.310(6) . ?
Dy1 O1 2.333(6) . ?
Dy1 N1 2.462(7) . ?
Dy1 N2 2.474(7) . ?
Dy1 O9 2.507(5) . ?
Dy1 O10 2.557(5) . ?
Dy1 N5 2.933(7) . ?
Se1 C39 1.797(9) . ?
Se2 C40 1.787(10) . ?
P2 O4 1.467(6) . ?
P2 O5 1.574(6) . ?
P2 O6 1.585(6) . ?
P2 C20 1.798(8) . ?
P1 O1 1.473(6) . ?
P1 O2 1.562(6) . ?
P1 O3 1.579(7) . ?
P1 C1 1.801(8) . ?
O9 N5 1.275(8) . ?
O10 N5 1.254(9) . ?
O6 C37 1.467(11) . ?
O8 C46 1.264(9) . ?
O7 C41 1.275(10) . ?
O2 C16 1.469(10) . ?
O3 C18 1.439(12) . ?
N5 O11 1.249(9) . ?
O5 C35 1.465(10) . ?
N3 C49 1.330(12) . ?
N3 C48 1.360(13) . ?
N3 H3 0.8800 . ?
C20 C21 1.523(11) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C40 N2 1.144(12) . ?
C3 C2 1.418(12) . ?
C3 C8 1.420(13) . ?
C3 C4 1.451(12) . ?
C34 C33 1.418(13) . ?
C34 C21 1.419(12) . ?
C34 C29 1.447(12) . ?
C41 C44 1.412(13) . ?
C41 C42 1.432(13) . ?
N4 C45 1.307(17) . ?
N4 C43 1.348(18) . ?
N4 H4 0.8800 . ?
C21 C22 1.392(12) . ?
N1 C39 1.141(11) . ?
C46 C50 1.424(12) . ?
C46 C47 1.427(13) . ?
C15 C2 1.425(11) . ?
C15 C14 1.431(12) . ?
C15 C10 1.438(12) . ?
C42 C43 1.354(14) . ?
C42 H42 0.9500 . ?
C4 C5 1.342(12) . ?
C4 H4A 0.9500 . ?
C2 C1 1.497(12) . ?
C22 C27 1.438(11) . ?
C22 C23 1.447(12) . ?
C33 C32 1.359(13) . ?
C33 H33 0.9500 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C49 C50 1.365(11) . ?
C49 H49 0.9500 . ?
C32 C31 1.428(14) . ?
C32 H32 0.9500 . ?
C47 C48 1.347(12) . ?
C47 H47 0.9500 . ?
C27 C28 1.397(13) . ?
C27 C26 1.442(14) . ?
C14 C13 1.357(13) . ?
C14 H14 0.9500 . ?
C50 H50 0.9500 . ?
C26 C25 1.332(15) . ?
C26 H26 0.9500 . ?
C11 C12 1.358(15) . ?
C11 C10 1.429(12) . ?
C11 H11 0.9500 . ?
C23 C24 1.339(13) . ?
C23 H23 0.9500 . ?
C8 C9 1.415(13) . ?
C8 C7 1.422(13) . ?
C10 C9 1.386(13) . ?
C44 C45 1.350(13) . ?
C44 H44 0.9500 . ?
C48 H48 0.9500 . ?
C28 C29 1.377(14) . ?
C28 H28 0.9500 . ?
C29 C30 1.438(13) . ?
C43 H43 0.9500 . ?
C12 C13 1.398(15) . ?
C12 H12 0.9500 . ?
C45 H45 0.9500 . ?
C30 C31 1.343(15) . ?
C30 H30 0.9500 . ?
C37 C38 1.478(14) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C9 H9 0.9500 . ?
C13 H13 0.9500 . ?
C7 C6 1.350(14) . ?
C7 H7 0.9500 . ?
C25 C24 1.424(14) . ?
C25 H25 0.9500 . ?
C31 H31 0.9500 . ?
C5 C6 1.413(14) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C24 H24 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C18 C19 1.449(17) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C36 C35 1.489(14) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C16 C17 1.472(15) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O7 Dy1 O8 162.2(2) . . ?
O7 Dy1 O4 93.2(2) . . ?
O8 Dy1 O4 94.3(2) . . ?
O7 Dy1 O1 89.2(2) . . ?
O8 Dy1 O1 95.5(2) . . ?
O4 Dy1 O1 139.4(2) . . ?
O7 Dy1 N1 82.9(3) . . ?
O8 Dy1 N1 81.8(3) . . ?
O4 Dy1 N1 145.6(3) . . ?
O1 Dy1 N1 74.9(3) . . ?
O7 Dy1 N2 83.1(3) . . ?
O8 Dy1 N2 83.5(3) . . ?
O4 Dy1 N2 74.0(2) . . ?
O1 Dy1 N2 146.3(2) . . ?
N1 Dy1 N2 71.6(3) . . ?
O7 Dy1 O9 73.3(2) . . ?
O8 Dy1 O9 124.4(2) . . ?
O4 Dy1 O9 69.3(2) . . ?
O1 Dy1 O9 72.7(2) . . ?
N1 Dy1 O9 139.7(3) . . ?
N2 Dy1 O9 134.6(2) . . ?
O7 Dy1 O10 124.1(2) . . ?
O8 Dy1 O10 73.6(2) . . ?
O4 Dy1 O10 71.4(2) . . ?
O1 Dy1 O10 73.8(2) . . ?
N1 Dy1 O10 137.7(2) . . ?
N2 Dy1 O10 136.4(2) . . ?
O9 Dy1 O10 50.81(17) . . ?
O7 Dy1 N5 98.9(2) . . ?
O8 Dy1 N5 98.8(2) . . ?
O4 Dy1 N5 67.2(2) . . ?
O1 Dy1 N5 72.3(2) . . ?
N1 Dy1 N5 147.2(2) . . ?
N2 Dy1 N5 141.2(2) . . ?
O9 Dy1 N5 25.60(17) . . ?
O10 Dy1 N5 25.24(17) . . ?
O4 P2 O5 114.1(4) . . ?
O4 P2 O6 108.7(4) . . ?
O5 P2 O6 107.0(3) . . ?
O4 P2 C20 112.6(4) . . ?
O5 P2 C20 104.2(4) . . ?
O6 P2 C20 110.1(4) . . ?
O1 P1 O2 114.9(4) . . ?
O1 P1 O3 112.6(4) . . ?
O2 P1 O3 103.3(4) . . ?
O1 P1 C1 113.8(4) . . ?
O2 P1 C1 103.0(4) . . ?
O3 P1 C1 108.3(4) . . ?
N5 O9 Dy1 96.2(4) . . ?
N5 O10 Dy1 94.4(4) . . ?
P1 O1 Dy1 150.0(4) . . ?
C37 O6 P2 121.5(6) . . ?
P2 O4 Dy1 162.7(4) . . ?
C46 O8 Dy1 144.7(6) . . ?
C41 O7 Dy1 157.5(6) . . ?
C16 O2 P1 120.7(6) . . ?
C18 O3 P1 124.1(7) . . ?
O11 N5 O10 121.9(6) . . ?
O11 N5 O9 119.6(6) . . ?
O10 N5 O9 118.5(6) . . ?
O11 N5 Dy1 175.9(5) . . ?
O10 N5 Dy1 60.4(4) . . ?
O9 N5 Dy1 58.2(4) . . ?
C35 O5 P2 118.1(6) . . ?
C49 N3 C48 121.4(7) . . ?
C49 N3 H3 119.3 . . ?
C48 N3 H3 119.3 . . ?
C21 C20 P2 115.8(6) . . ?
C21 C20 H20A 108.3 . . ?
P2 C20 H20A 108.3 . . ?
C21 C20 H20B 108.3 . . ?
P2 C20 H20B 108.3 . . ?
H20A C20 H20B 107.4 . . ?
N2 C40 Se2 179.0(8) . . ?
C2 C3 C8 120.3(8) . . ?
C2 C3 C4 122.9(8) . . ?
C8 C3 C4 116.8(8) . . ?
C33 C34 C21 124.2(8) . . ?
C33 C34 C29 117.6(8) . . ?
C21 C34 C29 118.2(8) . . ?
O7 C41 C44 122.4(8) . . ?
O7 C41 C42 120.5(9) . . ?
C44 C41 C42 117.1(8) . . ?
C45 N4 C43 121.7(9) . . ?
C45 N4 H4 119.1 . . ?
C43 N4 H4 119.1 . . ?
C22 C21 C34 121.2(8) . . ?
C22 C21 C20 120.2(8) . . ?
C34 C21 C20 118.6(8) . . ?
C39 N1 Dy1 163.8(7) . . ?
O8 C46 C50 121.4(8) . . ?
O8 C46 C47 122.8(8) . . ?
C50 C46 C47 115.9(7) . . ?
N1 C39 Se1 179.3(9) . . ?
C2 C15 C14 123.0(8) . . ?
C2 C15 C10 119.7(7) . . ?
C14 C15 C10 117.2(8) . . ?
C43 C42 C41 117.4(10) . . ?
C43 C42 H42 121.3 . . ?
C41 C42 H42 121.3 . . ?
C40 N2 Dy1 155.2(7) . . ?
C5 C4 C3 121.2(9) . . ?
C5 C4 H4A 119.4 . . ?
C3 C4 H4A 119.4 . . ?
C3 C2 C15 119.3(8) . . ?
C3 C2 C1 120.3(7) . . ?
C15 C2 C1 120.5(7) . . ?
C21 C22 C27 119.7(8) . . ?
C21 C22 C23 123.6(7) . . ?
C27 C22 C23 116.6(8) . . ?
C32 C33 C34 122.3(9) . . ?
C32 C33 H33 118.9 . . ?
C34 C33 H33 118.9 . . ?
C2 C1 P1 116.3(6) . . ?
C2 C1 H1A 108.2 . . ?
P1 C1 H1A 108.2 . . ?
C2 C1 H1B 108.2 . . ?
P1 C1 H1B 108.2 . . ?
H1A C1 H1B 107.4 . . ?
N3 C49 C50 120.7(8) . . ?
N3 C49 H49 119.6 . . ?
C50 C49 H49 119.6 . . ?
C33 C32 C31 120.2(9) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C48 C47 C46 120.5(9) . . ?
C48 C47 H47 119.7 . . ?
C46 C47 H47 119.7 . . ?
C28 C27 C22 118.8(8) . . ?
C28 C27 C26 121.4(8) . . ?
C22 C27 C26 119.8(9) . . ?
C13 C14 C15 121.2(9) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C49 C50 C46 120.6(8) . . ?
C49 C50 H50 119.7 . . ?
C46 C50 H50 119.7 . . ?
C25 C26 C27 120.1(9) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C12 C11 C10 121.1(9) . . ?
C12 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
C24 C23 C22 121.3(8) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C9 C8 C7 120.4(8) . . ?
C9 C8 C3 119.6(8) . . ?
C7 C8 C3 120.0(8) . . ?
C9 C10 C11 121.2(8) . . ?
C9 C10 C15 119.8(8) . . ?
C11 C10 C15 119.0(8) . . ?
C45 C44 C41 120.6(11) . . ?
C45 C44 H44 119.7 . . ?
C41 C44 H44 119.7 . . ?
C47 C48 N3 120.9(9) . . ?
C47 C48 H48 119.6 . . ?
N3 C48 H48 119.6 . . ?
C29 C28 C27 122.2(8) . . ?
C29 C28 H28 118.9 . . ?
C27 C28 H28 118.9 . . ?
C28 C29 C30 122.2(8) . . ?
C28 C29 C34 119.7(8) . . ?
C30 C29 C34 118.0(9) . . ?
N4 C43 C42 122.3(11) . . ?
N4 C43 H43 118.9 . . ?
C42 C43 H43 118.9 . . ?
C11 C12 C13 120.0(9) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
N4 C45 C44 120.6(11) . . ?
N4 C45 H45 119.7 . . ?
C44 C45 H45 119.7 . . ?
C31 C30 C29 122.1(9) . . ?
C31 C30 H30 119.0 . . ?
C29 C30 H30 119.0 . . ?
O6 C37 C38 107.1(8) . . ?
O6 C37 H37A 110.3 . . ?
C38 C37 H37A 110.3 . . ?
O6 C37 H37B 110.3 . . ?
C38 C37 H37B 110.3 . . ?
H37A C37 H37B 108.6 . . ?
C10 C9 C8 121.1(8) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C14 C13 C12 121.4(9) . . ?
C14 C13 H13 119.3 . . ?
C12 C13 H13 119.3 . . ?
C6 C7 C8 120.6(9) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C26 C25 C24 121.1(9) . . ?
C26 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C30 C31 C32 119.8(9) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C4 C5 C6 120.9(9) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 120.4(8) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C23 C24 C25 121.1(9) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O3 C18 C19 107.7(9) . . ?
O3 C18 H18A 110.2 . . ?
C19 C18 H18A 110.2 . . ?
O3 C18 H18B 110.2 . . ?
C19 C18 H18B 110.2 . . ?
H18A C18 H18B 108.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O5 C35 C36 109.4(8) . . ?
O5 C35 H35A 109.8 . . ?
C36 C35 H35A 109.8 . . ?
O5 C35 H35B 109.8 . . ?
C36 C35 H35B 109.8 . . ?
H35A C35 H35B 108.2 . . ?
O2 C16 C17 108.3(8) . . ?
O2 C16 H16A 110.0 . . ?
C17 C16 H16A 110.0 . . ?
O2 C16 H16B 110.0 . . ?
C17 C16 H16B 110.0 . . ?
H16A C16 H16B 108.4 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 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
O2 P1 O1 Dy1 -122.7(7) . . . . ?
O3 P1 O1 Dy1 119.4(7) . . . . ?
C1 P1 O1 Dy1 -4.3(9) . . . . ?
O4 P2 O6 C37 -153.7(6) . . . . ?
O5 P2 O6 C37 -30.1(7) . . . . ?
C20 P2 O6 C37 82.6(7) . . . . ?
O5 P2 O4 Dy1 117.2(14) . . . . ?
O6 P2 O4 Dy1 -123.5(14) . . . . ?
C20 P2 O4 Dy1 -1.3(16) . . . . ?
O1 P1 O2 C16 -67.5(8) . . . . ?
O3 P1 O2 C16 55.5(8) . . . . ?
C1 P1 O2 C16 168.1(7) . . . . ?
O1 P1 O3 C18 -18.9(9) . . . . ?
O2 P1 O3 C18 -143.5(8) . . . . ?
C1 P1 O3 C18 107.8(8) . . . . ?
Dy1 O10 N5 O11 176.1(7) . . . . ?
Dy1 O10 N5 O9 -3.7(7) . . . . ?
Dy1 O9 N5 O11 -176.0(7) . . . . ?
Dy1 O9 N5 O10 3.8(7) . . . . ?
O4 P2 O5 C35 48.4(7) . . . . ?
O6 P2 O5 C35 -71.9(7) . . . . ?
C20 P2 O5 C35 171.5(6) . . . . ?
O4 P2 C20 C21 -162.7(6) . . . . ?
O5 P2 C20 C21 73.1(7) . . . . ?
O6 P2 C20 C21 -41.3(7) . . . . ?
Dy1 O7 C41 C44 123.0(15) . . . . ?
Dy1 O7 C41 C42 -55(2) . . . . ?
C33 C34 C21 C22 -179.7(8) . . . . ?
C29 C34 C21 C22 -1.2(11) . . . . ?
C33 C34 C21 C20 0.2(12) . . . . ?
C29 C34 C21 C20 178.7(7) . . . . ?
P2 C20 C21 C22 -89.5(8) . . . . ?
P2 C20 C21 C34 90.7(8) . . . . ?
Dy1 O8 C46 C50 157.8(7) . . . . ?
Dy1 O8 C46 C47 -21.4(15) . . . . ?
O7 C41 C42 C43 -177.1(9) . . . . ?
C44 C41 C42 C43 5.1(13) . . . . ?
C2 C3 C4 C5 179.2(8) . . . . ?
C8 C3 C4 C5 0.9(12) . . . . ?
C8 C3 C2 C15 -2.5(11) . . . . ?
C4 C3 C2 C15 179.2(7) . . . . ?
C8 C3 C2 C1 176.5(7) . . . . ?
C4 C3 C2 C1 -1.7(12) . . . . ?
C14 C15 C2 C3 -178.6(8) . . . . ?
C10 C15 C2 C3 3.9(11) . . . . ?
C14 C15 C2 C1 2.3(12) . . . . ?
C10 C15 C2 C1 -175.1(7) . . . . ?
C34 C21 C22 C27 0.2(11) . . . . ?
C20 C21 C22 C27 -179.7(7) . . . . ?
C34 C21 C22 C23 179.3(7) . . . . ?
C20 C21 C22 C23 -0.5(12) . . . . ?
C21 C34 C33 C32 176.4(8) . . . . ?
C29 C34 C33 C32 -2.1(12) . . . . ?
C3 C2 C1 P1 87.4(8) . . . . ?
C15 C2 C1 P1 -93.5(8) . . . . ?
O1 P1 C1 C2 151.2(6) . . . . ?
O2 P1 C1 C2 -83.8(7) . . . . ?
O3 P1 C1 C2 25.2(7) . . . . ?
C48 N3 C49 C50 -0.1(13) . . . . ?
C34 C33 C32 C31 2.1(13) . . . . ?
O8 C46 C47 C48 179.7(9) . . . . ?
C50 C46 C47 C48 0.4(13) . . . . ?
C21 C22 C27 C28 0.2(11) . . . . ?
C23 C22 C27 C28 -179.0(7) . . . . ?
C21 C22 C27 C26 179.9(7) . . . . ?
C23 C22 C27 C26 0.7(11) . . . . ?
C2 C15 C14 C13 -175.4(8) . . . . ?
C10 C15 C14 C13 2.1(12) . . . . ?
N3 C49 C50 C46 0.4(13) . . . . ?
O8 C46 C50 C49 -179.8(8) . . . . ?
C47 C46 C50 C49 -0.5(12) . . . . ?
C28 C27 C26 C25 177.8(8) . . . . ?
C22 C27 C26 C25 -1.9(13) . . . . ?
C21 C22 C23 C24 -178.7(8) . . . . ?
C27 C22 C23 C24 0.4(12) . . . . ?
C2 C3 C8 C9 0.1(11) . . . . ?
C4 C3 C8 C9 178.5(7) . . . . ?
C2 C3 C8 C7 -179.6(7) . . . . ?
C4 C3 C8 C7 -1.3(11) . . . . ?
C12 C11 C10 C9 178.5(9) . . . . ?
C12 C11 C10 C15 -0.5(13) . . . . ?
C2 C15 C10 C9 -3.0(12) . . . . ?
C14 C15 C10 C9 179.4(8) . . . . ?
C2 C15 C10 C11 176.0(7) . . . . ?
C14 C15 C10 C11 -1.6(11) . . . . ?
O7 C41 C44 C45 175.5(9) . . . . ?
C42 C41 C44 C45 -6.8(13) . . . . ?
C46 C47 C48 N3 -0.2(14) . . . . ?
C49 N3 C48 C47 0.0(14) . . . . ?
C22 C27 C28 C29 0.5(12) . . . . ?
C26 C27 C28 C29 -179.2(8) . . . . ?
C27 C28 C29 C30 177.8(8) . . . . ?
C27 C28 C29 C34 -1.5(12) . . . . ?
C33 C34 C29 C28 -179.6(7) . . . . ?
C21 C34 C29 C28 1.8(11) . . . . ?
C33 C34 C29 C30 1.1(11) . . . . ?
C21 C34 C29 C30 -177.5(7) . . . . ?
C45 N4 C43 C42 -2.7(16) . . . . ?
C41 C42 C43 N4 -0.6(15) . . . . ?
C10 C11 C12 C13 2.1(14) . . . . ?
C43 N4 C45 C44 1.1(15) . . . . ?
C41 C44 C45 N4 3.7(14) . . . . ?
C28 C29 C30 C31 -179.4(8) . . . . ?
C34 C29 C30 C31 0.0(13) . . . . ?
P2 O6 C37 C38 -161.2(7) . . . . ?
C11 C10 C9 C8 -178.4(8) . . . . ?
C15 C10 C9 C8 0.6(12) . . . . ?
C7 C8 C9 C10 -179.4(8) . . . . ?
C3 C8 C9 C10 0.8(12) . . . . ?
C15 C14 C13 C12 -0.5(14) . . . . ?
C11 C12 C13 C14 -1.6(15) . . . . ?
C9 C8 C7 C6 -179.8(8) . . . . ?
C3 C8 C7 C6 0.0(12) . . . . ?
C27 C26 C25 C24 1.9(14) . . . . ?
C29 C30 C31 C32 0.0(14) . . . . ?
C33 C32 C31 C30 -1.0(14) . . . . ?
C3 C4 C5 C6 0.8(13) . . . . ?
C8 C7 C6 C5 1.7(13) . . . . ?
C4 C5 C6 C7 -2.1(13) . . . . ?
C22 C23 C24 C25 -0.5(13) . . . . ?
C26 C25 C24 C23 -0.8(14) . . . . ?
P1 O3 C18 C19 -162.8(8) . . . . ?
P2 O5 C35 C36 -106.4(9) . . . . ?
P1 O2 C16 C17 136.7(8) . . . . ?

_refine_diff_density_max         1.550
_refine_diff_density_min         -1.761
_refine_diff_density_rms         0.196

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
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# Crystallographic Data Centre (CCDC).
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# 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_y_a_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2421526'
loop_
_audit_author_name
_audit_author_address
b
;Nanjing University
China
;
_audit_update_record             
;
2025-02-05 deposited with the CCDC.	2025-04-21 downloaded from the CCDC.
;
_audit_creation_date             2024-05-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C50 H52 Dy N5 O11 P2 Se2'
_chemical_formula_sum            'C50 H52 Dy N5 O11 P2 Se2'
_chemical_formula_weight         1281.32
_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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   9.7539(12)
_cell_length_b                   25.787(3)
_cell_length_c                   11.2182(14)
_cell_angle_alpha                90
_cell_angle_beta                 111.587(4)
_cell_angle_gamma                90
_cell_volume                     2623.8(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5368
_cell_measurement_temperature    298.00
_cell_measurement_theta_max      26.112
_cell_measurement_theta_min      2.372
_shelx_estimated_absorpt_T_max   0.799
_shelx_estimated_absorpt_T_min   0.564
_exptl_absorpt_coefficient_mu    2.935
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6329
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1120 before and 0.0646 after correction.
The Ratio of minimum to maximum transmission is 0.8488.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0810
_diffrn_reflns_av_unetI/netI     0.0756
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            22763
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.564
_diffrn_reflns_theta_min         1.952
_diffrn_ambient_temperature      298.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3909
_reflns_number_total             6106
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.214
_refine_diff_density_min         -0.894
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6106
_refine_ls_number_restraints     368
_refine_ls_R_factor_all          0.1165
_refine_ls_R_factor_gt           0.0680
_refine_ls_restrained_S_all      1.073
_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)+(0.0850P)²+6.5300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1603
_refine_ls_wR_factor_ref         0.1927
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O3-C16 \\sim O2-C18
 with sigma of 0.01
 C18-C19 \\sim C16-C17
 with sigma of 0.01
3. Rigid bond restraints
 O10, N5, O10, O9, O11
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 P1, O1, O3, O2, C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14,
 C15, C16, C17, C18, C19
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.01
 O7, C21, C22, C23, C24, C25, N4
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O8, C26, C27, C28, C29, C30, N3
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
O10 \\sim N5 \\sim O10 \\sim O9 \\sim O11: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
P1 \\sim O1 \\sim O3 \\sim O2 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5
\\sim C6 \\sim C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13
\\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim C19: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
O7 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25 \\sim N4: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
O8 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim N3: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
5. Others
 Fixed Sof: C26(0.5) H26(0.5) C27(0.5) H27(0.5) C29(0.5) H29(0.5) C30(0.5)
 H30(0.5)
6.a Riding coordinates:
 C16(H16A,H16B), C26(H26), C27(H27), C29(H29), C30(H30), N3(H3), N4(H4A)
6.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C18(H18A,H18B)
6.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C21(H21), C22(H22), C24(H24), C25(H25)
6.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.40804(6) 0.250000 0.29281(5) 0.04785(19) Uani 1 2 d S T P . .
Se1 Se 0.02267(12) 0.16100(4) -0.12187(10) 0.0726(3) Uani 1 1 d . . . . .
P1 P 0.5035(3) 0.38918(9) 0.3432(2) 0.0661(6) Uani 1 1 d . U . . .
C1 C 0.4794(10) 0.4085(3) 0.1824(8) 0.0590(14) Uani 1 1 d . U . . .
H1A H 0.503395 0.379308 0.139134 0.071 Uiso 1 1 calc R U . . .
H1B H 0.376369 0.416896 0.136621 0.071 Uiso 1 1 calc R U . . .
C2 C 0.5726(10) 0.4548(3) 0.1741(8) 0.0582(13) Uani 1 1 d . U . . .
C3 C 0.7122(10) 0.4470(3) 0.1687(8) 0.0631(14) Uani 1 1 d . U . . .
C4 C 0.7814(11) 0.3976(4) 0.1763(9) 0.0732(17) Uani 1 1 d . U . . .
H4 H 0.732921 0.368226 0.188580 0.088 Uiso 1 1 calc R U . . .
C5 C 0.9113(12) 0.3920(5) 0.1665(9) 0.0813(19) Uani 1 1 d . U . . .
H5 H 0.951168 0.359030 0.169938 0.098 Uiso 1 1 calc R U . . .
C6 C 0.9894(12) 0.4352(5) 0.1510(10) 0.0847(19) Uani 1 1 d . U . . .
H6 H 1.080815 0.430584 0.144186 0.102 Uiso 1 1 calc R U . . .
C7 C 0.9353(12) 0.4826(4) 0.1459(9) 0.0800(18) Uani 1 1 d . U . . .
H7 H 0.990100 0.510744 0.136650 0.096 Uiso 1 1 calc R U . . .
C8 C 0.7952(11) 0.4914(4) 0.1544(8) 0.0694(15) Uani 1 1 d . U . . .
C9 C 0.7348(11) 0.5400(4) 0.1479(8) 0.0684(16) Uani 1 1 d . U . . .
H9 H 0.788519 0.568354 0.138036 0.082 Uiso 1 1 calc R U . . .
C10 C 0.6004(11) 0.5486(3) 0.1552(8) 0.0663(15) Uani 1 1 d . U . . .
C11 C 0.5375(13) 0.5993(4) 0.1483(9) 0.0760(18) Uani 1 1 d . U . . .
H11 H 0.591224 0.628061 0.140578 0.091 Uiso 1 1 calc R U . . .
C12 C 0.4064(13) 0.6062(4) 0.1527(9) 0.0824(19) Uani 1 1 d . U . . .
H12 H 0.370082 0.639780 0.149002 0.099 Uiso 1 1 calc R U . . .
C13 C 0.3193(12) 0.5644(4) 0.1629(9) 0.0774(18) Uani 1 1 d . U . . .
H13 H 0.225467 0.570475 0.163347 0.093 Uiso 1 1 calc R U . . .
C14 C 0.3710(11) 0.5155(4) 0.1721(8) 0.0673(16) Uani 1 1 d . U . . .
H14 H 0.313744 0.488273 0.182227 0.081 Uiso 1 1 calc R U . . .
C15 C 0.5104(10) 0.5048(3) 0.1665(8) 0.0591(14) Uani 1 1 d . U . . .
C16 C 0.7754(12) 0.3842(5) 0.5177(13) 0.120(3) Uani 1 1 d D U . . .
H16A H 0.796368 0.352817 0.479700 0.144 Uiso 1 1 d R U . . .
H16B H 0.748508 0.374207 0.589550 0.144 Uiso 1 1 d R U . . .
C17 C 0.9031(15) 0.4166(6) 0.5542(15) 0.139(4) Uani 1 1 d D U . . .
H17A H 0.876043 0.450269 0.516411 0.208 Uiso 1 1 calc R U . . .
H17B H 0.974938 0.401440 0.524873 0.208 Uiso 1 1 calc R U . . .
H17C H 0.944057 0.419794 0.645858 0.208 Uiso 1 1 calc R U . . .
C18 C 0.3814(15) 0.4235(6) 0.4979(11) 0.112(2) Uani 1 1 d D U . . .
H18A H 0.460562 0.443572 0.558486 0.134 Uiso 1 1 calc R U . . .
H18B H 0.391592 0.387884 0.527850 0.134 Uiso 1 1 calc R U . . .
C19 C 0.2442(16) 0.4434(6) 0.4931(13) 0.141(4) Uani 1 1 d D U . . .
H19A H 0.168348 0.418154 0.454556 0.212 Uiso 1 1 calc R U . . .
H19B H 0.221962 0.474588 0.443061 0.212 Uiso 1 1 calc R U . . .
H19C H 0.249336 0.450797 0.578497 0.212 Uiso 1 1 calc R U . . .
C20 C 0.1593(10) 0.1813(3) 0.0239(9) 0.058(2) Uani 1 1 d . . . . .
C21 C 0.565(2) 0.250000 -0.1384(15) 0.087(3) Uani 1 2 d S TU P . .
H21 H 0.503652 0.250000 -0.224560 0.105 Uiso 1 2 calc R U P . .
C22 C 0.508(2) 0.250000 -0.0453(14) 0.088(3) Uani 1 2 d S TU P . .
H22 H 0.406236 0.250000 -0.069028 0.105 Uiso 1 2 calc R U P . .
C23 C 0.5958(18) 0.250000 0.0854(14) 0.081(3) Uani 1 2 d S TU P . .
C24 C 0.7447(17) 0.250000 0.1084(16) 0.081(3) Uani 1 2 d S TU P . .
H24 H 0.811130 0.250000 0.192743 0.098 Uiso 1 2 calc R U P . .
C25 C 0.7979(19) 0.250000 0.0118(17) 0.084(3) Uani 1 2 d S TU P . .
H25 H 0.898762 0.250000 0.028954 0.101 Uiso 1 2 calc R U P . .
C26 C 0.018(3) 0.2222(10) 0.565(2) 0.103(4) Uani 0.5 1 d . U P . .
H26 H -0.058326 0.199979 0.571477 0.124 Uiso 0.5 1 d R U P . .
C27 C 0.066(3) 0.2172(9) 0.463(2) 0.094(3) Uani 0.5 1 d . U P . .
H27 H 0.021591 0.192620 0.395360 0.113 Uiso 0.5 1 d R U P . .
C28 C 0.1707(17) 0.250000 0.4460(15) 0.081(3) Uani 1 2 d S TU P . .
C29 C 0.225(3) 0.2124(10) 0.543(2) 0.095(4) Uani 0.5 1 d . U P . .
H29 H 0.288336 0.184637 0.536195 0.114 Uiso 0.5 1 d R U P . .
C30 C 0.166(3) 0.2066(11) 0.633(2) 0.103(4) Uani 0.5 1 d . U P . .
H30 H 0.193136 0.179516 0.695561 0.124 Uiso 0.5 1 d R U P . .
N1 N 0.2451(11) 0.1939(3) 0.1215(9) 0.089(3) Uani 1 1 d . . . . .
N3 N 0.0660(18) 0.250000 0.6399(17) 0.113(4) Uani 1 2 d S TU P . .
H3 H 0.052162 0.250000 0.714688 0.136 Uiso 1 2 d R U P . .
N4 N 0.7028(18) 0.250000 -0.1046(14) 0.088(3) Uani 1 2 d S TU P . .
H4A H 0.738965 0.250000 -0.171082 0.106 Uiso 1 2 d R U P . .
N5 N 0.6503(12) 0.250000 0.5495(9) 0.060(2) Uani 1 2 d S TU P . .
O1 O 0.4769(8) 0.3344(2) 0.3568(6) 0.0773(16) Uani 1 1 d . U . . .
O3 O 0.6527(9) 0.4091(3) 0.4307(8) 0.1071(19) Uani 1 1 d D U . . .
O2 O 0.3934(9) 0.4253(3) 0.3764(6) 0.0917(15) Uani 1 1 d D U . . .
O9 O 0.6727(10) 0.250000 0.4480(7) 0.065(2) Uani 1 2 d S TU P . .
O10 O 0.5166(9) 0.250000 0.5397(7) 0.0613(19) Uani 1 2 d S TU P . .
O11 O 0.7482(11) 0.250000 0.6538(8) 0.091(3) Uani 1 2 d S TU P . .
O7 O 0.5436(12) 0.250000 0.1726(10) 0.100(3) Uani 1 2 d S TU P . .
O8 O 0.2178(11) 0.250000 0.3581(9) 0.083(2) Uani 1 2 d S TU P . .


_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 N1 2.462(9) 4_565 ?
Dy1 N1 2.463(9) . ?
Dy1 O1 2.313(6) 4_565 ?
Dy1 O1 2.313(6) . ?
Dy1 O9 2.528(9) . ?
Dy1 O10 2.576(8) . ?
Dy1 O7 2.208(9) . ?
Dy1 O8 2.231(8) . ?
Se1 C20 1.767(9) . ?
P1 C1 1.802(8) . ?
P1 O1 1.454(6) . ?
P1 O3 1.515(8) . ?
P1 O2 1.566(8) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.523(11) . ?
C2 C3 1.399(12) . ?
C2 C15 1.415(12) . ?
C3 C4 1.430(13) . ?
C3 C8 1.445(12) . ?
C4 H4 0.9300 . ?
C4 C5 1.319(13) . ?
C5 H5 0.9300 . ?
C5 C6 1.395(14) . ?
C6 H6 0.9300 . ?
C6 C7 1.325(14) . ?
C7 H7 0.9300 . ?
C7 C8 1.422(14) . ?
C8 C9 1.375(13) . ?
C9 H9 0.9300 . ?
C9 C10 1.362(13) . ?
C10 C11 1.434(13) . ?
C10 C15 1.464(12) . ?
C11 H11 0.9300 . ?
C11 C12 1.310(15) . ?
C12 H12 0.9300 . ?
C12 C13 1.403(14) . ?
C13 H13 0.9300 . ?
C13 C14 1.349(12) . ?
C14 H14 0.9300 . ?
C14 C15 1.411(13) . ?
C16 H16A 0.9709 . ?
C16 H16B 0.9705 . ?
C16 C17 1.428(12) . ?
C16 O3 1.392(11) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.415(13) . ?
C18 O2 1.411(10) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 N1 1.153(11) . ?
C21 H21 0.9300 . ?
C21 C22 1.348(19) . ?
C21 N4 1.26(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.40(2) . ?
C23 C24 1.38(2) . ?
C23 O7 1.258(14) . ?
C24 H24 0.9300 . ?
C24 C25 1.363(18) . ?
C25 H25 0.9300 . ?
C25 N4 1.29(2) . ?
C26 C26 1.43(5) 4_565 ?
C26 H26 0.9666 . ?
C26 C27 1.39(3) . ?
C26 N3 1.08(3) . ?
C27 C27 1.69(5) 4_565 ?
C27 H27 0.9608 . ?
C27 C28 1.39(2) . ?
C28 C29 1.41(3) . ?
C28 C29 1.41(3) 4_565 ?
C28 O8 1.232(14) . ?
C29 C29 1.94(5) 4_565 ?
C29 H29 0.9649 . ?
C29 C30 1.34(3) . ?
C30 H30 0.9599 . ?
C30 N3 1.51(3) . ?
N3 H3 0.8971 . ?
N4 H4A 0.9353 . ?
N5 O9 1.236(11) . ?
N5 O10 1.267(12) . ?
N5 O11 1.208(13) . ?

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
N1 Dy1 N1 71.9(4) 4_565 . ?
N1 Dy1 O9 137.7(2) . . ?
N1 Dy1 O9 137.7(2) 4_565 . ?
N1 Dy1 O10 137.0(2) . . ?
N1 Dy1 O10 137.0(2) 4_565 . ?
O1 Dy1 N1 73.7(3) . 4_565 ?
O1 Dy1 N1 145.6(3) . . ?
O1 Dy1 N1 73.7(3) 4_565 . ?
O1 Dy1 N1 145.6(3) 4_565 4_565 ?
O1 Dy1 O1 140.5(3) 4_565 . ?
O1 Dy1 O9 71.33(17) 4_565 . ?
O1 Dy1 O9 71.33(17) . . ?
O1 Dy1 O10 73.07(16) . . ?
O1 Dy1 O10 73.07(16) 4_565 . ?
O9 Dy1 O10 49.3(2) . . ?
O7 Dy1 N1 83.3(3) . 4_565 ?
O7 Dy1 N1 83.3(3) . . ?
O7 Dy1 O1 91.1(2) . 4_565 ?
O7 Dy1 O1 91.1(2) . . ?
O7 Dy1 O9 74.4(3) . . ?
O7 Dy1 O10 123.7(3) . . ?
O7 Dy1 O8 163.2(4) . . ?
O8 Dy1 N1 83.1(3) . 4_565 ?
O8 Dy1 N1 83.1(3) . . ?
O8 Dy1 O1 94.6(2) . 4_565 ?
O8 Dy1 O1 94.6(2) . . ?
O8 Dy1 O9 122.4(3) . . ?
O8 Dy1 O10 73.1(3) . . ?
O1 P1 C1 114.3(4) . . ?
O1 P1 O3 115.3(4) . . ?
O1 P1 O2 112.9(4) . . ?
O3 P1 C1 107.2(4) . . ?
O3 P1 O2 102.9(5) . . ?
O2 P1 C1 103.0(4) . . ?
P1 C1 H1A 108.6 . . ?
P1 C1 H1B 108.6 . . ?
H1A C1 H1B 107.6 . . ?
C2 C1 P1 114.6(6) . . ?
C2 C1 H1A 108.6 . . ?
C2 C1 H1B 108.6 . . ?
C3 C2 C1 120.1(8) . . ?
C3 C2 C15 122.0(8) . . ?
C15 C2 C1 117.8(8) . . ?
C2 C3 C4 124.8(8) . . ?
C2 C3 C8 119.0(9) . . ?
C4 C3 C8 116.1(9) . . ?
C3 C4 H4 118.7 . . ?
C5 C4 C3 122.6(10) . . ?
C5 C4 H4 118.7 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.5(11) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 119.5 . . ?
C7 C6 C5 121.0(11) . . ?
C7 C6 H6 119.5 . . ?
C6 C7 H7 119.3 . . ?
C6 C7 C8 121.5(10) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 C3 118.2(10) . . ?
C9 C8 C3 118.7(9) . . ?
C9 C8 C7 123.0(9) . . ?
C8 C9 H9 118.3 . . ?
C10 C9 C8 123.3(9) . . ?
C10 C9 H9 118.3 . . ?
C9 C10 C11 123.3(9) . . ?
C9 C10 C15 120.0(9) . . ?
C11 C10 C15 116.7(9) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 C10 121.8(10) . . ?
C12 C11 H11 119.1 . . ?
C11 C12 H12 119.1 . . ?
C11 C12 C13 121.8(10) . . ?
C13 C12 H12 119.1 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.3(11) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 119.4 . . ?
C13 C14 C15 121.2(9) . . ?
C15 C14 H14 119.4 . . ?
C2 C15 C10 116.9(8) . . ?
C14 C15 C2 125.0(8) . . ?
C14 C15 C10 118.1(8) . . ?
H16A C16 H16B 107.9 . . ?
C17 C16 H16A 108.2 . . ?
C17 C16 H16B 113.0 . . ?
O3 C16 H16A 110.0 . . ?
O3 C16 H16B 106.2 . . ?
O3 C16 C17 111.5(11) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
H18A C18 H18B 108.0 . . ?
C19 C18 H18A 109.3 . . ?
C19 C18 H18B 109.3 . . ?
O2 C18 H18A 109.3 . . ?
O2 C18 H18B 109.3 . . ?
O2 C18 C19 111.4(11) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N1 C20 Se1 177.3(10) . . ?
C22 C21 H21 121.2 . . ?
N4 C21 H21 121.2 . . ?
N4 C21 C22 117.6(17) . . ?
C21 C22 H22 118.5 . . ?
C21 C22 C23 123.1(17) . . ?
C23 C22 H22 118.5 . . ?
C24 C23 C22 113.0(13) . . ?
O7 C23 C22 123.3(15) . . ?
O7 C23 C24 123.7(15) . . ?
C23 C24 H24 118.8 . . ?
C25 C24 C23 122.4(16) . . ?
C25 C24 H24 118.8 . . ?
C24 C25 H25 121.3 . . ?
N4 C25 C24 117.4(16) . . ?
N4 C25 H25 121.3 . . ?
C26 C26 H26 126.4 4_565 . ?
C27 C26 C26 95.3(15) . 4_565 ?
C27 C26 H26 121.0 . . ?
N3 C26 C26 48.2(16) . 4_565 ?
N3 C26 H26 117.1 . . ?
N3 C26 C27 122(3) . . ?
C26 C27 C27 84.7(15) . 4_565 ?
C26 C27 H27 120.9 . . ?
C27 C27 H27 131.3 4_565 . ?
C28 C27 C26 123(2) . . ?
C28 C27 C27 52.5(10) . 4_565 ?
C28 C27 H27 116.0 . . ?
C27 C28 C27 75(2) . 4_565 ?
C27 C28 C29 113.7(16) 4_565 . ?
C27 C28 C29 113.7(16) . 4_565 ?
C27 C28 C29 64.0(13) 4_565 4_565 ?
C27 C28 C29 64.0(13) . . ?
C29 C28 C29 87(2) 4_565 . ?
O8 C28 C27 128.1(14) . 4_565 ?
O8 C28 C27 128.1(14) . . ?
O8 C28 C29 118.2(13) . 4_565 ?
O8 C28 C29 118.2(13) . . ?
C28 C29 C29 46.4(11) . 4_565 ?
C28 C29 H29 121.4 . . ?
C29 C29 H29 137.8 4_565 . ?
C30 C29 C28 121(2) . . ?
C30 C29 C29 96.4(17) . 4_565 ?
C30 C29 H29 116.1 . . ?
C29 C30 H30 123.7 . . ?
C29 C30 N3 115(2) . . ?
N3 C30 H30 120.6 . . ?
C20 N1 Dy1 160.2(8) . . ?
C26 N3 C26 84(3) 4_565 . ?
C26 N3 C30 64.1(17) . . ?
C26 N3 C30 64.1(17) 4_565 4_565 ?
C26 N3 C30 124(2) . 4_565 ?
C26 N3 C30 124(2) 4_565 . ?
C26 N3 H3 124.4 . . ?
C26 N3 H3 124.4 4_565 . ?
C30 N3 C30 96(2) . 4_565 ?
C30 N3 H3 112.0 4_565 . ?
C30 N3 H3 112.0 . . ?
C21 N4 C25 126.5(15) . . ?
C21 N4 H4A 115.8 . . ?
C25 N4 H4A 117.6 . . ?
O9 N5 O10 116.5(10) . . ?
O11 N5 O9 123.2(11) . . ?
O11 N5 O10 120.3(9) . . ?
P1 O1 Dy1 157.5(4) . . ?
C16 O3 P1 132.2(8) . . ?
C18 O2 P1 121.2(7) . . ?
N5 O9 Dy1 98.8(7) . . ?
N5 O10 Dy1 95.5(6) . . ?
C23 O7 Dy1 168.3(11) . . ?
C28 O8 Dy1 149.6(11) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C26 H26 O11 0.97 2.71 3.22(3) 113.6 1_455 yes
N3 H3 Se1 0.90 3.02 3.663(13) 130.5 1_556 yes
N3 H3 Se1 0.90 3.02 3.663(13) 130.5 4_566 yes
N4 H4A O11 0.94 2.00 2.903(15) 161.9 1_554 yes

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
P1 C1 C2 C3 91.7(9) . . . . ?
P1 C1 C2 C15 -91.0(8) . . . . ?
C1 P1 O1 Dy1 -5.9(14) . . . . ?
C1 P1 O3 C16 -123.7(13) . . . . ?
C1 P1 O2 C18 -178.1(10) . . . . ?
C1 C2 C3 C4 -3.0(13) . . . . ?
C1 C2 C3 C8 176.9(7) . . . . ?
C1 C2 C15 C10 -178.4(7) . . . . ?
C1 C2 C15 C14 3.2(12) . . . . ?
C2 C3 C4 C5 177.7(9) . . . . ?
C2 C3 C8 C7 -178.5(8) . . . . ?
C2 C3 C8 C9 0.7(13) . . . . ?
C3 C2 C15 C10 -1.2(12) . . . . ?
C3 C2 C15 C14 -179.6(8) . . . . ?
C3 C4 C5 C6 1.5(15) . . . . ?
C3 C8 C9 C10 0.5(14) . . . . ?
C4 C3 C8 C7 1.5(12) . . . . ?
C4 C3 C8 C9 -179.4(8) . . . . ?
C4 C5 C6 C7 0.1(16) . . . . ?
C5 C6 C7 C8 -0.8(16) . . . . ?
C6 C7 C8 C3 0.0(15) . . . . ?
C6 C7 C8 C9 -179.2(9) . . . . ?
C7 C8 C9 C10 179.6(9) . . . . ?
C8 C3 C4 C5 -2.2(14) . . . . ?
C8 C9 C10 C11 -180.0(9) . . . . ?
C8 C9 C10 C15 -2.0(13) . . . . ?
C9 C10 C11 C12 178.4(9) . . . . ?
C9 C10 C15 C2 2.3(12) . . . . ?
C9 C10 C15 C14 -179.2(8) . . . . ?
C10 C11 C12 C13 -0.7(16) . . . . ?
C11 C10 C15 C2 -179.6(8) . . . . ?
C11 C10 C15 C14 -1.1(12) . . . . ?
C11 C12 C13 C14 1.8(15) . . . . ?
C12 C13 C14 C15 -2.6(14) . . . . ?
C13 C14 C15 C2 -179.4(8) . . . . ?
C13 C14 C15 C10 2.2(13) . . . . ?
C15 C2 C3 C4 179.8(8) . . . . ?
C15 C2 C3 C8 -0.3(12) . . . . ?
C15 C10 C11 C12 0.4(14) . . . . ?
C17 C16 O3 P1 165.2(11) . . . . ?
C19 C18 O2 P1 -158.0(11) . . . . ?
C21 C22 C23 C24 0.000(2) . . . . ?
C21 C22 C23 O7 180.000(1) . . . . ?
C22 C21 N4 C25 0.000(2) . . . . ?
C22 C23 C24 C25 0.000(1) . . . . ?
C22 C23 O7 Dy1 0.000(3) . . . . ?
C23 C24 C25 N4 0.000(1) . . . . ?
C24 C23 O7 Dy1 180.000(2) . . . . ?
C24 C25 N4 C21 0.000(1) . . . . ?
C26 C26 C27 C27 0.000(10) 4_565 . . 4_565 ?
C26 C26 C27 C28 38(2) 4_565 . . . ?
C26 C26 N3 C30 -132.3(18) 4_565 . . . ?
C26 C26 N3 C30 -53.0(18) 4_565 . . 4_565 ?
C26 C27 C28 C27 -51(3) . . . 4_565 ?
C26 C27 C28 C29 2(3) . . . 4_565 ?
C26 C27 C28 C29 76(3) . . . . ?
C26 C27 C28 O8 -177.7(19) . . . . ?
C27 C26 N3 C26 66(3) . . . 4_565 ?
C27 C26 N3 C30 -66(3) . . . . ?
C27 C26 N3 C30 13(4) . . . 4_565 ?
C27 C27 C28 C29 52.2(13) 4_565 . . 4_565 ?
C27 C27 C28 C29 126.3(15) 4_565 . . . ?
C27 C27 C28 O8 -127(2) 4_565 . . . ?
C27 C28 C29 C29 -118.1(15) . . . 4_565 ?
C27 C28 C29 C29 -59.9(14) 4_565 . . 4_565 ?
C27 C28 C29 C30 7(3) 4_565 . . . ?
C27 C28 C29 C30 -51(2) . . . . ?
C27 C28 O8 Dy1 129.3(17) 4_565 . . . ?
C27 C28 O8 Dy1 -129.3(17) . . . . ?
C28 C29 C30 N3 -14(4) . . . . ?
C29 C28 C29 C30 67(3) 4_565 . . . ?
C29 C28 O8 Dy1 51.5(15) 4_565 . . . ?
C29 C28 O8 Dy1 -51.5(15) . . . . ?
C29 C29 C30 N3 29(2) 4_565 . . . ?
C29 C30 N3 C26 18(4) . . . 4_565 ?
C29 C30 N3 C26 79(3) . . . . ?
C29 C30 N3 C30 -45(3) . . . 4_565 ?
N3 C26 C27 C27 -43(3) . . . 4_565 ?
N3 C26 C27 C28 -5(4) . . . . ?
N4 C21 C22 C23 0.000(2) . . . . ?
O1 P1 C1 C2 -151.6(6) . . . . ?
O1 P1 O3 C16 4.8(15) . . . . ?
O1 P1 O2 C18 58.2(10) . . . . ?
O3 P1 C1 C2 -22.6(8) . . . . ?
O3 P1 O1 Dy1 -130.8(12) . . . . ?
O3 P1 O2 C18 -66.8(10) . . . . ?
O2 P1 C1 C2 85.6(7) . . . . ?
O2 P1 O1 Dy1 111.4(12) . . . . ?
O2 P1 O3 C16 128.1(13) . . . . ?
O9 N5 O10 Dy1 0.000(3) . . . . ?
O10 N5 O9 Dy1 0.000(2) . . . . ?
O11 N5 O9 Dy1 180.000(3) . . . . ?
O11 N5 O10 Dy1 180.000(3) . . . . ?
O7 C23 C24 C25 180.000(2) . . . . ?
O8 C28 C29 C29 120.7(19) . . . 4_565 ?
O8 C28 C29 C30 -172(2) . . . . ?

_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_y_a_CCDC4
_database_code_depnum_ccdc_archive 'CCDC 2421527'
loop_
_audit_author_name
_audit_author_address
a
;Nanjing University
China
;
_audit_update_record             
;
2025-02-05 deposited with the CCDC.	2025-04-21 downloaded from the CCDC.
;
_audit_creation_date             2024-11-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C50 H52 Dy N5 O11 P2 Se2'
_chemical_formula_sum            'C50 H52 Dy N5 O11 P2 Se2'
_chemical_formula_weight         1281.32
_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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   9.5847(12)
_cell_length_b                   25.809(3)
_cell_length_c                   11.2751(13)
_cell_angle_alpha                90
_cell_angle_beta                 112.946(3)
_cell_angle_gamma                90
_cell_volume                     2568.4(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4531
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      25.579
_cell_measurement_theta_min      2.308
_shelx_estimated_absorpt_T_max   0.965
_shelx_estimated_absorpt_T_min   0.558
_exptl_absorpt_coefficient_mu    2.998
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5487
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0993 before and 0.0766 after correction.
The Ratio of minimum to maximum transmission is 0.7359.
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    1.657
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       bloc
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.012
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0894
_diffrn_reflns_av_unetI/netI     0.0920
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21742
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.524
_diffrn_reflns_theta_min         1.961
_diffrn_ambient_temperature      300(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_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                3615
_reflns_number_total             6016
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.410
_refine_diff_density_min         -1.580
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         6016
_refine_ls_number_restraints     390
_refine_ls_R_factor_all          0.1493
_refine_ls_R_factor_gt           0.0858
_refine_ls_restrained_S_all      1.046
_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)+(0.0674P)²+22.2273P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1817
_refine_ls_wR_factor_ref         0.2206
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C28-C29 \\sim C29-C25 \\sim C25-C26 \\sim C26-C27 \\sim C23-C24
 with sigma of 0.01
 C28-C25 \\sim C25-C27 \\sim C23-C20
 with sigma of 0.02
 N4-C25 \\sim N3-C20
 with sigma of 0.02
 N4-C29 \\sim N3-C24 \\sim N3-C21
 with sigma of 0.02
 N4-C28 \\sim N3-C23 \\sim N3-C22
 with sigma of 0.02
 C16-C17 \\sim C18-C19
 with sigma of 0.01
 O3-C18 \\sim O2-C16
 with sigma of 0.01
2. Rigid bond restraints
 O7, C23, C24, C20, C21, C22, N3
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O8, C28, C29, C25, C26, C27, N4
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 P1, O1, O3, O2, C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14,
 C15, C18, C19, C16, C17
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 N2, O10, O9, O11
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3. Uiso/Uaniso restraints and constraints
O7 \\sim C23 \\sim C24 \\sim C20 \\sim C21 \\sim C22 \\sim N3: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
O8 \\sim C28 \\sim C29 \\sim C25 \\sim C26 \\sim C27 \\sim N4: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
P1 \\sim O1 \\sim O3 \\sim O2 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5
\\sim C6 \\sim C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13
\\sim C14 \\sim C15 \\sim C18 \\sim C19 \\sim C16 \\sim C17: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
N2 \\sim O10 \\sim O9 \\sim O11: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
4. Others
 Fixed Sof: C28(0.5) H28(0.5) C29(0.5) H29(0.5) C26(0.5) H26(0.5) C27(0.5)
 H27(0.5) N4(0.5) H4A(0.5)
5.a Riding coordinates:
 C28(H28), C29(H29), C26(H26), C27(H27), N4(H4A)
5.b Ternary CH refined with riding coordinates:
 C9(H9)
5.c Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C18(H18A,H18B), C16(H16A,H16B)
5.d Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C11(H11), C12(H12), C13(H13), C14(H14),
 C23(H23), C24(H24), C21(H21), C22(H22), N3(H3)
5.e Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C17(H17A,H17B,H17C)
;
_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 0.37527(8) 0.750000 0.75239(6) 0.0507(2) Uani 1 2 d S T P . .
Se1 Se 0.0237(2) 0.65386(6) 0.33116(14) 0.1049(6) Uani 1 1 d . . . . .
P1 P 0.4438(3) 0.60878(13) 0.7970(3) 0.0638(8) Uani 1 1 d . U . . .
C1 C 0.3846(11) 0.5888(4) 0.6312(10) 0.053(2) Uani 1 1 d . U . . .
H1A H 0.276987 0.581476 0.600717 0.063 Uiso 1 1 calc R U . . .
H1B H 0.394973 0.618901 0.583749 0.063 Uiso 1 1 calc R U . . .
C2 C 0.4563(11) 0.5434(4) 0.5885(9) 0.0481(18) Uani 1 1 d . U . . .
C3 C 0.4387(12) 0.4912(4) 0.6454(9) 0.0524(19) Uani 1 1 d . U . . .
C4 C 0.3261(13) 0.4821(5) 0.6915(10) 0.062(2) Uani 1 1 d . U . . .
H4 H 0.264855 0.509252 0.696541 0.074 Uiso 1 1 calc R U . . .
C5 C 0.3041(15) 0.4328(5) 0.7302(12) 0.074(3) Uani 1 1 d . U . . .
H5 H 0.228825 0.426745 0.761280 0.088 Uiso 1 1 calc R U . . .
C6 C 0.3952(15) 0.3931(5) 0.7217(12) 0.076(3) Uani 1 1 d . U . . .
H6 H 0.381142 0.360030 0.748100 0.091 Uiso 1 1 calc R U . . .
C7 C 0.5052(14) 0.4008(5) 0.6758(10) 0.065(2) Uani 1 1 d . U . . .
H7 H 0.565981 0.373409 0.671161 0.078 Uiso 1 1 calc R U . . .
C8 C 0.5260(12) 0.4503(4) 0.6356(10) 0.053(2) Uani 1 1 d . U . . .
C9 C 0.6327(11) 0.4599(4) 0.5694(10) 0.052(2) Uani 1 1 d . U . . .
H9 H 0.709391 0.432477 0.595993 0.063 Uiso 1 1 calc R U . . .
C10 C 0.7140(11) 0.5113(4) 0.6128(9) 0.053(2) Uani 1 1 d . U . . .
C11 C 0.8648(12) 0.5165(5) 0.6361(11) 0.066(2) Uani 1 1 d . U . . .
H11 H 0.921181 0.487789 0.631880 0.079 Uiso 1 1 calc R U . . .
C12 C 0.9327(13) 0.5648(5) 0.6658(12) 0.073(3) Uani 1 1 d . U . . .
H12 H 1.035518 0.568492 0.683886 0.088 Uiso 1 1 calc R U . . .
C13 C 0.8466(12) 0.6073(5) 0.6684(11) 0.067(3) Uani 1 1 d . U . . .
H13 H 0.890767 0.640041 0.684503 0.080 Uiso 1 1 calc R U . . .
C14 C 0.6959(11) 0.6018(4) 0.6475(10) 0.058(2) Uani 1 1 d . U . . .
H14 H 0.639763 0.630766 0.650678 0.070 Uiso 1 1 calc R U . . .
C15 C 0.6256(11) 0.5528(4) 0.6214(9) 0.052(2) Uani 1 1 d . U . . .
C18 C 0.340(2) 0.5918(8) 0.9704(12) 0.128(4) Uani 1 1 d D U . . .
H18A H 0.444689 0.586671 1.028075 0.154 Uiso 1 1 calc R U . . .
H18B H 0.311102 0.627004 0.980555 0.154 Uiso 1 1 calc R U . . .
C19 C 0.245(2) 0.5560(8) 1.0006(15) 0.142(6) Uani 1 1 d D U . . .
H19A H 0.154872 0.549942 0.925265 0.213 Uiso 1 1 calc R U . . .
H19B H 0.218403 0.570145 1.067646 0.213 Uiso 1 1 calc R U . . .
H19C H 0.298419 0.523958 1.029115 0.213 Uiso 1 1 calc R U . . .
C16 C 0.7293(11) 0.6117(4) 0.9571(10) 0.061(2) Uani 1 1 d D U . . .
H16A H 0.717871 0.626118 1.032209 0.073 Uiso 1 1 calc R U . . .
H16B H 0.743266 0.640146 0.906486 0.073 Uiso 1 1 calc R U . . .
C17 C 0.8600(14) 0.5781(6) 0.9971(14) 0.089(4) Uani 1 1 d D U . . .
H17A H 0.845216 0.549769 1.046085 0.133 Uiso 1 1 calc R U . . .
H17B H 0.948444 0.597315 1.049364 0.133 Uiso 1 1 calc R U . . .
H17C H 0.873229 0.564964 0.922549 0.133 Uiso 1 1 calc R U . . .
C30 C 0.1265(13) 0.6808(5) 0.4806(12) 0.067(3) Uani 1 1 d . . . . .
C23 C 0.557(2) 0.750000 0.3324(16) 0.096(4) Uani 1 2 d DS TU P . .
H23 H 0.500539 0.750000 0.243953 0.115 Uiso 1 2 calc R U P . .
C24 C 0.479(2) 0.750000 0.4131(17) 0.095(4) Uani 1 2 d DS TU P . .
H24 H 0.374068 0.750000 0.379248 0.113 Uiso 1 2 calc R U P . .
C20 C 0.561(2) 0.750000 0.5464(16) 0.098(4) Uani 1 2 d DS TU P . .
C21 C 0.721(2) 0.750000 0.5771(17) 0.093(4) Uani 1 2 d DS TU P . .
H21 H 0.788571 0.750000 0.662656 0.112 Uiso 1 2 calc R U P . .
C22 C 0.772(2) 0.750000 0.4806(19) 0.093(4) Uani 1 2 d DS TU P . .
H22 H 0.876428 0.750000 0.502415 0.111 Uiso 1 2 calc R U P . .
C28 C -0.016(2) 0.7707(8) 1.0217(19) 0.068(4) Uani 0.5 1 d D U P . .
H28 H -0.095687 0.791371 1.029890 0.082 Uiso 0.5 1 d R U P . .
C29 C 0.033(2) 0.7822(8) 0.9239(18) 0.067(3) Uani 0.5 1 d D U P . .
H29 H -0.007668 0.810284 0.864197 0.080 Uiso 0.5 1 d R U P . .
C25 C 0.1418(16) 0.750000 0.9120(15) 0.063(3) Uani 1 2 d DS TU P . .
C26 C 0.187(2) 0.7953(7) 0.9833(18) 0.068(3) Uani 0.5 1 d D U P . .
H26 H 0.222064 0.823476 0.946275 0.082 Uiso 0.5 1 d R U P . .
C27 C 0.142(3) 0.8037(9) 1.0843(19) 0.069(3) Uani 0.5 1 d D U P . .
H27 H 0.177706 0.835228 1.132447 0.083 Uiso 0.5 1 d R U P . .
N1 N 0.1939(13) 0.6960(5) 0.5834(12) 0.108(5) Uani 1 1 d . . . . .
N4 N 0.0588(19) 0.7697(7) 1.1209(17) 0.067(4) Uani 0.5 1 d D U P . .
H4A H 0.045103 0.773814 1.194638 0.081 Uiso 0.5 1 d R U P . .
N3 N 0.6906(18) 0.750000 0.3696(15) 0.094(4) Uani 1 2 d DS TU P . .
H3 H 0.730880 0.750000 0.313441 0.113 Uiso 1 2 calc R U P . .
N2 N 0.6197(14) 0.750000 1.0114(11) 0.055(2) Uani 1 2 d S TU P . .
O1 O 0.4529(9) 0.6656(3) 0.8120(8) 0.089(3) Uani 1 1 d . U . . .
O3 O 0.3225(9) 0.5831(4) 0.8399(8) 0.094(2) Uani 1 1 d D U . . .
O2 O 0.5954(8) 0.5830(3) 0.8814(7) 0.0578(16) Uani 1 1 d D U . . .
O10 O 0.4846(11) 0.750000 0.9962(9) 0.055(2) Uani 1 2 d S TU P . .
O9 O 0.6499(11) 0.750000 0.9123(9) 0.057(2) Uani 1 2 d S TU P . .
O11 O 0.7258(12) 0.750000 1.1201(9) 0.072(3) Uani 1 2 d S TU P . .
O7 O 0.5077(16) 0.750000 0.6298(12) 0.117(4) Uani 1 2 d S TU P . .
O8 O 0.1816(12) 0.750000 0.8161(11) 0.073(3) Uani 1 2 d S TU P . .


_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 N1 2.452(12) . ?
Dy1 N1 2.452(11) 4_575 ?
Dy1 O1 2.314(9) . ?
Dy1 O1 2.314(9) 4_575 ?
Dy1 O10 2.532(10) . ?
Dy1 O9 2.546(10) . ?
Dy1 O7 2.211(12) . ?
Dy1 O8 2.236(10) . ?
Se1 C30 1.731(13) . ?
P1 C1 1.804(10) . ?
P1 O1 1.475(9) . ?
P1 O3 1.569(9) . ?
P1 O2 1.543(8) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.529(13) . ?
C2 C3 1.529(14) . ?
C2 C9 1.650(13) 3_666 ?
C2 C15 1.537(13) . ?
C3 C4 1.388(14) . ?
C3 C8 1.378(14) . ?
C4 H4 0.9300 . ?
C4 C5 1.387(16) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(17) . ?
C6 H6 0.9300 . ?
C6 C7 1.359(16) . ?
C7 H7 0.9300 . ?
C7 C8 1.396(15) . ?
C8 C9 1.504(14) . ?
C9 H9 0.9800 . ?
C9 C10 1.519(14) . ?
C10 C11 1.371(14) . ?
C10 C15 1.392(13) . ?
C11 H11 0.9300 . ?
C11 C12 1.384(17) . ?
C12 H12 0.9300 . ?
C12 C13 1.381(16) . ?
C13 H13 0.9300 . ?
C13 C14 1.377(14) . ?
C14 H14 0.9300 . ?
C14 C15 1.409(14) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.424(15) . ?
C18 O3 1.432(11) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.443(13) . ?
C16 O2 1.439(10) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C30 N1 1.154(14) . ?
C23 H23 0.9300 . ?
C23 C24 1.379(12) . ?
C23 N3 1.186(16) . ?
C24 H24 0.9300 . ?
C24 C20 1.40(2) . ?
C20 C21 1.43(3) . ?
C20 O7 1.235(17) . ?
C21 H21 0.9300 . ?
C21 C22 1.36(2) . ?
C22 H22 0.9300 . ?
C22 N3 1.190(17) . ?
C28 C28 1.07(4) 4_575 ?
C28 H28 0.9635 . ?
C28 C29 1.386(12) . ?
C28 C29 1.92(2) 4_575 ?
C28 C27 1.64(3) . ?
C28 N4 1.49(2) 4_575 ?
C28 N4 1.069(17) . ?
C29 C29 1.66(4) 4_575 ?
C29 H29 0.9624 . ?
C29 C25 1.383(11) . ?
C29 C26 1.41(3) . ?
C29 C27 1.79(3) . ?
C25 C26 1.389(12) . ?
C25 C26 1.389(11) 4_575 ?
C25 O8 1.279(16) . ?
C26 H26 0.9610 . ?
C26 C27 1.383(12) . ?
C27 H27 0.9626 . ?
C27 N4 1.36(3) . ?
N4 N4 1.02(3) 4_575 ?
N4 H4A 0.8969 . ?
N3 H3 0.8600 . ?
N2 O10 1.238(14) . ?
N2 O9 1.258(14) . ?
N2 O11 1.251(15) . ?

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
N1 Dy1 N1 69.3(6) . 4_575 ?
N1 Dy1 O10 135.4(4) 4_575 . ?
N1 Dy1 O10 135.4(4) . . ?
N1 Dy1 O9 140.8(3) . . ?
N1 Dy1 O9 140.8(3) 4_575 . ?
O1 Dy1 N1 75.0(4) . . ?
O1 Dy1 N1 144.2(4) . 4_575 ?
O1 Dy1 N1 144.2(4) 4_575 . ?
O1 Dy1 N1 75.0(3) 4_575 4_575 ?
O1 Dy1 O1 140.4(4) . 4_575 ?
O1 Dy1 O10 74.6(2) . . ?
O1 Dy1 O10 74.6(2) 4_575 . ?
O1 Dy1 O9 70.6(2) 4_575 . ?
O1 Dy1 O9 70.6(2) . . ?
O10 Dy1 O9 49.8(3) . . ?
O7 Dy1 N1 85.4(5) . . ?
O7 Dy1 N1 85.4(5) . 4_575 ?
O7 Dy1 O1 89.1(3) . 4_575 ?
O7 Dy1 O1 89.1(3) . . ?
O7 Dy1 O10 125.7(4) . . ?
O7 Dy1 O9 75.8(4) . . ?
O7 Dy1 O8 162.1(5) . . ?
O8 Dy1 N1 79.9(4) . 4_575 ?
O8 Dy1 N1 79.9(4) . . ?
O8 Dy1 O1 96.9(3) . . ?
O8 Dy1 O1 96.9(3) . 4_575 ?
O8 Dy1 O10 72.3(4) . . ?
O8 Dy1 O9 122.1(4) . . ?
O1 P1 C1 112.5(6) . . ?
O1 P1 O3 113.7(6) . . ?
O1 P1 O2 111.0(4) . . ?
O3 P1 C1 103.1(5) . . ?
O2 P1 C1 110.8(4) . . ?
O2 P1 O3 105.1(5) . . ?
P1 C1 H1A 106.5 . . ?
P1 C1 H1B 106.5 . . ?
H1A C1 H1B 106.5 . . ?
C2 C1 P1 123.2(7) . . ?
C2 C1 H1A 106.5 . . ?
C2 C1 H1B 106.5 . . ?
C1 C2 C9 105.8(8) . 3_666 ?
C1 C2 C15 111.4(8) . . ?
C3 C2 C1 114.0(8) . . ?
C3 C2 C9 108.2(8) . 3_666 ?
C3 C2 C15 108.5(8) . . ?
C15 C2 C9 108.8(8) . 3_666 ?
C4 C3 C2 122.4(9) . . ?
C8 C3 C2 118.1(9) . . ?
C8 C3 C4 119.0(10) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.6(11) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.5 . . ?
C6 C5 C4 119.0(12) . . ?
C6 C5 H5 120.5 . . ?
C5 C6 H6 119.1 . . ?
C7 C6 C5 121.7(13) . . ?
C7 C6 H6 119.1 . . ?
C6 C7 H7 120.4 . . ?
C6 C7 C8 119.2(11) . . ?
C8 C7 H7 120.4 . . ?
C3 C8 C7 120.5(10) . . ?
C3 C8 C9 117.8(10) . . ?
C7 C8 C9 121.5(10) . . ?
C2 C9 H9 107.7 3_666 . ?
C8 C9 C2 111.2(8) . 3_666 ?
C8 C9 H9 107.7 . . ?
C8 C9 C10 110.3(8) . . ?
C10 C9 C2 112.2(8) . 3_666 ?
C10 C9 H9 107.7 . . ?
C11 C10 C9 121.2(9) . . ?
C11 C10 C15 122.4(10) . . ?
C15 C10 C9 116.4(9) . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.7(11) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.5(11) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 119.7 . . ?
C14 C13 C12 120.6(12) . . ?
C14 C13 H13 119.7 . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.9(11) . . ?
C15 C14 H14 119.6 . . ?
C10 C15 C2 118.4(9) . . ?
C10 C15 C14 116.8(9) . . ?
C14 C15 C2 124.5(9) . . ?
H18A C18 H18B 108.4 . . ?
C19 C18 H18A 110.0 . . ?
C19 C18 H18B 110.0 . . ?
C19 C18 O3 108.4(13) . . ?
O3 C18 H18A 110.0 . . ?
O3 C18 H18B 110.0 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
H16A C16 H16B 108.2 . . ?
C17 C16 H16A 109.7 . . ?
C17 C16 H16B 109.7 . . ?
O2 C16 H16A 109.7 . . ?
O2 C16 H16B 109.7 . . ?
O2 C16 C17 109.9(9) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C30 Se1 175.9(14) . . ?
C24 C23 H23 118.2 . . ?
N3 C23 H23 118.2 . . ?
N3 C23 C24 123.6(17) . . ?
C23 C24 H24 120.4 . . ?
C23 C24 C20 119.3(16) . . ?
C20 C24 H24 120.4 . . ?
C24 C20 C21 111.1(13) . . ?
O7 C20 C24 126.4(19) . . ?
O7 C20 C21 122.5(18) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.6(16) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 118.5 . . ?
N3 C22 C21 123(2) . . ?
N3 C22 H22 118.5 . . ?
C28 C28 H28 123.5 4_575 . ?
C28 C28 C29 102.3(12) 4_575 . ?
C28 C28 C29 44.8(6) 4_575 4_575 ?
C28 C28 C27 121.2(11) 4_575 . ?
C28 C28 N4 45.7(9) 4_575 4_575 ?
C29 C28 H28 145.6 4_575 . ?
C29 C28 H28 118.9 . . ?
C29 C28 C29 57.5(13) . 4_575 ?
C29 C28 C27 71.9(13) . . ?
C29 C28 N4 122.1(14) . 4_575 ?
C27 C28 H28 107.9 . . ?
C27 C28 C29 102.9(9) . 4_575 ?
N4 C28 C28 88.5(15) . 4_575 ?
N4 C28 H28 98.5 . . ?
N4 C28 H28 118.8 4_575 . ?
N4 C28 C29 77.3(12) 4_575 4_575 ?
N4 C28 C29 122.7(18) . . ?
N4 C28 C29 111.6(18) . 4_575 ?
N4 C28 C27 86.9(13) 4_575 . ?
N4 C28 C27 55.3(15) . . ?
N4 C28 N4 42.9(16) . 4_575 ?
C28 C29 C28 32.9(13) . 4_575 ?
C28 C29 C29 77.7(12) . 4_575 ?
C28 C29 H29 123.3 . . ?
C28 C29 H29 144.6 4_575 . ?
C28 C29 C26 107.0(15) . . ?
C28 C29 C27 60.7(13) . . ?
C29 C29 C28 44.8(6) 4_575 4_575 ?
C29 C29 H29 138.9 4_575 . ?
C29 C29 C27 108.1(10) 4_575 . ?
C25 C29 C28 89.5(12) . 4_575 ?
C25 C29 C28 116.9(15) . . ?
C25 C29 C29 53.1(9) . 4_575 ?
C25 C29 H29 119.8 . . ?
C25 C29 C26 59.6(7) . . ?
C25 C29 C27 96.7(13) . . ?
C26 C29 C28 110.1(13) . 4_575 ?
C26 C29 C29 103.9(10) . 4_575 ?
C26 C29 H29 102.3 . . ?
C26 C29 C27 49.5(9) . . ?
C27 C29 C28 79.6(11) . 4_575 ?
C27 C29 H29 113.0 . . ?
C29 C25 C29 73.8(19) . 4_575 ?
C29 C25 C26 121.8(14) 4_575 . ?
C29 C25 C26 61.1(13) . . ?
C29 C25 C26 121.8(14) . 4_575 ?
C29 C25 C26 61.1(13) 4_575 4_575 ?
C26 C25 C26 115(2) 4_575 . ?
O8 C25 C29 124.7(12) . . ?
O8 C25 C29 124.7(12) . 4_575 ?
O8 C25 C26 111.1(9) . 4_575 ?
O8 C25 C26 111.1(10) . . ?
C29 C26 H26 117.0 . . ?
C25 C26 C29 59.2(7) . . ?
C25 C26 H26 118.0 . . ?
C27 C26 C29 79.7(14) . . ?
C27 C26 C25 118.8(16) . . ?
C27 C26 H26 120.7 . . ?
C28 C27 C29 47.4(8) . . ?
C28 C27 H27 138.0 . . ?
C29 C27 H27 140.4 . . ?
C26 C27 C28 95.6(13) . . ?
C26 C27 C29 50.8(11) . . ?
C26 C27 H27 116.4 . . ?
N4 C27 C28 40.4(9) . . ?
N4 C27 C29 85.5(14) . . ?
N4 C27 C26 123.9(17) . . ?
N4 C27 H27 119.6 . . ?
C30 N1 Dy1 157.5(14) . . ?
C28 N4 C28 45.8(19) . 4_575 ?
C28 N4 C27 84.3(18) . . ?
C28 N4 H4A 133.3 . . ?
C28 N4 H4A 125.2 4_575 . ?
C27 N4 C28 113.1(14) . 4_575 ?
C27 N4 H4A 121.5 . . ?
N4 N4 C28 91.5(15) 4_575 . ?
N4 N4 C28 45.7(9) 4_575 4_575 ?
N4 N4 C27 130.3(10) 4_575 . ?
N4 N4 H4A 96.8 4_575 . ?
C23 N3 C22 123.4(17) . . ?
C23 N3 H3 118.3 . . ?
C22 N3 H3 118.3 . . ?
O10 N2 O9 117.9(12) . . ?
O10 N2 O11 122.8(11) . . ?
O11 N2 O9 119.3(12) . . ?
P1 O1 Dy1 154.7(5) . . ?
C18 O3 P1 116.6(8) . . ?
C16 O2 P1 123.4(7) . . ?
N2 O10 Dy1 96.8(8) . . ?
N2 O9 Dy1 95.5(8) . . ?
C20 O7 Dy1 170.6(15) . . ?
C25 O8 Dy1 146.1(11) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C28 H28 O9 0.96 2.51 3.00(2) 110.8 1_455 yes
C28 H28 O9 0.96 2.51 3.00(2) 110.8 1_455 yes
C28 H28 O9 0.96 2.51 3.00(2) 110.8 1_455 yes
C28 H28 O11 0.96 2.54 3.126(18) 119.2 1_455 yes
C28 H28 O11 0.96 2.54 3.126(18) 119.2 1_455 yes
C28 H28 O11 0.96 2.54 3.126(18) 119.2 1_455 yes
N4 H4A Se1 0.90 2.48 3.201(16) 138.0 4_576 yes
N4 H4A Se1 0.90 2.48 3.201(16) 138.0 4_576 yes
N4 H4A Se1 0.90 2.48 3.201(16) 138.0 4_576 yes
N3 H3 O11 0.86 2.16 2.960(17) 154.4 1_554 yes
N3 H3 O11 0.86 2.16 2.960(17) 154.4 1_554 yes
N3 H3 O11 0.86 2.16 2.960(17) 154.4 1_554 yes

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
P1 C1 C2 C3 61.6(11) . . . . ?
P1 C1 C2 C9 -179.6(7) . . . 3_666 ?
P1 C1 C2 C15 -61.6(12) . . . . ?
C1 P1 O1 Dy1 37.1(17) . . . . ?
C1 P1 O3 C18 179.5(12) . . . . ?
C1 P1 O2 C16 122.0(8) . . . . ?
C1 C2 C3 C4 21.9(13) . . . . ?
C1 C2 C3 C8 -166.3(9) . . . . ?
C1 C2 C15 C10 167.3(9) . . . . ?
C1 C2 C15 C14 -19.4(14) . . . . ?
C2 C3 C4 C5 173.3(10) . . . . ?
C2 C3 C8 C7 -174.4(9) . . . . ?
C2 C3 C8 C9 0.0(14) . . . . ?
C2 C9 C10 C11 -95.7(12) 3_666 . . . ?
C2 C9 C10 C15 81.3(11) 3_666 . . . ?
C3 C2 C15 C10 41.0(12) . . . . ?
C3 C2 C15 C14 -145.6(10) . . . . ?
C3 C4 C5 C6 -0.2(18) . . . . ?
C3 C8 C9 C2 -81.9(11) . . . 3_666 ?
C3 C8 C9 C10 43.2(12) . . . . ?
C4 C3 C8 C7 -2.3(16) . . . . ?
C4 C3 C8 C9 172.1(9) . . . . ?
C4 C5 C6 C7 -0.4(19) . . . . ?
C5 C6 C7 C8 -0.3(19) . . . . ?
C6 C7 C8 C3 1.7(17) . . . . ?
C6 C7 C8 C9 -172.5(10) . . . . ?
C7 C8 C9 C2 92.5(11) . . . 3_666 ?
C7 C8 C9 C10 -142.4(10) . . . . ?
C8 C3 C4 C5 1.6(16) . . . . ?
C8 C9 C10 C11 139.7(10) . . . . ?
C8 C9 C10 C15 -43.2(12) . . . . ?
C9 C2 C3 C4 -95.6(11) 3_666 . . . ?
C9 C2 C3 C8 76.3(11) 3_666 . . . ?
C9 C2 C15 C10 -76.4(11) 3_666 . . . ?
C9 C2 C15 C14 96.9(11) 3_666 . . . ?
C9 C10 C11 C12 175.0(11) . . . . ?
C9 C10 C15 C2 0.7(14) . . . . ?
C9 C10 C15 C14 -173.1(9) . . . . ?
C10 C11 C12 C13 -1.6(19) . . . . ?
C11 C10 C15 C2 177.7(10) . . . . ?
C11 C10 C15 C14 3.9(16) . . . . ?
C11 C12 C13 C14 2.9(19) . . . . ?
C12 C13 C14 C15 -0.8(18) . . . . ?
C13 C14 C15 C2 -176.0(10) . . . . ?
C13 C14 C15 C10 -2.5(16) . . . . ?
C15 C2 C3 C4 146.6(10) . . . . ?
C15 C2 C3 C8 -41.6(12) . . . . ?
C15 C10 C11 C12 -1.9(18) . . . . ?
C19 C18 O3 P1 -165.9(14) . . . . ?
C17 C16 O2 P1 -165.0(9) . . . . ?
C23 C24 C20 C21 0.000(7) . . . . ?
C23 C24 C20 O7 180.000(6) . . . . ?
C24 C23 N3 C22 0.000(4) . . . . ?
C24 C20 C21 C22 0.000(7) . . . . ?
C20 C21 C22 N3 0.000(8) . . . . ?
C21 C22 N3 C23 0.000(5) . . . . ?
C28 C28 C29 C29 0.00(2) 4_575 . . 4_575 ?
C28 C28 C29 C25 -36.9(19) 4_575 . . . ?
C28 C28 C29 C26 -100.9(13) 4_575 . . . ?
C28 C28 C29 C27 -119.1(10) 4_575 . . . ?
C28 C28 C27 C29 93.7(11) 4_575 . . . ?
C28 C28 C27 C26 75.8(16) 4_575 . . . ?
C28 C28 C27 N4 -62.9(15) 4_575 . . . ?
C28 C28 N4 C27 130.4(10) 4_575 . . . ?
C28 C28 N4 N4 0.001(13) 4_575 . . 4_575 ?
C28 C29 C25 C29 28.1(13) 4_575 . . 4_575 ?
C28 C29 C25 C29 47(2) . . . 4_575 ?
C28 C29 C25 C26 8(3) . . . 4_575 ?
C28 C29 C25 C26 -113.8(13) 4_575 . . . ?
C28 C29 C25 C26 -11(2) 4_575 . . 4_575 ?
C28 C29 C25 C26 -95(2) . . . . ?
C28 C29 C25 O8 168.5(15) . . . . ?
C28 C29 C25 O8 149.5(12) 4_575 . . . ?
C28 C29 C26 C25 77.0(13) 4_575 . . . ?
C28 C29 C26 C25 111.7(17) . . . . ?
C28 C29 C26 C27 -21.0(17) . . . . ?
C28 C29 C26 C27 -55.6(15) 4_575 . . . ?
C28 C29 C27 C28 -28.9(12) 4_575 . . . ?
C28 C29 C27 C26 128.0(15) 4_575 . . . ?
C28 C29 C27 C26 156.9(18) . . . . ?
C28 C29 C27 N4 -13.9(11) 4_575 . . . ?
C28 C29 C27 N4 15.0(13) . . . . ?
C28 C27 N4 C28 36.4(16) . . . 4_575 ?
C28 C27 N4 N4 87.1(17) . . . 4_575 ?
C29 C28 C29 C28 0.00(3) 4_575 . . 4_575 ?
C29 C28 C29 C25 -36.9(19) 4_575 . . . ?
C29 C28 C29 C26 -100.9(13) 4_575 . . . ?
C29 C28 C29 C27 -119.1(10) 4_575 . . . ?
C29 C28 C27 C29 49.1(12) 4_575 . . . ?
C29 C28 C27 C26 31.3(18) 4_575 . . . ?
C29 C28 C27 C26 -17.8(15) . . . . ?
C29 C28 C27 N4 -107.4(19) 4_575 . . . ?
C29 C28 C27 N4 -157(2) . . . . ?
C29 C28 N4 C28 -104(2) . . . 4_575 ?
C29 C28 N4 C28 -39.3(10) 4_575 . . 4_575 ?
C29 C28 N4 C27 27(2) . . . . ?
C29 C28 N4 C27 91.1(14) 4_575 . . . ?
C29 C28 N4 N4 -39.3(10) 4_575 . . 4_575 ?
C29 C28 N4 N4 -104(2) . . . 4_575 ?
C29 C29 C25 C26 -141.9(13) 4_575 . . . ?
C29 C29 C25 C26 -39.5(14) 4_575 . . 4_575 ?
C29 C29 C25 O8 121.3(18) 4_575 . . . ?
C29 C29 C26 C25 30.5(9) 4_575 . . . ?
C29 C29 C26 C27 -102.1(12) 4_575 . . . ?
C29 C29 C27 C28 -63.9(11) 4_575 . . . ?
C29 C29 C27 C26 93.0(13) 4_575 . . . ?
C29 C29 C27 N4 -48.9(12) 4_575 . . . ?
C29 C25 C26 C29 -44.2(19) 4_575 . . . ?
C29 C25 C26 C27 56(2) . . . . ?
C29 C25 C26 C27 11(3) 4_575 . . . ?
C29 C25 O8 Dy1 133.1(15) . . . . ?
C29 C25 O8 Dy1 -133.1(15) 4_575 . . . ?
C29 C26 C27 C28 16.9(14) . . . . ?
C29 C26 C27 N4 48(2) . . . . ?
C29 C27 N4 C28 19.3(16) . . . 4_575 ?
C29 C27 N4 C28 -17.1(15) . . . . ?
C29 C27 N4 N4 70.0(15) . . . 4_575 ?
C25 C29 C26 C27 -132.6(18) . . . . ?
C25 C29 C27 C28 -117.1(16) . . . . ?
C25 C29 C27 C26 39.7(15) . . . . ?
C25 C29 C27 N4 -102.2(14) . . . . ?
C25 C26 C27 C28 -29(3) . . . . ?
C25 C26 C27 C29 -46.1(15) . . . . ?
C25 C26 C27 N4 2(4) . . . . ?
C26 C29 C25 C29 141.9(13) . . . 4_575 ?
C26 C29 C25 C26 102(3) . . . 4_575 ?
C26 C29 C25 O8 -96.8(15) . . . . ?
C26 C29 C27 C28 -156.9(18) . . . . ?
C26 C29 C27 N4 -141.9(19) . . . . ?
C26 C25 C26 C29 -114.2(18) 4_575 . . . ?
C26 C25 C26 C27 -59(3) 4_575 . . . ?
C26 C25 O8 Dy1 -64.3(14) 4_575 . . . ?
C26 C25 O8 Dy1 64.3(14) . . . . ?
C26 C27 N4 C28 -16(3) . . . 4_575 ?
C26 C27 N4 C28 -52(3) . . . . ?
C26 C27 N4 N4 35(3) . . . 4_575 ?
C27 C28 C29 C28 119.1(10) . . . 4_575 ?
C27 C28 C29 C29 119.1(10) . . . 4_575 ?
C27 C28 C29 C25 82.2(19) . . . . ?
C27 C28 C29 C26 18.2(15) . . . . ?
C27 C28 N4 C28 -130.4(10) . . . 4_575 ?
C27 C28 N4 N4 -130.4(10) . . . 4_575 ?
C27 C29 C25 C29 107.7(13) . . . 4_575 ?
C27 C29 C25 C26 68(2) . . . 4_575 ?
C27 C29 C25 C26 -34.3(13) . . . . ?
C27 C29 C25 O8 -131.0(14) . . . . ?
C27 C29 C26 C25 132.6(18) . . . . ?
N4 C28 C29 C28 96(2) . . . 4_575 ?
N4 C28 C29 C28 45.0(14) 4_575 . . 4_575 ?
N4 C28 C29 C29 96(2) . . . 4_575 ?
N4 C28 C29 C29 45.0(14) 4_575 . . 4_575 ?
N4 C28 C29 C25 59(3) . . . . ?
N4 C28 C29 C25 8(3) 4_575 . . . ?
N4 C28 C29 C26 -56(2) 4_575 . . . ?
N4 C28 C29 C26 -5(3) . . . . ?
N4 C28 C29 C27 -74.2(17) 4_575 . . . ?
N4 C28 C29 C27 -23(2) . . . . ?
N4 C28 C27 C29 157(2) . . . . ?
N4 C28 C27 C29 125.3(14) 4_575 . . . ?
N4 C28 C27 C26 139(2) . . . . ?
N4 C28 C27 C26 107.5(16) 4_575 . . . ?
N4 C28 C27 N4 -31.2(13) 4_575 . . . ?
N4 C28 N4 C28 0.00(2) 4_575 . . 4_575 ?
N4 C28 N4 C27 130.4(10) 4_575 . . . ?
N3 C23 C24 C20 0.000(7) . . . . ?
O1 P1 C1 C2 138.1(9) . . . . ?
O1 P1 O3 C18 -58.3(14) . . . . ?
O1 P1 O2 C16 -3.9(10) . . . . ?
O3 P1 C1 C2 -99.0(9) . . . . ?
O3 P1 O1 Dy1 -79.7(16) . . . . ?
O3 P1 O2 C16 -127.3(8) . . . . ?
O2 P1 C1 C2 13.1(10) . . . . ?
O2 P1 O1 Dy1 162.0(13) . . . . ?
O2 P1 O3 C18 63.4(13) . . . . ?
O10 N2 O9 Dy1 0.000(7) . . . . ?
O9 N2 O10 Dy1 0.000(6) . . . . ?
O11 N2 O10 Dy1 180.000(7) . . . . ?
O11 N2 O9 Dy1 180.000(8) . . . . ?
O7 C20 C21 C22 180.000(8) . . . . ?
O8 C25 C26 C29 118.9(14) . . . . ?
O8 C25 C26 C27 174.6(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
