# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_qq
_database_code_depnum_ccdc_archive 'CCDC 1875514'
loop_
_audit_author_name
_audit_author_address
'Peipei Cen'
;Chang`an District, Xi`an, Shanxi,China
China
;
_audit_update_record             
;
2018-10-26 deposited with the CCDC.	2019-12-13 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_audit_creation_date             2018-07-20
_chemical_formula_sum            'C64 H42 Cl0 Dy2 F12 N8 O10'
_chemical_formula_weight         1636.060
_refine_ls_R_factor_all          0.159
_cell_length_a                   13.5287(6)
_cell_length_b                   13.9447(6)
_cell_length_c                   18.7450(8)
_cell_angle_alpha                93.001(4)
_cell_angle_beta                 100.392(4)
_cell_angle_gamma                116.780(4)
_cell_volume                     3069.1(3)
_cell_formula_units_Z            2
_symmetry_int_tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  -P_1

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Dy ? 1.200
F ? 1.200
O ? 1.200
N ? 1.200
C ? 1.200
H ? 1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
Dy1 Dy 1.1312(1) 0.9435(1) 0.2453(1) 1.000 2 i ? d Uani 0.0135(4)
Dy2 Dy 0.8173(1) 0.8874(1) 0.2686(1) 1.000 2 i ? d Uani 0.0128(4)
F1 F 1.352(2) 0.727(2) 0.1237(14) 1.000 2 i ? d Uani 0.044(6)
F2 F 1.443(2) 0.856(2) 0.2092(16) 1.000 2 i ? d Uani 0.057(7)
F3 F 1.382(2) 0.889(2) 0.1078(17) 1.000 2 i ? d Uani 0.060(7)
F4 F 0.3979(17) 0.642(2) 0.2759(14) 1.000 2 i ? d Uani 0.044(6)
F5 F 0.722(2) 1.1981(19) 0.1296(13) 1.000 2 i ? d Uani 0.039(5)
F6 F 1.4777(19) 1.2034(19) 0.4301(13) 1.000 2 i ? d Uani 0.039(5)
F7 F 0.6224(17) 1.0299(19) 0.0953(13) 1.000 2 i ? d Uani 0.036(5)
F8 F 0.4486(19) 0.604(2) 0.3815(13) 1.000 2 i ? d Uani 0.040(6)
F9 F 1.4629(19) 1.3518(17) 0.4230(12) 1.000 2 i ? d Uani 0.038(5)
F10 F 1.3574(18) 1.2250(17) 0.4809(12) 1.000 2 i ? d Uani 0.032(5)
F11 F 0.782(2) 1.116(2) 0.0620(12) 1.000 2 i ? d Uani 0.046(6)
F12 F 0.4886(18) 0.770(2) 0.3686(13) 1.000 2 i ? d Uani 0.039(6)
O1 O 1.0013(16) 0.9059(15) 0.3228(11) 1.000 2 i ? d Uani 0.009(4)
O2 O 0.9332(16) 0.8947(16) 0.1891(11) 1.000 2 i ? d Uani 0.011(4)
O3 O 0.7578(18) 0.9857(17) 0.1880(12) 1.000 2 i ? d Uani 0.016(4)
O4 O 1.2557(17) 0.8785(17) 0.2205(12) 1.000 2 i ? d Uani 0.019(5)
O5 O 0.6290(18) 0.7798(19) 0.2825(13) 1.000 2 i ? d Uani 0.025(5)
O6 O 1.2660(18) 1.0828(16) 0.3415(12) 1.000 2 i ? d Uani 0.015(4)
O7 O 1.0281(17) 0.7576(18) 0.2009(12) 1.000 2 i ? d Uani 0.018(5)
O8 O 0.7939(18) 0.7129(17) 0.2827(12) 1.000 2 i ? d Uani 0.019(5)
O9 O 0.9427(16) 1.0734(16) 0.3072(11) 1.000 2 i ? d Uani 0.009(4)
O10 O 1.1280(18) 1.1091(17) 0.2237(12) 1.000 2 i ? d Uani 0.015(4)
N1 N 0.948(2) 0.859(2) 0.4331(14) 1.000 2 i ? d Uani 0.016(5)
N2 N 1.293(2) 1.064(2) 0.1764(16) 1.000 2 i ? d Uani 0.024(6)
N3 N 1.167(2) 0.8435(19) 0.3569(13) 1.000 2 i ? d Uani 0.010(5)
N4 N 0.965(2) 0.878(2) 0.0717(15) 1.000 2 i ? d Uani 0.021(6)
N5 N 0.709(2) 0.769(2) 0.1389(15) 1.000 2 i ? d Uani 0.017(6)
N6 N 0.869(2) 0.894(2) 0.4037(14) 1.000 2 i ? d Uani 0.014(5)
N7 N 1.079(2) 0.936(2) 0.1081(15) 1.000 2 i ? d Uani 0.018(6)
N8 N 0.731(2) 0.976(2) 0.3510(14) 1.000 2 i ? d Uani 0.017(5)
C1 C 0.835(3) 0.380(3) 0.342(2) 1.000 2 i ? d Uani 0.030(8)
H1A H 0.8581 0.3252 0.3481 1.000 2 i ? calc Uiso 0.03600
C2 C 0.911(4) 0.483(3) 0.322(2) 1.000 2 i ? d Uani 0.038(9)
H2 H 0.9851 0.4982 0.3162 1.000 2 i ? calc Uiso 0.04500
C3 C 1.096(3) 1.369(3) 0.315(2) 1.000 2 i ? d Uani 0.027(8)
H3A H 1.0727 1.3771 0.2659 1.000 2 i ? calc Uiso 0.03200
C4 C 0.615(3) 0.661(3) -0.0046(18) 1.000 2 i ? d Uani 0.018(7)
H4A H 0.5828 0.6233 -0.0533 1.000 2 i ? calc Uiso 0.02200
C5 C 0.732(3) 0.632(3) 0.3108(18) 1.000 2 i ? d Uani 0.019(7)
C6 C 0.935(3) 0.581(2) 0.1235(17) 1.000 2 i ? d Uani 0.015(6)
C7 C 0.724(3) 0.731(3) 0.0174(19) 1.000 2 i ? d Uani 0.023(7)
H7A H 0.7703 0.7466 -0.0176 1.000 2 i ? calc Uiso 0.02800
C8 C 1.088(3) 0.752(3) 0.4567(19) 1.000 2 i ? d Uani 0.024(7)
H8A H 1.0355 0.7359 0.4872 1.000 2 i ? calc Uiso 0.02900
C9 C 0.546(3) 0.646(3) 0.0468(17) 1.000 2 i ? d Uani 0.019(7)
H9A H 0.4669 0.5987 0.0335 1.000 2 i ? calc Uiso 0.02200
C10 C 0.481(3) 0.676(3) 0.337(2) 1.000 2 i ? d Uani 0.031(8)
C11 C 1.412(2) 1.127(2) 0.2095(17) 1.000 2 i ? d Uani 0.012(6)
H11A H 1.4359 1.1397 0.2615 1.000 2 i ? calc Uiso 0.01500
C12 C 1.266(3) 1.052(3) 0.1023(18) 1.000 2 i ? d Uani 0.017(7)
C13 C 0.729(3) 1.105(3) 0.120(2) 1.000 2 i ? d Uani 0.029(8)
C14 C 1.091(2) 0.818(2) 0.4015(15) 1.000 2 i ? d Uani 0.010(6)
C15 C 1.241(3) 0.802(3) 0.3673(19) 1.000 2 i ? d Uani 0.023(7)
H15A H 1.2947 0.8195 0.3374 1.000 2 i ? calc Uiso 0.02800
C16 C 1.148(3) 0.708(3) 0.1448(19) 1.000 2 i ? d Uani 0.019(7)
H16A H 1.1508 0.6561 0.1120 1.000 2 i ? calc Uiso 0.02200
C17 C 1.046(3) 1.264(2) 0.3427(17) 1.000 2 i ? d Uani 0.015(6)
C18 C 1.403(3) 1.243(3) 0.4218(19) 1.000 2 i ? d Uani 0.023(7)
C19 C 0.763(2) 0.543(2) 0.3210(16) 1.000 2 i ? d Uani 0.010(6)
C20 C 0.599(3) 0.702(3) 0.1172(19) 1.000 2 i ? d Uani 0.023(7)
H20A H 0.5534 0.6908 0.1521 1.000 2 i ? calc Uiso 0.02800
C21 C 0.636(3) 0.624(3) 0.333(2) 1.000 2 i ? d Uani 0.028(8)
H21A H 0.5998 0.5683 0.3604 1.000 2 i ? calc Uiso 0.03400
C22 C 1.089(3) 1.234(3) 0.1272(18) 1.000 2 i ? d Uani 0.019(7)
H22A H 1.0327 1.1602 0.1213 1.000 2 i ? calc Uiso 0.02300
C23 C 1.345(3) 1.099(3) 0.0613(19) 1.000 2 i ? d Uani 0.021(7)
H23A H 1.3200 1.0907 0.0095 1.000 2 i ? calc Uiso 0.02500
C24 C 1.090(3) 1.254(3) 0.414(2) 1.000 2 i ? d Uani 0.025(8)
H24A H 1.0597 1.1855 0.4298 1.000 2 i ? calc Uiso 0.03000
C25 C 1.199(2) 1.209(2) 0.2398(18) 1.000 2 i ? d Uani 0.012(6)
C26 C 0.869(3) 0.558(3) 0.3114(19) 1.000 2 i ? d Uani 0.024(7)
H26A H 0.9165 0.6244 0.2965 1.000 2 i ? calc Uiso 0.02900
C27 C 1.242(3) 0.736(3) 0.4191(18) 1.000 2 i ? d Uani 0.020(7)
H27A H 1.2932 0.7058 0.4238 1.000 2 i ? calc Uiso 0.02400
C28 C 0.954(3) 1.160(3) 0.2915(17) 1.000 2 i ? d Uani 0.017(7)
C29 C 0.883(2) 1.173(2) 0.2297(14) 1.000 2 i ? d Uani 0.005(5)
H29A H 0.8990 1.2441 0.2203 1.000 2 i ? calc Uiso 0.00600
C30 C 0.827(3) 0.925(2) 0.4505(17) 1.000 2 i ? d Uani 0.014(6)
H30A H 0.8436 0.9189 0.5010 1.000 2 i ? calc Uiso 0.01700
C31 C 0.594(3) 1.037(3) 0.365(2) 1.000 2 i ? d Uani 0.025(8)
H31A H 0.5373 1.0552 0.3415 1.000 2 i ? calc Uiso 0.03000
C32 C 0.830(3) 0.572(2) 0.1313(17) 1.000 2 i ? d Uani 0.016(6)
H32A H 0.8265 0.6286 0.1595 1.000 2 i ? calc Uiso 0.01900
C33 C 1.274(3) 1.382(3) 0.186(2) 1.000 2 i ? d Uani 0.029(8)
H33A H 1.3431 1.4089 0.2222 1.000 2 i ? calc Uiso 0.03500
C34 C 1.289(3) 1.249(3) 0.3029(17) 1.000 2 i ? d Uani 0.016(6)
H34A H 1.3376 1.3257 0.3147 1.000 2 i ? calc Uiso 0.01900
C35 C 1.250(2) 0.803(2) 0.1765(16) 1.000 2 i ? d Uani 0.009(6)
C36 C 1.042(3) 0.686(2) 0.1582(17) 1.000 2 i ? d Uani 0.014(6)
C37 C 0.590(2) 0.694(2) 0.3158(16) 1.000 2 i ? d Uani 0.012(6)
C38 C 1.165(3) 0.713(3) 0.464(2) 1.000 2 i ? d Uani 0.026(8)
H38A H 1.1663 0.6701 0.5017 1.000 2 i ? calc Uiso 0.03100
C39 C 0.728(3) 0.361(3) 0.353(2) 1.000 2 i ? d Uani 0.037(9)
H39A H 0.6807 0.2967 0.3692 1.000 2 i ? calc Uiso 0.04400
C40 C 1.158(3) 1.402(3) 0.0788(19) 1.000 2 i ? d Uani 0.022(7)
H40A H 1.1496 1.4419 0.0405 1.000 2 i ? calc Uiso 0.02600
C41 C 1.310(3) 1.183(3) 0.3474(18) 1.000 2 i ? d Uani 0.020(7)
C42 C 1.184(3) 1.275(3) 0.1838(18) 1.000 2 i ? d Uani 0.017(7)
C43 C 0.944(3) 0.493(3) 0.0904(19) 1.000 2 i ? d Uani 0.024(7)
H43A H 1.0151 0.4945 0.0914 1.000 2 i ? calc Uiso 0.02900
C44 C 0.656(3) 1.012(3) 0.327(2) 1.000 2 i ? d Uani 0.025(7)
H44A H 0.6453 1.0213 0.2772 1.000 2 i ? calc Uiso 0.03000
C45 C 0.694(3) 0.441(3) 0.3387(19) 1.000 2 i ? d Uani 0.024(8)
H45A H 0.6182 0.4240 0.3413 1.000 2 i ? calc Uiso 0.02800
C46 C 1.008(2) 0.864(2) 0.3840(17) 1.000 2 i ? d Uani 0.013(6)
C47 C 1.356(3) 0.817(3) 0.1547(18) 1.000 2 i ? d Uani 0.018(7)
C48 C 0.750(3) 0.970(3) 0.4218(17) 1.000 2 i ? d Uani 0.019(7)
C49 C 1.176(3) 1.342(3) 0.460(2) 1.000 2 i ? d Uani 0.027(8)
H49A H 1.2024 1.3354 0.5092 1.000 2 i ? calc Uiso 0.03200
C50 C 0.731(3) 0.478(3) 0.0967(18) 1.000 2 i ? d Uani 0.019(7)
H50A H 0.6590 0.4716 0.0997 1.000 2 i ? calc Uiso 0.02300
C51 C 0.792(3) 1.083(3) 0.1830(18) 1.000 2 i ? d Uani 0.019(7)
C52 C 0.615(3) 1.035(3) 0.4414(19) 1.000 2 i ? d Uani 0.022(7)
H52A H 0.5789 1.0586 0.4723 1.000 2 i ? calc Uiso 0.02700
C53 C 1.144(3) 0.986(3) 0.0667(19) 1.000 2 i ? d Uani 0.022(7)
H53A H 1.1164 0.9812 0.0156 1.000 2 i ? calc Uiso 0.02600
C54 C 1.463(4) 1.159(3) 0.094(2) 1.000 2 i ? d Uani 0.038(9)
H54A H 1.5188 1.1915 0.0662 1.000 2 i ? calc Uiso 0.04500
C55 C 0.737(3) 0.394(3) 0.0577(19) 1.000 2 i ? d Uani 0.024(7)
H55A H 0.6702 0.3302 0.0330 1.000 2 i ? calc Uiso 0.02900
C56 C 1.490(3) 1.167(3) 0.171(2) 1.000 2 i ? d Uani 0.033(9)
H56A H 1.5675 1.2034 0.1961 1.000 2 i ? calc Uiso 0.04000
C57 C 1.223(4) 1.439(4) 0.437(2) 1.000 2 i ? d Uani 0.039(10)
H57A H 1.2887 1.4972 0.4684 1.000 2 i ? calc Uiso 0.04700
C58 C 0.899(2) 0.858(2) 0.1167(16) 1.000 2 i ? d Uani 0.011(6)
C59 C 1.180(3) 1.457(3) 0.368(2) 1.000 2 i ? d Uani 0.033(9)
H59A H 1.2068 1.5287 0.3573 1.000 2 i ? calc Uiso 0.04000
C60 C 0.774(3) 0.781(3) 0.0872(17) 1.000 2 i ? d Uani 0.017(6)
C61 C 1.074(3) 1.302(3) 0.0785(19) 1.000 2 i ? d Uani 0.020(7)
H61A H 1.0034 1.2769 0.0444 1.000 2 i ? calc Uiso 0.02400
C62 C 0.841(3) 0.405(3) 0.0562(19) 1.000 2 i ? d Uani 0.026(8)
H62A H 0.8437 0.3468 0.0293 1.000 2 i ? calc Uiso 0.03100
C63 C 0.692(3) 0.996(3) 0.4698(19) 1.000 2 i ? d Uani 0.023(7)
H63A H 0.7055 0.9883 0.5201 1.000 2 i ? calc Uiso 0.02800
C64 C 1.258(3) 1.450(3) 0.134(2) 1.000 2 i ? d Uani 0.030(8)
H64A H 1.3138 1.5233 0.1374 1.000 2 i ? calc Uiso 0.03600



loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Dy1 O7 . . 2.34(2) no
Dy1 O4 . . 2.34(2) no
Dy1 O6 . . 2.37(2) no
Dy1 O1 . . 2.376(19) no
Dy1 O10 . . 2.38(2) no
Dy1 O2 . . 2.45(2) no
Dy1 N7 . . 2.52(3) no
Dy1 N3 . . 2.67(2) no
Dy1 N2 . . 2.69(3) no
Dy2 O2 . . 2.32(2) no
Dy2 O8 . . 2.35(2) no
Dy2 O9 . . 2.350(19) no
Dy2 O3 . . 2.36(2) no
Dy2 O5 . . 2.38(2) no
Dy2 O1 . . 2.403(19) no
Dy2 N6 . . 2.49(3) no
Dy2 N5 . . 2.63(3) no
Dy2 N8 . . 2.66(3) no
F1 C47 . . 1.33(4) no
F2 C47 . . 1.29(4) no
F3 C47 . . 1.34(4) no
F4 C10 . . 1.34(4) no
F5 C13 . . 1.35(4) no
F6 C18 . . 1.35(4) no
F7 C13 . . 1.32(4) no
F8 C10 . . 1.32(4) no
F9 C18 . . 1.35(4) no
F10 C18 . . 1.34(4) no
F11 C13 . . 1.39(4) no
F12 C10 . . 1.36(5) no
O1 C46 . . 1.32(4) no
O2 C58 . . 1.34(4) no
O3 C51 . . 1.24(4) no
O4 C35 . . 1.27(4) no
O5 C37 . . 1.32(4) no
O6 C41 . . 1.24(4) no
O7 C36 . . 1.34(4) no
O8 C5 . . 1.28(4) no
O9 C28 . . 1.21(4) no
O10 C25 . . 1.27(4) no
N1 C46 . . 1.33(4) no
N1 N6 . . 1.40(4) no
N2 C12 . . 1.35(4) no
N2 C11 . . 1.43(4) no
N3 C15 . . 1.36(4) no
N3 C14 . . 1.38(4) no
N4 C58 . . 1.29(4) no
N4 N7 . . 1.38(4) no
N5 C20 . . 1.32(4) no
N5 C60 . . 1.38(4) no
N6 C30 . . 1.28(4) no
N7 C53 . . 1.27(4) no
N8 C48 . . 1.32(4) no
N8 C44 . . 1.34(4) no
C1 C39 . . 1.40(6) no
C1 C2 . . 1.46(6) no
C1 H1A . . 0.9500 no
C2 C26 . . 1.41(5) no
C2 H2 . . 0.9500 no
C3 C59 . . 1.41(5) no
C3 C17 . . 1.48(5) no
C3 H3A . . 0.9500 no
C4 C7 . . 1.33(5) no
C4 C9 . . 1.41(4) no
C4 H4A . . 0.9500 no
C5 C21 . . 1.40(5) no
C5 C19 . . 1.47(4) no
C6 C32 . . 1.40(4) no
C6 C43 . . 1.41(5) no
C6 C36 . . 1.52(4) no
C7 C60 . . 1.35(5) no
C7 H7A . . 0.9500 no
C8 C38 . . 1.36(5) no
C8 C14 . . 1.41(4) no
C8 H8A . . 0.9500 no
C9 C20 . . 1.38(5) no
C9 H9A . . 0.9500 no
C10 C37 . . 1.51(5) no
C11 C56 . . 1.31(5) no
C11 H11A . . 0.9500 no
C12 C23 . . 1.37(5) no
C12 C53 . . 1.48(4) no
C13 C51 . . 1.45(5) no
C14 C46 . . 1.52(4) no
C15 C27 . . 1.38(5) no
C15 H15A . . 0.9500 no
C16 C36 . . 1.40(4) no
C16 C35 . . 1.41(4) no
C16 H16A . . 0.9500 no
C17 C24 . . 1.40(5) no
C17 C28 . . 1.54(4) no
C18 C41 . . 1.59(5) no
C19 C26 . . 1.41(4) no
C19 C45 . . 1.41(4) no
C20 H20A . . 0.9500 no
C21 C37 . . 1.39(5) no
C21 H21A . . 0.9500 no
C22 C42 . . 1.38(5) no
C22 C61 . . 1.40(5) no
C22 H22A . . 0.9500 no
C23 C54 . . 1.42(5) no
C23 H23A . . 0.9500 no
C24 C49 . . 1.36(5) no
C24 H24A . . 0.9500 no
C25 C34 . . 1.41(4) no
C25 C42 . . 1.48(4) no
C26 H26A . . 0.9500 no
C27 C38 . . 1.40(5) no
C27 H27A . . 0.9500 no
C28 C29 . . 1.43(4) no
C29 C51 . . 1.40(4) no
C29 H29A . . 0.9500 no
C30 C48 . . 1.47(4) no
C30 H30A . . 0.9500 no
C31 C44 . . 1.33(5) no
C31 C52 . . 1.41(5) no
C31 H31A . . 0.9500 no
C32 C50 . . 1.40(5) no
C32 H32A . . 0.9500 no
C33 C42 . . 1.43(5) no
C33 C64 . . 1.45(5) no
C33 H33A . . 0.9500 no
C34 C41 . . 1.36(5) no
C34 H34A . . 0.9500 no
C35 C47 . . 1.49(4) no
C38 H38A . . 0.9500 no
C39 C45 . . 1.40(5) no
C39 H39A . . 0.9500 no
C40 C61 . . 1.35(5) no
C40 C64 . . 1.40(5) no
C40 H40A . . 0.9500 no
C43 C62 . . 1.39(5) no
C43 H43A . . 0.9500 no
C44 H44A . . 0.9500 no
C45 H45A . . 0.9500 no
C48 C63 . . 1.43(5) no
C49 C57 . . 1.34(6) no
C49 H49A . . 0.9500 no
C50 C55 . . 1.40(5) no
C50 H50A . . 0.9500 no
C52 C63 . . 1.42(5) no
C52 H52A . . 0.9500 no
C53 H53A . . 0.9500 no
C54 C56 . . 1.41(6) no
C54 H54A . . 0.9500 no
C55 C62 . . 1.35(5) no
C55 H55A . . 0.9500 no
C56 H56A . . 0.9500 no
C57 C59 . . 1.40(6) no
C57 H57A . . 0.9500 no
C58 C60 . . 1.51(4) no
C59 H59A . . 0.9500 no
C61 H61A . . 0.9500 no
C62 H62A . . 0.9500 no
C63 H63A . . 0.9500 no
C64 H64A . . 0.9500 no

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O7 Dy1 O4 . . . 70.6(7) no
O7 Dy1 O6 . . . 147.7(7) no
O4 Dy1 O6 . . . 95.4(7) no
O7 Dy1 O1 . . . 84.9(7) no
O4 Dy1 O1 . . . 136.1(7) no
O6 Dy1 O1 . . . 86.3(7) no
O7 Dy1 O10 . . . 139.8(7) no
O4 Dy1 O10 . . . 130.0(7) no
O6 Dy1 O10 . . . 71.5(7) no
O1 Dy1 O10 . . . 92.1(7) no
O7 Dy1 O2 . . . 69.8(7) no
O4 Dy1 O2 . . . 133.5(7) no
O6 Dy1 O2 . . . 131.0(7) no
O1 Dy1 O2 . . . 61.8(6) no
O10 Dy1 O2 . . . 73.6(7) no
O7 Dy1 N7 . . . 76.3(8) no
O4 Dy1 N7 . . . 85.3(8) no
O6 Dy1 N7 . . . 133.0(8) no
O1 Dy1 N7 . . . 124.3(8) no
O10 Dy1 N7 . . . 72.5(8) no
O2 Dy1 N7 . . . 62.5(7) no
O7 Dy1 N3 . . . 74.1(7) no
O4 Dy1 N3 . . . 73.0(7) no
O6 Dy1 N3 . . . 74.0(7) no
O1 Dy1 N3 . . . 65.4(7) no
O10 Dy1 N3 . . . 139.7(7) no
O2 Dy1 N3 . . . 117.1(7) no
N7 Dy1 N3 . . . 147.7(8) no
O7 Dy1 N2 . . . 116.7(8) no
O4 Dy1 N2 . . . 62.1(8) no
O6 Dy1 N2 . . . 78.0(8) no
O1 Dy1 N2 . . . 157.7(8) no
O10 Dy1 N2 . . . 68.0(8) no
O2 Dy1 N2 . . . 118.2(7) no
N7 Dy1 N2 . . . 60.9(9) no
N3 Dy1 N2 . . . 123.7(8) no
O2 Dy2 O8 . . . 87.4(7) no
O2 Dy2 O9 . . . 86.0(7) no
O8 Dy2 O9 . . . 143.1(7) no
O2 Dy2 O3 . . . 84.6(7) no
O8 Dy2 O3 . . . 143.1(8) no
O9 Dy2 O3 . . . 72.1(7) no
O2 Dy2 O5 . . . 140.1(7) no
O8 Dy2 O5 . . . 72.1(8) no
O9 Dy2 O5 . . . 130.5(7) no
O3 Dy2 O5 . . . 91.7(8) no
O2 Dy2 O1 . . . 63.2(7) no
O8 Dy2 O1 . . . 72.6(7) no
O9 Dy2 O1 . . . 72.1(7) no
O3 Dy2 O1 . . . 132.8(7) no
O5 Dy2 O1 . . . 135.2(8) no
O2 Dy2 N6 . . . 124.7(8) no
O8 Dy2 N6 . . . 75.7(8) no
O9 Dy2 N6 . . . 78.5(7) no
O3 Dy2 N6 . . . 136.7(8) no
O5 Dy2 N6 . . . 83.8(8) no
O1 Dy2 N6 . . . 61.5(7) no
O2 Dy2 N5 . . . 65.1(8) no
O8 Dy2 N5 . . . 74.5(8) no
O9 Dy2 N5 . . . 133.3(8) no
O3 Dy2 N5 . . . 69.5(8) no
O5 Dy2 N5 . . . 76.3(8) no
O1 Dy2 N5 . . . 118.7(7) no
N6 Dy2 N5 . . . 148.0(8) no
O2 Dy2 N8 . . . 153.0(8) no
O8 Dy2 N8 . . . 119.0(8) no
O9 Dy2 N8 . . . 69.5(7) no
O3 Dy2 N8 . . . 77.4(8) no
O5 Dy2 N8 . . . 61.3(8) no
O1 Dy2 N8 . . . 116.5(7) no
N6 Dy2 N8 . . . 62.7(8) no
N5 Dy2 N8 . . . 124.6(8) no
C46 O1 Dy1 . . . 124.4(17) no
C46 O1 Dy2 . . . 115.8(17) no
Dy1 O1 Dy2 . . . 116.6(8) no
C58 O2 Dy2 . . . 126.4(17) no
C58 O2 Dy1 . . . 115.8(17) no
Dy2 O2 Dy1 . . . 116.8(8) no
C51 O3 Dy2 . . . 135.(2) no
C35 O4 Dy1 . . . 136.3(18) no
C37 O5 Dy2 . . . 128.5(19) no
C41 O6 Dy1 . . . 132.(2) no
C36 O7 Dy1 . . . 136.0(19) no
C5 O8 Dy2 . . . 139.(2) no
C28 O9 Dy2 . . . 139.(2) no
C25 O10 Dy1 . . . 135.1(19) no
C46 N1 N6 . . . 107.(2) no
C12 N2 C11 . . . 115.(3) no
C12 N2 Dy1 . . . 118.(2) no
C11 N2 Dy1 . . . 126.(2) no
C15 N3 C14 . . . 117.(3) no
C15 N3 Dy1 . . . 126.(2) no
C14 N3 Dy1 . . . 115.9(18) no
C58 N4 N7 . . . 111.(3) no
C20 N5 C60 . . . 117.(3) no
C20 N5 Dy2 . . . 127.(2) no
C60 N5 Dy2 . . . 116.4(19) no
C30 N6 N1 . . . 115.(3) no
C30 N6 Dy2 . . . 125.(2) no
N1 N6 Dy2 . . . 119.5(18) no
C53 N7 N4 . . . 113.(3) no
C53 N7 Dy1 . . . 128.(2) no
N4 N7 Dy1 . . . 118.8(19) no
C48 N8 C44 . . . 116.(3) no
C48 N8 Dy2 . . . 117.(2) no
C44 N8 Dy2 . . . 127.(2) no
C39 C1 C2 . . . 120.(4) no
C39 C1 H1A . . . 119.80 no
C2 C1 H1A . . . 119.80 no
C26 C2 C1 . . . 116.(4) no
C26 C2 H2 . . . 121.90 no
C1 C2 H2 . . . 121.90 no
C59 C3 C17 . . . 114.(3) no
C59 C3 H3A . . . 122.80 no
C17 C3 H3A . . . 122.80 no
C7 C4 C9 . . . 118.(3) no
C7 C4 H4A . . . 121.20 no
C9 C4 H4A . . . 121.20 no
O8 C5 C21 . . . 121.(3) no
O8 C5 C19 . . . 120.(3) no
C21 C5 C19 . . . 119.(3) no
C32 C6 C43 . . . 122.(3) no
C32 C6 C36 . . . 118.(3) no
C43 C6 C36 . . . 120.(3) no
C4 C7 C60 . . . 123.(3) no
C4 C7 H7A . . . 118.60 no
C60 C7 H7A . . . 118.60 no
C38 C8 C14 . . . 117.(3) no
C38 C8 H8A . . . 121.40 no
C14 C8 H8A . . . 121.40 no
C20 C9 C4 . . . 118.(3) no
C20 C9 H9A . . . 121.00 no
C4 C9 H9A . . . 121.00 no
F8 C10 F4 . . . 108.(3) no
F8 C10 F12 . . . 108.(3) no
F4 C10 F12 . . . 106.(3) no
F8 C10 C37 . . . 113.(3) no
F4 C10 C37 . . . 109.(3) no
F12 C10 C37 . . . 113.(3) no
C56 C11 N2 . . . 123.(3) no
C56 C11 H11A . . . 118.70 no
N2 C11 H11A . . . 118.70 no
N2 C12 C23 . . . 123.(3) no
N2 C12 C53 . . . 116.(3) no
C23 C12 C53 . . . 121.(3) no
F7 C13 F5 . . . 104.(3) no
F7 C13 F11 . . . 107.(3) no
F5 C13 F11 . . . 103.(3) no
F7 C13 C51 . . . 116.(3) no
F5 C13 C51 . . . 116.(3) no
F11 C13 C51 . . . 110.(3) no
N3 C14 C8 . . . 123.(3) no
N3 C14 C46 . . . 113.(2) no
C8 C14 C46 . . . 124.(3) no
N3 C15 C27 . . . 123.(3) no
N3 C15 H15A . . . 118.40 no
C27 C15 H15A . . . 118.40 no
C36 C16 C35 . . . 124.(3) no
C36 C16 H16A . . . 117.90 no
C35 C16 H16A . . . 117.90 no
C24 C17 C3 . . . 121.(3) no
C24 C17 C28 . . . 118.(3) no
C3 C17 C28 . . . 121.(3) no
F10 C18 F6 . . . 106.(3) no
F10 C18 F9 . . . 109.(3) no
F6 C18 F9 . . . 107.(3) no
F10 C18 C41 . . . 112.(3) no
F6 C18 C41 . . . 109.(3) no
F9 C18 C41 . . . 113.(3) no
C26 C19 C45 . . . 114.(3) no
C26 C19 C5 . . . 119.(3) no
C45 C19 C5 . . . 126.(3) no
N5 C20 C9 . . . 124.(3) no
N5 C20 H20A . . . 118.10 no
C9 C20 H20A . . . 118.10 no
C37 C21 C5 . . . 123.(3) no
C37 C21 H21A . . . 118.40 no
C5 C21 H21A . . . 118.40 no
C42 C22 C61 . . . 120.(3) no
C42 C22 H22A . . . 120.10 no
C61 C22 H22A . . . 120.10 no
C12 C23 C54 . . . 122.(3) no
C12 C23 H23A . . . 119.10 no
C54 C23 H23A . . . 119.10 no
C49 C24 C17 . . . 121.(3) no
C49 C24 H24A . . . 119.60 no
C17 C24 H24A . . . 119.60 no
O10 C25 C34 . . . 122.(3) no
O10 C25 C42 . . . 114.(3) no
C34 C25 C42 . . . 124.(3) no
C19 C26 C2 . . . 126.(3) no
C19 C26 H26A . . . 117.20 no
C2 C26 H26A . . . 117.20 no
C15 C27 C38 . . . 118.(3) no
C15 C27 H27A . . . 121.10 no
C38 C27 H27A . . . 121.10 no
O9 C28 C29 . . . 124.(3) no
O9 C28 C17 . . . 118.(3) no
C29 C28 C17 . . . 117.(3) no
C51 C29 C28 . . . 122.(3) no
C51 C29 H29A . . . 119.20 no
C28 C29 H29A . . . 119.20 no
N6 C30 C48 . . . 117.(3) no
N6 C30 H30A . . . 121.70 no
C48 C30 H30A . . . 121.70 no
C44 C31 C52 . . . 117.(3) no
C44 C31 H31A . . . 121.40 no
C52 C31 H31A . . . 121.40 no
C50 C32 C6 . . . 118.(3) no
C50 C32 H32A . . . 120.80 no
C6 C32 H32A . . . 120.80 no
C42 C33 C64 . . . 120.(3) no
C42 C33 H33A . . . 120.10 no
C64 C33 H33A . . . 120.10 no
C41 C34 C25 . . . 122.(3) no
C41 C34 H34A . . . 118.90 no
C25 C34 H34A . . . 118.90 no
O4 C35 C16 . . . 124.(3) no
O4 C35 C47 . . . 118.(3) no
C16 C35 C47 . . . 118.(3) no
O7 C36 C16 . . . 122.(3) no
O7 C36 C6 . . . 117.(3) no
C16 C36 C6 . . . 121.(3) no
O5 C37 C21 . . . 129.(3) no
O5 C37 C10 . . . 110.(3) no
C21 C37 C10 . . . 121.(3) no
C8 C38 C27 . . . 122.(3) no
C8 C38 H38A . . . 119.10 no
C27 C38 H38A . . . 119.10 no
C1 C39 C45 . . . 119.(4) no
C1 C39 H39A . . . 120.70 no
C45 C39 H39A . . . 120.70 no
C61 C40 C64 . . . 122.(3) no
C61 C40 H40A . . . 119.20 no
C64 C40 H40A . . . 119.20 no
O6 C41 C34 . . . 131.(3) no
O6 C41 C18 . . . 113.(3) no
C34 C41 C18 . . . 115.(3) no
C22 C42 C33 . . . 119.(3) no
C22 C42 C25 . . . 122.(3) no
C33 C42 C25 . . . 119.(3) no
C62 C43 C6 . . . 115.(3) no
C62 C43 H43A . . . 122.70 no
C6 C43 H43A . . . 122.70 no
C31 C44 N8 . . . 129.(4) no
C31 C44 H44A . . . 115.70 no
N8 C44 H44A . . . 115.70 no
C39 C45 C19 . . . 125.(3) no
C39 C45 H45A . . . 117.70 no
C19 C45 H45A . . . 117.70 no
O1 C46 N1 . . . 124.(3) no
O1 C46 C14 . . . 120.(3) no
N1 C46 C14 . . . 116.(3) no
F2 C47 F1 . . . 105.(3) no
F2 C47 F3 . . . 105.(3) no
F1 C47 F3 . . . 108.(3) no
F2 C47 C35 . . . 113.(3) no
F1 C47 C35 . . . 116.(3) no
F3 C47 C35 . . . 110.(3) no
N8 C48 C63 . . . 122.(3) no
N8 C48 C30 . . . 119.(3) no
C63 C48 C30 . . . 119.(3) no
C57 C49 C24 . . . 120.(4) no
C57 C49 H49A . . . 119.90 no
C24 C49 H49A . . . 119.90 no
C55 C50 C32 . . . 121.(3) no
C55 C50 H50A . . . 119.70 no
C32 C50 H50A . . . 119.70 no
O3 C51 C29 . . . 128.(3) no
O3 C51 C13 . . . 115.(3) no
C29 C51 C13 . . . 117.(3) no
C31 C52 C63 . . . 117.(3) no
C31 C52 H52A . . . 121.60 no
C63 C52 H52A . . . 121.60 no
N7 C53 C12 . . . 116.(3) no
N7 C53 H53A . . . 121.80 no
C12 C53 H53A . . . 121.80 no
C56 C54 C23 . . . 114.(4) no
C56 C54 H54A . . . 123.00 no
C23 C54 H54A . . . 123.00 no
C62 C55 C50 . . . 118.(3) no
C62 C55 H55A . . . 121.00 no
C50 C55 H55A . . . 121.00 no
C11 C56 C54 . . . 123.(4) no
C11 C56 H56A . . . 118.50 no
C54 C56 H56A . . . 118.50 no
C49 C57 C59 . . . 122.(4) no
C49 C57 H57A . . . 118.90 no
C59 C57 H57A . . . 118.90 no
N4 C58 O2 . . . 125.(3) no
N4 C58 C60 . . . 118.(3) no
O2 C58 C60 . . . 117.(2) no
C57 C59 C3 . . . 121.(4) no
C57 C59 H59A . . . 119.60 no
C3 C59 H59A . . . 119.60 no
C7 C60 N5 . . . 121.(3) no
C7 C60 C58 . . . 126.(3) no
N5 C60 C58 . . . 114.(3) no
C40 C61 C22 . . . 122.(3) no
C40 C61 H61A . . . 119.20 no
C22 C61 H61A . . . 119.20 no
C55 C62 C43 . . . 126.(3) no
C55 C62 H62A . . . 117.00 no
C43 C62 H62A . . . 117.00 no
C52 C63 C48 . . . 119.(3) no
C52 C63 H63A . . . 120.40 no
C48 C63 H63A . . . 120.40 no
C40 C64 C33 . . . 117.(3) no
C40 C64 H64A . . . 121.40 no
C33 C64 H64A . . . 121.30 no

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C46 N1 N6 C30 . . . . -160.(3) no
C46 N1 N6 Dy2 . . . . 22.(3) no
C58 N4 N7 C53 . . . . -160.(3) no
C58 N4 N7 Dy1 . . . . 16.(3) no
C39 C1 C2 C26 . . . . -2.(6) no
Dy2 O8 C5 C21 . . . . 13.(5) no
Dy2 O8 C5 C19 . . . . -167.(2) no
C9 C4 C7 C60 . . . . 5.(5) no
C7 C4 C9 C20 . . . . -2.(5) no
C12 N2 C11 C56 . . . . -2.(5) no
Dy1 N2 C11 C56 . . . . 167.(3) no
C11 N2 C12 C23 . . . . -2.(5) no
Dy1 N2 C12 C23 . . . . -172.(2) no
C11 N2 C12 C53 . . . . 179.(3) no
Dy1 N2 C12 C53 . . . . 9.(4) no
C15 N3 C14 C8 . . . . 1.(4) no
Dy1 N3 C14 C8 . . . . 171.(2) no
C15 N3 C14 C46 . . . . -178.(3) no
Dy1 N3 C14 C46 . . . . -7.(3) no
C38 C8 C14 N3 . . . . -1.(5) no
C38 C8 C14 C46 . . . . 178.(3) no
C14 N3 C15 C27 . . . . 1.(5) no
Dy1 N3 C15 C27 . . . . -169.(2) no
C59 C3 C17 C24 . . . . -6.(5) no
C59 C3 C17 C28 . . . . -180.(3) no
O8 C5 C19 C26 . . . . 11.(5) no
C21 C5 C19 C26 . . . . -169.(3) no
O8 C5 C19 C45 . . . . -168.(3) no
C21 C5 C19 C45 . . . . 12.(5) no
C60 N5 C20 C9 . . . . -1.(5) no
Dy2 N5 C20 C9 . . . . 176.(2) no
C4 C9 C20 N5 . . . . 0.(5) no
O8 C5 C21 C37 . . . . 10.(5) no
C19 C5 C21 C37 . . . . -170.(3) no
N2 C12 C23 C54 . . . . 3.(5) no
C53 C12 C23 C54 . . . . -177.(3) no
C3 C17 C24 C49 . . . . 3.(5) no
C28 C17 C24 C49 . . . . 177.(3) no
Dy1 O10 C25 C34 . . . . -28.(4) no
Dy1 O10 C25 C42 . . . . 147.(2) no
C45 C19 C26 C2 . . . . -4.(5) no
C5 C19 C26 C2 . . . . 177.(3) no
C1 C2 C26 C19 . . . . 2.(6) no
N3 C15 C27 C38 . . . . -2.(5) no
Dy2 O9 C28 C29 . . . . -6.(5) no
Dy2 O9 C28 C17 . . . . 171.7(19) no
C24 C17 C28 O9 . . . . -18.(4) no
C3 C17 C28 O9 . . . . 156.(3) no
C24 C17 C28 C29 . . . . 160.(3) no
C3 C17 C28 C29 . . . . -26.(4) no
O9 C28 C29 C51 . . . . 2.(5) no
C17 C28 C29 C51 . . . . -176.(3) no
N1 N6 C30 C48 . . . . 176.(3) no
Dy2 N6 C30 C48 . . . . -7.(4) no
C43 C6 C32 C50 . . . . -9.(5) no
C36 C6 C32 C50 . . . . 177.(3) no
O10 C25 C34 C41 . . . . 5.(5) no
C42 C25 C34 C41 . . . . -170.(3) no
Dy1 O4 C35 C16 . . . . -24.(4) no
Dy1 O4 C35 C47 . . . . 153.(2) no
C36 C16 C35 O4 . . . . -1.(5) no
C36 C16 C35 C47 . . . . -178.(3) no
Dy1 O7 C36 C16 . . . . 18.(4) no
Dy1 O7 C36 C6 . . . . -160.(2) no
C35 C16 C36 O7 . . . . 3.(5) no
C35 C16 C36 C6 . . . . -178.(3) no
C32 C6 C36 O7 . . . . 7.(4) no
C43 C6 C36 O7 . . . . -167.(3) no
C32 C6 C36 C16 . . . . -171.(3) no
C43 C6 C36 C16 . . . . 14.(5) no
Dy2 O5 C37 C21 . . . . -21.(5) no
Dy2 O5 C37 C10 . . . . 159.(2) no
C5 C21 C37 O5 . . . . -5.(6) no
C5 C21 C37 C10 . . . . 176.(3) no
F8 C10 C37 O5 . . . . -169.(3) no
F4 C10 C37 O5 . . . . 71.(4) no
F12 C10 C37 O5 . . . . -46.(4) no
F8 C10 C37 C21 . . . . 11.(5) no
F4 C10 C37 C21 . . . . -109.(4) no
F12 C10 C37 C21 . . . . 133.(3) no
C14 C8 C38 C27 . . . . -1.(5) no
C15 C27 C38 C8 . . . . 2.(5) no
C2 C1 C39 C45 . . . . 4.(6) no
Dy1 O6 C41 C34 . . . . 6.(5) no
Dy1 O6 C41 C18 . . . . -176.6(19) no
C25 C34 C41 O6 . . . . 6.(6) no
C25 C34 C41 C18 . . . . -171.(3) no
F10 C18 C41 O6 . . . . -66.(4) no
F6 C18 C41 O6 . . . . 51.(4) no
F9 C18 C41 O6 . . . . 170.(3) no
F10 C18 C41 C34 . . . . 112.(3) no
F6 C18 C41 C34 . . . . -131.(3) no
F9 C18 C41 C34 . . . . -12.(4) no
C61 C22 C42 C33 . . . . -8.(5) no
C61 C22 C42 C25 . . . . 175.(3) no
C64 C33 C42 C22 . . . . 6.(5) no
C64 C33 C42 C25 . . . . -177.(3) no
O10 C25 C42 C22 . . . . 12.(4) no
C34 C25 C42 C22 . . . . -173.(3) no
O10 C25 C42 C33 . . . . -165.(3) no
C34 C25 C42 C33 . . . . 10.(5) no
C32 C6 C43 C62 . . . . 10.(5) no
C36 C6 C43 C62 . . . . -176.(3) no
C52 C31 C44 N8 . . . . 6.(6) no
C48 N8 C44 C31 . . . . -4.(5) no
Dy2 N8 C44 C31 . . . . 165.(3) no
C1 C39 C45 C19 . . . . -6.(6) no
C26 C19 C45 C39 . . . . 6.(5) no
C5 C19 C45 C39 . . . . -176.(3) no
Dy1 O1 C46 N1 . . . . 169.(2) no
Dy2 O1 C46 N1 . . . . -32.(4) no
Dy1 O1 C46 C14 . . . . -11.(4) no
Dy2 O1 C46 C14 . . . . 148.(2) no
N6 N1 C46 O1 . . . . 6.(4) no
N6 N1 C46 C14 . . . . -174.(2) no
N3 C14 C46 O1 . . . . 12.(4) no
C8 C14 C46 O1 . . . . -167.(3) no
N3 C14 C46 N1 . . . . -168.(3) no
C8 C14 C46 N1 . . . . 13.(4) no
O4 C35 C47 F2 . . . . 44.(4) no
C16 C35 C47 F2 . . . . -139.(3) no
O4 C35 C47 F1 . . . . 164.(3) no
C16 C35 C47 F1 . . . . -18.(4) no
O4 C35 C47 F3 . . . . -74.(4) no
C16 C35 C47 F3 . . . . 104.(3) no
C44 N8 C48 C63 . . . . 2.(5) no
Dy2 N8 C48 C63 . . . . -169.(3) no
C44 N8 C48 C30 . . . . 177.(3) no
Dy2 N8 C48 C30 . . . . 6.(4) no
N6 C30 C48 N8 . . . . 0.(4) no
N6 C30 C48 C63 . . . . 175.(3) no
C17 C24 C49 C57 . . . . -3.(6) no
C6 C32 C50 C55 . . . . 2.(5) no
Dy2 O3 C51 C29 . . . . -3.(5) no
Dy2 O3 C51 C13 . . . . 177.(2) no
C28 C29 C51 O3 . . . . 2.(5) no
C28 C29 C51 C13 . . . . -178.(3) no
F7 C13 C51 O3 . . . . 26.(5) no
F5 C13 C51 O3 . . . . 148.(3) no
F11 C13 C51 O3 . . . . -95.(3) no
F7 C13 C51 C29 . . . . -154.(3) no
F5 C13 C51 C29 . . . . -31.(4) no
F11 C13 C51 C29 . . . . 86.(4) no
C44 C31 C52 C63 . . . . -6.(5) no
N4 N7 C53 C12 . . . . 178.(3) no
Dy1 N7 C53 C12 . . . . 3.(4) no
N2 C12 C53 N7 . . . . -8.(4) no
C23 C12 C53 N7 . . . . 172.(3) no
C12 C23 C54 C56 . . . . -1.(6) no
C32 C50 C55 C62 . . . . 2.(5) no
N2 C11 C56 C54 . . . . 5.(6) no
C23 C54 C56 C11 . . . . -3.(6) no
C24 C49 C57 C59 . . . . 7.(6) no
N7 N4 C58 O2 . . . . 5.(4) no
N7 N4 C58 C60 . . . . -171.(3) no
Dy2 O2 C58 N4 . . . . 168.(2) no
Dy1 O2 C58 N4 . . . . -24.(4) no
Dy2 O2 C58 C60 . . . . -16.(3) no
Dy1 O2 C58 C60 . . . . 153.(2) no
C49 C57 C59 C3 . . . . -11.(6) no
C17 C3 C59 C57 . . . . 10.(5) no
C4 C7 C60 N5 . . . . -5.(5) no
C4 C7 C60 C58 . . . . 177.(3) no
C20 N5 C60 C7 . . . . 3.(5) no
Dy2 N5 C60 C7 . . . . -174.(3) no
C20 N5 C60 C58 . . . . -179.(3) no
Dy2 N5 C60 C58 . . . . 4.(3) no
N4 C58 C60 C7 . . . . 1.(5) no
O2 C58 C60 C7 . . . . -176.(3) no
N4 C58 C60 N5 . . . . -177.(3) no
O2 C58 C60 N5 . . . . 6.(4) no
C64 C40 C61 C22 . . . . -9.(5) no
C42 C22 C61 C40 . . . . 9.(5) no
C50 C55 C62 C43 . . . . 0.(6) no
C6 C43 C62 C55 . . . . -6.(5) no
C31 C52 C63 C48 . . . . 5.(5) no
N8 C48 C63 C52 . . . . -3.(5) no
C30 C48 C63 C52 . . . . -177.(3) no
C61 C40 C64 C33 . . . . 7.(5) no
C42 C33 C64 C40 . . . . -5.(5) no
####################################################################### 
# 
# 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_ww
_database_code_depnum_ccdc_archive 'CCDC 1875515'
loop_
_audit_author_name
_audit_author_address
'Peipei Cen'
;Chang`an District, Xi`an, Shanxi,China
China
;
_audit_update_record             
;
2018-10-26 deposited with the CCDC.	2019-12-13 downloaded from the CCDC.
;
_audit_creation_date             2017-07-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56 H34 Dy2 F12 N8 O10 S4'
_chemical_formula_sum            'C56 H34 Dy2 F12 N8 O10 S4'
_chemical_formula_weight         1660.19
_chemical_absolute_configuration ?
_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 0.0180 0.0090 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8050 9.8480 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0730 0.0530 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0310 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0490 0.0320 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3330 0.5570 '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      trigonal
_space_group_IT_number           144
_space_group_name_H-M_alt        'P 31'
_space_group_name_Hall           'P 31'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'

_cell_length_a                   13.6044(4)
_cell_length_b                   13.6044(4)
_cell_length_c                   28.6443(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     4591.2(3)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    3385
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      72.5970
_cell_measurement_theta_min      4.0270
_shelx_estimated_absorpt_T_max   0.184
_shelx_estimated_absorpt_T_min   0.162
_exptl_absorpt_coefficient_mu    15.077
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58308
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2430
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0611
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            9825
_diffrn_reflns_point_group_measured_fraction_full 0.564
_diffrn_reflns_point_group_measured_fraction_max 0.564
_diffrn_reflns_theta_full        65.929
_diffrn_reflns_theta_max         65.929
_diffrn_reflns_theta_min         3.752
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6525
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -82.00  21.00   1.00    1.00    --  -41.14  19.00  60.00  103
  2  ω     33.00 121.00   1.00    1.24    --  106.40-125.00 150.00   88
  3  ω     33.00  84.00   1.00    1.24    --  106.40 -45.00-120.00   51
  4  ω    106.00 132.00   1.00    1.24    --  106.40 -45.00-120.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1283225000
_diffrn_orient_matrix_UB_12      -0.0716441000
_diffrn_orient_matrix_UB_13      -0.0096208000
_diffrn_orient_matrix_UB_21      -0.0202952000
_diffrn_orient_matrix_UB_22      0.0830413000
_diffrn_orient_matrix_UB_23      0.0293699000
_diffrn_orient_matrix_UB_31      0.0146001000
_diffrn_orient_matrix_UB_32      0.0712268000
_diffrn_orient_matrix_UB_33      -0.0440188000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.133
_reflns_Friedel_fraction_full    0.133
_reflns_Friedel_fraction_max     0.133
_reflns_number_gt                5658
_reflns_number_total             6012
_reflns_odcompleteness_completeness 88.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_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       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.742
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.105
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.001(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     844
_refine_ls_number_reflns         6012
_refine_ls_number_restraints     119
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0417
_refine_ls_restrained_S_all      1.041
_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)+(0.0595P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1058
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 S1-C1 = S1-C4 = S1A-C2 = S1A-C4
 1.68 with sigma of 0.01
 C1-C2 = C2-C3 = C3-C4 = C3A-C4 = C3A-C1
 1.4 with sigma of 0.01
 C1-C3 = C2-C4 = C2-C3A
 2.25 with sigma of 0.02
 C25-S4 = C28-S4 = C26-S4A
 1.68 with sigma of 0.02
 C25-C26 = C26-C27 = C27-C28 = C25-C27A = C27A-C28
 1.4 with sigma of 0.02
 C25-C27 = C26-C28 = C26-C27A
 2.25 with sigma of 0.02
 S2-C9 = S2-C12 = S2A-C10
 1.68 with sigma of 0.01
 C9-C10 = C10-C11 = C11-C12 = C9-C11A = C11A-C12
 1.4 with sigma of 0.01
 C9-C11 = C10-C12 = C11A-C10
 2.25 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(S1A) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(S1) \\sim
Ueq, Uanis(C3) \\sim Ueq, Uanis(C3A) \\sim Ueq, Uanis(C11) \\sim Ueq,
Uanis(C11A) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C27A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C3) \\sim Ueq, Uanis(C3A) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C26)
\\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C9) \\sim Ueq,
Uanis(C10) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C27A) = Uanis(C27)
Uanis(C11A) = Uanis(C11)
Uanis(S2A) = Uanis(C11) = Uanis(C11A) = Uanis(S2)
Uanis(S2A) = Uanis(S2)
Uanis(S1) = Uanis(C3A) = Uanis(C3) = Uanis(S1A)
4. Others
 Sof(C3A)=Sof(H3A)=Sof(S1A)=Sof(H2B)=Sof(H1B)=1-FVAR(1)
 Sof(S1)=Sof(C3)=Sof(H3)=Sof(H2A)=Sof(H1A)=FVAR(1)
 Sof(S4A)=Sof(C27A)=Sof(H27A)=Sof(H25A)=Sof(H26A)=1-FVAR(2)
 Sof(S4)=Sof(C27)=Sof(H27)=Sof(H25)=Sof(H26)=FVAR(2)
 Sof(S2A)=Sof(C11A)=Sof(H11A)=Sof(H10A)=Sof(H9B)=1-FVAR(3)
 Sof(S2)=Sof(C11)=Sof(H11)=Sof(H10)=Sof(H9A)=FVAR(3)
5.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C3A(H3A), C11(H11), C11A(H11A), C27(H27), C27A(H27A), C2(H2A),
 C2(H2B), C1(H1A), C1(H1B), C6(H6), C10(H10), C10(H10A), C9(H9A), C9(H9B),
 C14(H14), C17(H17), C18(H18), C19(H19), C22(H22), C45(H45), C44(H44), C43(H43),
  C42(H42), C40(H40), C36(H36), C35(H35), C34(H34), C33(H33), C58(H58),
 C57(H57), C56(H56), C55(H55), C51(H51), C49(H49), C48(H48), C47(H47), C46(H46),
  C25(H25), C25(H25A), C26(H26), C26(H26A), C30(H30)
;
_atom_sites_solution_hydrogens   geom
_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 -0.90736(5) -0.08599(5) 0.20228(2) 0.02481(14) Uani 1 1 d . . . . .
Dy2 Dy -0.59471(5) 0.18198(5) 0.22737(2) 0.02491(14) Uani 1 1 d . . . . .
S1 S -0.4446(6) -0.1603(7) 0.2770(3) 0.0391(9) Uani 0.434(7) 1 d D U P A 1
C3 C -0.602(3) -0.147(3) 0.3194(9) 0.0391(9) Uani 0.434(7) 1 d D U P A 1
H3 H -0.6553 -0.1260 0.3268 0.047 Uiso 0.434(7) 1 calc R . P A 1
C3A C -0.477(2) -0.1694(19) 0.2838(6) 0.0391(9) Uani 0.566(7) 1 d D U P A 2
H3A H -0.4270 -0.1679 0.2613 0.047 Uiso 0.566(7) 1 calc R . P A 2
S1A S -0.6171(6) -0.1304(5) 0.3261(2) 0.0391(9) Uani 0.566(7) 1 d D U P A 2
S2 S -0.7841(3) 0.4535(4) 0.3227(2) 0.0470(10) Uani 0.824(9) 1 d D . P B 1
C11 C -0.9016(10) 0.2652(13) 0.2819(7) 0.0470(10) Uani 0.824(9) 1 d D U P B 1
H11 H -0.9222 0.1999 0.2646 0.056 Uiso 0.824(9) 1 calc R . P B 1
S2A S -0.9045(16) 0.2472(18) 0.2721(8) 0.0470(10) Uani 0.176(9) 1 d D . P B 2
C11A C -0.8092(15) 0.423(6) 0.317(4) 0.0470(10) Uani 0.176(9) 1 d D U P B 2
H11A H -0.7500 0.4913 0.3285 0.056 Uiso 0.176(9) 1 calc R . P B 2
S3 S -0.8433(3) 0.3083(3) 0.15180(12) 0.0509(8) Uani 1 1 d . . . . .
S4 S -0.6489(4) -0.2216(5) 0.14011(17) 0.0556(17) Uani 0.784(15) 1 d D . P C 1
C27 C -0.6802(18) -0.3631(17) 0.2036(7) 0.040(6) Uani 0.784(15) 1 d D U P C 1
H27 H -0.7064 -0.4063 0.2307 0.048 Uiso 0.784(15) 1 calc R . P C 1
S4A S -0.699(2) -0.3956(19) 0.2141(7) 0.046(6) Uani 0.216(15) 1 d D . P C 2
C27A C -0.636(6) -0.232(5) 0.152(2) 0.040(6) Uani 0.216(15) 1 d D U P C 2
H27A H -0.6235 -0.1650 0.1387 0.048 Uiso 0.216(15) 1 calc R . P C 2
F1 F -0.3092(9) 0.0543(9) 0.1318(4) 0.092(4) Uani 1 1 d . . . . .
F2 F -0.2818(10) 0.2205(8) 0.1268(5) 0.109(5) Uani 1 1 d . . . . .
F3 F -0.4252(13) 0.0865(13) 0.0952(3) 0.119(5) Uani 1 1 d . . . . .
F4 F -0.2892(8) 0.5821(9) 0.2440(5) 0.121(5) Uani 1 1 d . . . . .
F5 F -0.3257(11) 0.5370(10) 0.3117(5) 0.138(6) Uani 1 1 d . . . . .
F6 F -0.3682(7) 0.6474(7) 0.2840(5) 0.106(4) Uani 1 1 d . . . . .
F7 F -1.3081(6) -0.1870(8) 0.1042(3) 0.072(3) Uani 1 1 d . . . . .
F8 F -1.3323(7) -0.2447(10) 0.1751(3) 0.099(4) Uani 1 1 d . . . . .
F9 F -1.2603(8) -0.3085(8) 0.1255(4) 0.085(3) Uani 1 1 d . . . . .
F10 F -1.0732(9) -0.3895(11) 0.3262(4) 0.123(5) Uani 1 1 d . . . . .
F11 F -0.9207(12) -0.3841(11) 0.3449(3) 0.118(5) Uani 1 1 d . . . . .
F12 F -0.9414(11) -0.2469(8) 0.3556(3) 0.093(3) Uani 1 1 d . . . . .
O1 O -0.5858(6) 0.0216(6) 0.2517(2) 0.0280(15) Uani 1 1 d . . . . .
O2 O -0.4683(6) 0.1639(6) 0.1782(2) 0.0318(16) Uani 1 1 d . . . . .
O3 O -1.0939(6) -0.1550(6) 0.1815(3) 0.0315(16) Uani 1 1 d . . . . .
O4 O -0.9305(6) 0.0680(6) 0.1758(2) 0.0302(15) Uani 1 1 d . . . . .
O5 O -0.4707(6) 0.3792(6) 0.2377(3) 0.0297(15) Uani 1 1 d . . . . .
O6 O -0.7013(6) 0.2720(6) 0.2436(3) 0.0321(16) Uani 1 1 d . . . . .
O7 O -0.7915(6) -0.1670(6) 0.1960(2) 0.0295(15) Uani 1 1 d . . . . .
O8 O -0.9562(6) -0.2171(6) 0.2621(3) 0.0333(17) Uani 1 1 d . . . . .
O25 O -0.7787(5) 0.0436(5) 0.2570(2) 0.0209(13) Uani 1 1 d . . . . .
O35 O -0.7287(5) 0.0646(5) 0.1710(2) 0.0226(14) Uani 1 1 d . . . . .
N1 N -0.9979(7) -0.0427(7) 0.2730(3) 0.0289(18) Uani 1 1 d . . . . .
N2 N -0.6228(7) 0.1650(7) 0.3139(3) 0.0297(19) Uani 1 1 d . . . . .
N3 N -0.4143(8) 0.2433(8) 0.2809(3) 0.036(2) Uani 1 1 d . . . . .
N4 N -1.0067(7) -0.2850(8) 0.1565(3) 0.0324(19) Uani 1 1 d . . . . .
N5 N -0.8686(7) -0.0851(8) 0.1167(3) 0.0295(19) Uani 1 1 d . . . . .
N6 N -0.5867(7) 0.2793(7) 0.1482(3) 0.0247(18) Uani 1 1 d . . . . .
C2 C -0.5860(11) -0.2236(10) 0.3469(4) 0.059(4) Uani 1 1 d D U . . .
H2A H -0.6232 -0.2583 0.3745 0.071 Uiso 0.434(7) 1 calc R . P A 1
H2B H -0.6228 -0.2667 0.3731 0.071 Uiso 0.566(7) 1 calc R . P A 2
C1 C -0.5038(11) -0.2364(10) 0.3244(4) 0.052(3) Uani 1 1 d D U . . .
H1A H -0.4820 -0.2869 0.3356 0.063 Uiso 0.434(7) 1 calc R . P A 1
H1B H -0.4725 -0.2802 0.3339 0.063 Uiso 0.566(7) 1 calc R . P A 2
C4 C -0.5313(8) -0.1047(9) 0.2799(3) 0.039(3) Uani 1 1 d D . . . .
C5 C -0.5192(8) -0.0174(8) 0.2455(3) 0.025(2) Uani 1 1 d . . . . .
C6 C -0.4445(9) 0.0153(9) 0.2074(4) 0.032(2) Uani 1 1 d . . . . .
H6 H -0.4040 -0.0223 0.2027 0.039 Uiso 1 1 calc R . . . .
C7 C -0.4278(8) 0.0990(9) 0.1769(4) 0.030(2) Uani 1 1 d . . . . .
C8 C -0.3565(14) 0.1170(12) 0.1331(5) 0.059(4) Uani 1 1 d . . . . .
C10 C -0.9794(9) 0.2849(10) 0.3053(5) 0.066(4) Uani 1 1 d D U . . .
H10 H -1.0576 0.2368 0.3047 0.079 Uiso 0.824(9) 1 calc R . P B 1
H10A H -1.0577 0.2387 0.3076 0.079 Uiso 0.176(9) 1 calc R . P B 2
C9 C -0.9243(8) 0.3854(10) 0.3293(5) 0.063(4) Uani 1 1 d D U . . .
H9A H -0.9618 0.4129 0.3475 0.075 Uiso 0.824(9) 1 calc R . P B 1
H9B H -0.9540 0.4195 0.3483 0.075 Uiso 0.176(9) 1 calc R . P B 2
C12 C -0.7893(8) 0.3529(8) 0.2869(4) 0.039(3) Uani 1 1 d D . . . .
C13 C -0.6842(9) 0.3553(9) 0.2670(4) 0.033(2) Uani 1 1 d . . . . .
C14 C -0.5760(10) 0.4473(10) 0.2789(4) 0.039(3) Uani 1 1 d . . . . .
H14 H -0.5699 0.5045 0.2985 0.046 Uiso 1 1 calc R . . . .
C15 C -0.4795(9) 0.4516(9) 0.2612(3) 0.030(2) Uani 1 1 d . . . . .
C16 C -0.3634(10) 0.5570(10) 0.2750(5) 0.044(3) Uani 1 1 d . . . . .
C17 C -0.8709(15) 0.3955(13) 0.1185(6) 0.066(4) Uani 1 1 d . . . . .
H17 H -0.8225 0.4737 0.1178 0.079 Uiso 1 1 calc R . . . .
C18 C -0.9645(13) 0.3456(13) 0.0940(6) 0.063(4) Uani 1 1 d . . . . .
H18 H -0.9881 0.3827 0.0735 0.075 Uiso 1 1 calc R . . . .
C19 C -1.0255(11) 0.2264(11) 0.1030(5) 0.047(3) Uani 1 1 d . . . . .
H19 H -1.0949 0.1763 0.0893 0.057 Uiso 1 1 calc R . . . .
C20 C -0.9694(9) 0.1938(10) 0.1344(4) 0.035(2) Uani 1 1 d . . . . .
C21 C -0.9996(9) 0.0789(9) 0.1507(4) 0.034(2) Uani 1 1 d . . . . .
C22 C -1.1044(10) -0.0141(10) 0.1361(4) 0.035(2) Uani 1 1 d . . . . .
H22 H -1.1482 -0.0021 0.1144 0.043 Uiso 1 1 calc R . . . .
C23 C -1.1432(8) -0.1222(10) 0.1532(4) 0.034(2) Uani 1 1 d . . . . .
C24 C -1.2617(10) -0.2154(13) 0.1386(5) 0.054(4) Uani 1 1 d . . . . .
C45 C -0.3079(9) 0.2918(10) 0.2643(4) 0.039(3) Uani 1 1 d . . . . .
H45 H -0.2968 0.2933 0.2322 0.047 Uiso 1 1 calc R . . . .
C44 C -0.2123(10) 0.3404(11) 0.2940(5) 0.051(3) Uani 1 1 d . . . . .
H44 H -0.1396 0.3744 0.2814 0.062 Uiso 1 1 calc R . . . .
C43 C -0.2265(10) 0.3375(11) 0.3405(5) 0.050(3) Uani 1 1 d . . . . .
H43 H -0.1645 0.3664 0.3606 0.060 Uiso 1 1 calc R . . . .
C42 C -0.3355(10) 0.2905(10) 0.3577(4) 0.040(3) Uani 1 1 d . . . . .
H42 H -0.3477 0.2900 0.3897 0.049 Uiso 1 1 calc R . . . .
C41 C -0.4264(10) 0.2444(9) 0.3273(4) 0.036(2) Uani 1 1 d . . . . .
C40 C -0.5435(9) 0.1934(9) 0.3442(4) 0.031(2) Uani 1 1 d . . . . .
H40 H -0.5599 0.1820 0.3759 0.037 Uiso 1 1 calc R . . . .
N8 N -0.7343(7) 0.1143(8) 0.3331(3) 0.033(2) Uani 1 1 d . . . . .
C38 C -0.8067(8) 0.0561(8) 0.2992(3) 0.0232(19) Uani 1 1 d . . . . .
C37 C -0.9291(8) 0.0053(8) 0.3098(3) 0.024(2) Uani 1 1 d . . . . .
C36 C -0.9677(9) 0.0155(9) 0.3536(4) 0.034(2) Uani 1 1 d . . . . .
H36 H -0.9171 0.0523 0.3779 0.041 Uiso 1 1 calc R . . . .
C35 C -1.0810(10) -0.0296(10) 0.3599(4) 0.043(3) Uani 1 1 d . . . . .
H35 H -1.1092 -0.0262 0.3891 0.051 Uiso 1 1 calc R . . . .
C34 C -1.1537(9) -0.0802(10) 0.3233(4) 0.039(3) Uani 1 1 d . . . . .
H34 H -1.2313 -0.1097 0.3270 0.047 Uiso 1 1 calc R . . . .
C33 C -1.1088(9) -0.0868(9) 0.2802(4) 0.032(2) Uani 1 1 d . . . . .
H33 H -1.1584 -0.1233 0.2555 0.038 Uiso 1 1 calc R . . . .
C58 C -0.5234(9) 0.3900(9) 0.1367(4) 0.033(2) Uani 1 1 d . . . . .
H58 H -0.4763 0.4400 0.1596 0.039 Uiso 1 1 calc R . . . .
C57 C -0.5241(10) 0.4338(10) 0.0936(4) 0.040(3) Uani 1 1 d . . . . .
H57 H -0.4791 0.5112 0.0879 0.048 Uiso 1 1 calc R . . . .
C56 C -0.5932(9) 0.3609(10) 0.0585(4) 0.039(3) Uani 1 1 d . . . . .
H56 H -0.5965 0.3887 0.0293 0.047 Uiso 1 1 calc R . . . .
C55 C -0.6575(10) 0.2447(10) 0.0685(4) 0.036(2) Uani 1 1 d . . . . .
H55 H -0.7016 0.1925 0.0457 0.044 Uiso 1 1 calc R . . . .
C54 C -0.6530(8) 0.2111(8) 0.1128(3) 0.026(2) Uani 1 1 d . . . . .
C53 C -0.7279(8) 0.0903(8) 0.1284(3) 0.0209(19) Uani 1 1 d . . . . .
N7 N -0.7936(8) 0.0195(8) 0.0957(3) 0.036(2) Uani 1 1 d . . . . .
C51 C -0.9097(9) -0.1715(9) 0.0903(4) 0.032(2) Uani 1 1 d . . . . .
H51 H -0.8912 -0.1638 0.0588 0.038 Uiso 1 1 calc R . . . .
C50 C -0.9858(10) -0.2826(10) 0.1099(4) 0.034(2) Uani 1 1 d . . . . .
C49 C -1.0354(10) -0.3820(10) 0.0831(4) 0.042(3) Uani 1 1 d . . . . .
H49 H -1.0202 -0.3778 0.0513 0.051 Uiso 1 1 calc R . . . .
C48 C -1.1063(10) -0.4857(10) 0.1032(5) 0.049(3) Uani 1 1 d . . . . .
H48 H -1.1379 -0.5527 0.0860 0.059 Uiso 1 1 calc R . . . .
C47 C -1.1281(11) -0.4851(9) 0.1500(4) 0.044(3) Uani 1 1 d . . . . .
H47 H -1.1772 -0.5532 0.1648 0.052 Uiso 1 1 calc R . . . .
C46 C -1.0792(10) -0.3865(10) 0.1755(4) 0.042(3) Uani 1 1 d . . . . .
H46 H -1.0968 -0.3899 0.2070 0.050 Uiso 1 1 calc R . . . .
C25 C -0.5815(12) -0.2945(12) 0.1371(5) 0.066(4) Uani 1 1 d D U . . .
H25 H -0.5304 -0.2837 0.1134 0.079 Uiso 0.784(15) 1 calc R . P C 1
H25A H -0.5396 -0.2844 0.1101 0.079 Uiso 0.216(15) 1 calc R . P C 2
C26 C -0.6070(12) -0.3726(13) 0.1726(5) 0.072(4) Uani 1 1 d D U . . .
H26 H -0.5797 -0.4229 0.1752 0.086 Uiso 0.784(15) 1 calc R . P C 1
H26A H -0.5698 -0.4144 0.1729 0.086 Uiso 0.216(15) 1 calc R . P C 2
C28 C -0.7108(8) -0.2842(9) 0.1909(4) 0.037(3) Uani 1 1 d D . . . .
C29 C -0.7858(9) -0.2490(9) 0.2148(4) 0.032(2) Uani 1 1 d . . . . .
C30 C -0.8441(10) -0.3028(9) 0.2554(4) 0.035(2) Uani 1 1 d . . . . .
H30 H -0.8329 -0.3593 0.2682 0.042 Uiso 1 1 calc R . . . .
C31 C -0.9171(9) -0.2761(8) 0.2773(4) 0.029(2) Uani 1 1 d . . . . .
C32 C -0.9630(11) -0.3242(10) 0.3268(4) 0.041(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O3 2.302(7) . ?
Dy1 O4 2.392(7) . ?
Dy1 O7 2.338(7) . ?
Dy1 O8 2.319(7) . ?
Dy1 O25 2.353(6) . ?
Dy1 O35 2.434(6) . ?
Dy1 N1 2.588(9) . ?
Dy1 N4 2.686(9) . ?
Dy1 N5 2.505(8) . ?
Dy2 O1 2.350(6) . ?
Dy2 O2 2.330(6) . ?
Dy2 O5 2.367(7) . ?
Dy2 O6 2.364(7) . ?
Dy2 O25 2.412(6) . ?
Dy2 O35 2.359(6) . ?
Dy2 N2 2.501(9) . ?
Dy2 N3 2.650(10) . ?
Dy2 N6 2.600(8) . ?
S1 C1 1.652(9) . ?
S1 C4 1.692(8) . ?
C3 H3 0.9300 . ?
C3 C2 1.404(10) . ?
C3 C4 1.406(11) . ?
C3A H3A 0.9300 . ?
C3A C1 1.407(10) . ?
C3A C4 1.409(11) . ?
S1A C2 1.636(9) . ?
S1A C4 1.681(8) . ?
S2 C9 1.663(9) . ?
S2 C12 1.682(8) . ?
C11 H11 0.9300 . ?
C11 C10 1.386(10) . ?
C11 C12 1.399(10) . ?
S2A C10 1.652(10) . ?
S2A C12 1.57(3) . ?
C11A H11A 0.9300 . ?
C11A C9 1.425(11) . ?
C11A C12 1.415(11) . ?
S3 C17 1.703(15) . ?
S3 C20 1.716(12) . ?
S4 C25 1.655(13) . ?
S4 C28 1.683(12) . ?
C27 H27 0.9300 . ?
C27 C26 1.388(16) . ?
C27 C28 1.381(16) . ?
S4A C26 1.643(18) . ?
S4A C28 1.73(2) . ?
C27A H27A 0.9300 . ?
C27A C25 1.445(19) . ?
C27A C28 1.42(2) . ?
F1 C8 1.301(15) . ?
F2 C8 1.273(17) . ?
F3 C8 1.36(2) . ?
F4 C16 1.256(16) . ?
F5 C16 1.257(17) . ?
F6 C16 1.289(14) . ?
F7 C24 1.328(15) . ?
F8 C24 1.339(16) . ?
F9 C24 1.329(18) . ?
F10 C32 1.305(15) . ?
F11 C32 1.317(15) . ?
F12 C32 1.250(15) . ?
O1 C5 1.271(12) . ?
O2 C7 1.253(12) . ?
O3 C23 1.266(13) . ?
O4 C21 1.249(13) . ?
O5 C15 1.247(12) . ?
O6 C13 1.235(13) . ?
O7 C29 1.277(12) . ?
O8 C31 1.242(12) . ?
O25 C38 1.305(11) . ?
O35 C53 1.268(11) . ?
N1 C37 1.342(13) . ?
N1 C33 1.331(13) . ?
N2 C40 1.283(13) . ?
N2 N8 1.425(12) . ?
N3 C45 1.342(15) . ?
N3 C41 1.341(15) . ?
N4 C50 1.360(14) . ?
N4 C46 1.347(14) . ?
N5 N7 1.406(12) . ?
N5 C51 1.269(13) . ?
N6 C58 1.350(13) . ?
N6 C54 1.365(13) . ?
C2 H2A 0.9300 . ?
C2 H2B 0.9300 . ?
C2 C1 1.375(10) . ?
C1 H1A 0.9300 . ?
C1 H1B 0.9300 . ?
C4 C5 1.489(13) . ?
C5 C6 1.403(15) . ?
C6 H6 0.9300 . ?
C6 C7 1.362(15) . ?
C7 C8 1.527(16) . ?
C10 H10 0.9300 . ?
C10 H10A 0.9300 . ?
C10 C9 1.371(10) . ?
C9 H9A 0.9300 . ?
C9 H9B 0.9300 . ?
C12 C13 1.524(13) . ?
C13 C14 1.417(16) . ?
C14 H14 0.9300 . ?
C14 C15 1.381(15) . ?
C15 C16 1.563(14) . ?
C17 H17 0.9300 . ?
C17 C18 1.31(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.427(19) . ?
C19 H19 0.9300 . ?
C19 C20 1.389(16) . ?
C20 C21 1.479(14) . ?
C21 C22 1.416(16) . ?
C22 H22 0.9300 . ?
C22 C23 1.381(16) . ?
C23 C24 1.528(15) . ?
C45 H45 0.9300 . ?
C45 C44 1.411(16) . ?
C44 H44 0.9300 . ?
C44 C43 1.345(19) . ?
C43 H43 0.9300 . ?
C43 C42 1.379(17) . ?
C42 H42 0.9300 . ?
C42 C41 1.381(15) . ?
C41 C40 1.466(16) . ?
C40 H40 0.9300 . ?
N8 C38 1.326(13) . ?
C38 C37 1.480(13) . ?
C37 C36 1.393(14) . ?
C36 H36 0.9300 . ?
C36 C35 1.356(15) . ?
C35 H35 0.9300 . ?
C35 C34 1.367(17) . ?
C34 H34 0.9300 . ?
C34 C33 1.401(15) . ?
C33 H33 0.9300 . ?
C58 H58 0.9300 . ?
C58 C57 1.373(15) . ?
C57 H57 0.9300 . ?
C57 C56 1.395(16) . ?
C56 H56 0.9300 . ?
C56 C55 1.400(16) . ?
C55 H55 0.9300 . ?
C55 C54 1.361(15) . ?
C54 C53 1.505(13) . ?
C53 N7 1.322(13) . ?
C51 H51 0.9300 . ?
C51 C50 1.452(15) . ?
C50 C49 1.401(15) . ?
C49 H49 0.9300 . ?
C49 C48 1.375(18) . ?
C48 H48 0.9300 . ?
C48 C47 1.375(18) . ?
C47 H47 0.9300 . ?
C47 C46 1.371(16) . ?
C46 H46 0.9300 . ?
C25 H25 0.9300 . ?
C25 H25A 0.9300 . ?
C25 C26 1.383(15) . ?
C26 H26 0.9300 . ?
C26 H26A 0.9300 . ?
C28 C29 1.492(14) . ?
C29 C30 1.392(16) . ?
C30 H30 0.9300 . ?
C30 C31 1.368(15) . ?
C31 C32 1.558(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
O3 Dy1 O4 71.0(3) . . ?
O3 Dy1 O7 130.8(3) . . ?
O3 Dy1 O8 92.5(3) . . ?
O3 Dy1 O25 137.2(2) . . ?
O3 Dy1 O35 133.0(2) . . ?
O3 Dy1 N1 75.1(3) . . ?
O3 Dy1 N4 64.3(3) . . ?
O3 Dy1 N5 86.3(3) . . ?
O4 Dy1 O35 70.1(2) . . ?
O4 Dy1 N1 76.3(3) . . ?
O4 Dy1 N4 120.5(2) . . ?
O4 Dy1 N5 78.7(3) . . ?
O7 Dy1 O4 143.4(2) . . ?
O7 Dy1 O25 88.9(2) . . ?
O7 Dy1 O35 75.1(2) . . ?
O7 Dy1 N1 132.7(3) . . ?
O7 Dy1 N4 66.8(3) . . ?
O7 Dy1 N5 74.7(3) . . ?
O8 Dy1 O4 142.7(3) . . ?
O8 Dy1 O7 72.3(3) . . ?
O8 Dy1 O25 84.5(3) . . ?
O8 Dy1 O35 134.5(3) . . ?
O8 Dy1 N1 67.1(3) . . ?
O8 Dy1 N4 77.3(3) . . ?
O8 Dy1 N5 134.9(3) . . ?
O25 Dy1 O4 86.0(2) . . ?
O25 Dy1 O35 63.8(2) . . ?
O25 Dy1 N1 64.5(2) . . ?
O25 Dy1 N4 153.0(2) . . ?
O25 Dy1 N5 124.8(2) . . ?
O35 Dy1 N1 119.0(2) . . ?
O35 Dy1 N4 117.1(2) . . ?
O35 Dy1 N5 61.1(2) . . ?
N1 Dy1 N4 123.7(3) . . ?
N5 Dy1 N1 152.6(3) . . ?
N5 Dy1 N4 61.7(3) . . ?
O1 Dy2 O5 132.6(2) . . ?
O1 Dy2 O6 138.7(2) . . ?
O1 Dy2 O25 71.7(2) . . ?
O1 Dy2 O35 87.4(2) . . ?
O1 Dy2 N2 72.4(3) . . ?
O1 Dy2 N3 69.6(3) . . ?
O1 Dy2 N6 136.2(2) . . ?
O2 Dy2 O1 72.4(3) . . ?
O2 Dy2 O5 92.9(2) . . ?
O2 Dy2 O6 148.2(3) . . ?
O2 Dy2 O25 131.5(2) . . ?
O2 Dy2 O35 82.9(2) . . ?
O2 Dy2 N2 132.6(3) . . ?
O2 Dy2 N3 76.5(3) . . ?
O2 Dy2 N6 71.4(3) . . ?
O5 Dy2 O25 135.6(2) . . ?
O5 Dy2 N2 88.3(3) . . ?
O5 Dy2 N3 63.1(3) . . ?
O5 Dy2 N6 73.0(3) . . ?
O6 Dy2 O5 70.3(2) . . ?
O6 Dy2 O25 70.7(2) . . ?
O6 Dy2 N2 75.4(3) . . ?
O6 Dy2 N3 115.7(3) . . ?
O6 Dy2 N6 77.8(3) . . ?
O25 Dy2 N2 61.9(2) . . ?
O25 Dy2 N3 118.6(2) . . ?
O25 Dy2 N6 117.8(2) . . ?
O35 Dy2 O5 136.4(2) . . ?
O35 Dy2 O6 91.1(2) . . ?
O35 Dy2 O25 64.1(2) . . ?
O35 Dy2 N2 125.8(3) . . ?
O35 Dy2 N3 152.8(3) . . ?
O35 Dy2 N6 64.5(2) . . ?
N2 Dy2 N3 62.0(3) . . ?
N2 Dy2 N6 151.3(3) . . ?
N6 Dy2 N3 123.2(3) . . ?
C1 S1 C4 90.5(6) . . ?
C2 C3 H3 122.3 . . ?
C2 C3 C4 115.4(11) . . ?
C4 C3 H3 122.3 . . ?
C1 C3A H3A 122.5 . . ?
C1 C3A C4 115.0(11) . . ?
C4 C3A H3A 122.5 . . ?
C2 S1A C4 91.5(5) . . ?
C9 S2 C12 92.7(6) . . ?
C10 C11 H11 123.2 . . ?
C10 C11 C12 113.6(10) . . ?
C12 C11 H11 123.2 . . ?
C12 S2A C10 92.8(10) . . ?
C9 C11A H11A 121.6 . . ?
C12 C11A H11A 121.6 . . ?
C12 C11A C9 116.9(12) . . ?
C17 S3 C20 90.1(7) . . ?
C25 S4 C28 91.6(6) . . ?
C26 C27 H27 122.8 . . ?
C28 C27 H27 122.8 . . ?
C28 C27 C26 114.4(13) . . ?
C26 S4A C28 87.2(11) . . ?
C25 C27A H27A 123.5 . . ?
C28 C27A H27A 123.5 . . ?
C28 C27A C25 113.1(16) . . ?
C5 O1 Dy2 136.5(6) . . ?
C7 O2 Dy2 134.4(7) . . ?
C23 O3 Dy1 133.8(7) . . ?
C21 O4 Dy1 136.3(7) . . ?
C15 O5 Dy2 131.8(7) . . ?
C13 O6 Dy2 134.4(7) . . ?
C29 O7 Dy1 136.8(7) . . ?
C31 O8 Dy1 134.8(7) . . ?
Dy1 O25 Dy2 116.3(2) . . ?
C38 O25 Dy1 123.9(6) . . ?
C38 O25 Dy2 118.7(5) . . ?
Dy2 O35 Dy1 115.3(3) . . ?
C53 O35 Dy1 116.9(6) . . ?
C53 O35 Dy2 125.1(6) . . ?
C37 N1 Dy1 115.4(6) . . ?
C33 N1 Dy1 125.4(7) . . ?
C33 N1 C37 117.2(8) . . ?
C40 N2 Dy2 125.1(7) . . ?
C40 N2 N8 114.6(9) . . ?
N8 N2 Dy2 120.2(6) . . ?
C45 N3 Dy2 123.5(8) . . ?
C41 N3 Dy2 118.5(7) . . ?
C41 N3 C45 117.1(10) . . ?
C50 N4 Dy1 117.4(7) . . ?
C46 N4 Dy1 125.3(8) . . ?
C46 N4 C50 117.2(10) . . ?
N7 N5 Dy1 118.0(6) . . ?
C51 N5 Dy1 125.7(7) . . ?
C51 N5 N7 116.2(9) . . ?
C58 N6 Dy2 128.4(7) . . ?
C58 N6 C54 114.4(8) . . ?
C54 N6 Dy2 117.1(6) . . ?
C3 C2 H2A 127.2 . . ?
S1A C2 H2B 121.0 . . ?
C1 C2 C3 105.5(9) . . ?
C1 C2 S1A 118.0(7) . . ?
C1 C2 H2A 127.2 . . ?
C1 C2 H2B 121.0 . . ?
S1 C1 H1A 120.7 . . ?
C3A C1 H1B 127.2 . . ?
C2 C1 S1 118.5(8) . . ?
C2 C1 C3A 105.6(9) . . ?
C2 C1 H1A 120.7 . . ?
C2 C1 H1B 127.2 . . ?
C3 C4 S1 110.0(8) . . ?
C3 C4 C5 129.9(9) . . ?
C3A C4 S1A 109.5(8) . . ?
C3A C4 C5 131.9(8) . . ?
C5 C4 S1 120.0(7) . . ?
C5 C4 S1A 118.4(6) . . ?
O1 C5 C4 115.0(8) . . ?
O1 C5 C6 122.1(9) . . ?
C6 C5 C4 122.8(8) . . ?
C5 C6 H6 118.1 . . ?
C7 C6 C5 123.7(9) . . ?
C7 C6 H6 118.1 . . ?
O2 C7 C6 128.5(10) . . ?
O2 C7 C8 112.3(10) . . ?
C6 C7 C8 119.2(9) . . ?
F1 C8 F3 105.5(13) . . ?
F1 C8 C7 113.7(11) . . ?
F2 C8 F1 109.8(13) . . ?
F2 C8 F3 105.7(14) . . ?
F2 C8 C7 112.7(12) . . ?
F3 C8 C7 108.9(12) . . ?
C11 C10 H10 124.9 . . ?
S2A C10 H10A 120.5 . . ?
C9 C10 C11 110.2(9) . . ?
C9 C10 S2A 119.0(11) . . ?
C9 C10 H10 124.9 . . ?
C9 C10 H10A 120.5 . . ?
S2 C9 H9A 123.2 . . ?
C11A C9 H9B 129.4 . . ?
C10 C9 S2 113.6(7) . . ?
C10 C9 C11A 101.1(9) . . ?
C10 C9 H9A 123.2 . . ?
C10 C9 H9B 129.4 . . ?
C11 C12 S2 109.8(8) . . ?
C11 C12 C13 126.4(9) . . ?
C11A C12 S2A 110.2(10) . . ?
C11A C12 C13 135.3(11) . . ?
C13 C12 S2 123.6(8) . . ?
C13 C12 S2A 114.5(8) . . ?
O6 C13 C12 116.1(9) . . ?
O6 C13 C14 125.2(10) . . ?
C14 C13 C12 118.6(10) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.7(10) . . ?
C15 C14 H14 120.1 . . ?
O5 C15 C14 129.0(10) . . ?
O5 C15 C16 114.2(9) . . ?
C14 C15 C16 116.6(10) . . ?
F4 C16 F5 106.8(14) . . ?
F4 C16 F6 107.4(12) . . ?
F4 C16 C15 112.0(10) . . ?
F5 C16 F6 105.1(13) . . ?
F5 C16 C15 110.3(11) . . ?
F6 C16 C15 114.6(10) . . ?
S3 C17 H17 122.1 . . ?
C18 C17 S3 115.8(12) . . ?
C18 C17 H17 122.1 . . ?
C17 C18 H18 124.6 . . ?
C17 C18 C19 110.8(13) . . ?
C19 C18 H18 124.6 . . ?
C18 C19 H19 123.9 . . ?
C20 C19 C18 112.3(12) . . ?
C20 C19 H19 123.9 . . ?
C19 C20 S3 110.9(9) . . ?
C19 C20 C21 129.4(11) . . ?
C21 C20 S3 119.4(8) . . ?
O4 C21 C20 118.6(10) . . ?
O4 C21 C22 123.0(10) . . ?
C22 C21 C20 118.3(10) . . ?
C21 C22 H22 119.2 . . ?
C23 C22 C21 121.6(10) . . ?
C23 C22 H22 119.2 . . ?
O3 C23 C22 127.9(10) . . ?
O3 C23 C24 114.0(10) . . ?
C22 C23 C24 118.0(10) . . ?
F7 C24 F8 106.9(11) . . ?
F7 C24 F9 107.6(12) . . ?
F7 C24 C23 114.8(11) . . ?
F8 C24 C23 109.7(11) . . ?
F9 C24 F8 106.6(12) . . ?
F9 C24 C23 110.8(11) . . ?
N3 C45 H45 119.0 . . ?
N3 C45 C44 122.0(12) . . ?
C44 C45 H45 119.0 . . ?
C45 C44 H44 120.0 . . ?
C43 C44 C45 120.0(12) . . ?
C43 C44 H44 120.0 . . ?
C44 C43 H43 120.9 . . ?
C44 C43 C42 118.2(11) . . ?
C42 C43 H43 120.9 . . ?
C43 C42 H42 120.1 . . ?
C43 C42 C41 119.7(12) . . ?
C41 C42 H42 120.1 . . ?
N3 C41 C42 122.9(11) . . ?
N3 C41 C40 115.6(9) . . ?
C42 C41 C40 121.5(11) . . ?
N2 C40 C41 118.1(10) . . ?
N2 C40 H40 120.9 . . ?
C41 C40 H40 120.9 . . ?
C38 N8 N2 107.5(8) . . ?
O25 C38 N8 125.3(9) . . ?
O25 C38 C37 117.6(8) . . ?
N8 C38 C37 117.1(8) . . ?
N1 C37 C38 114.5(8) . . ?
N1 C37 C36 123.3(9) . . ?
C36 C37 C38 122.0(9) . . ?
C37 C36 H36 120.8 . . ?
C35 C36 C37 118.4(10) . . ?
C35 C36 H36 120.8 . . ?
C36 C35 H35 120.1 . . ?
C36 C35 C34 119.8(11) . . ?
C34 C35 H35 120.1 . . ?
C35 C34 H34 120.7 . . ?
C35 C34 C33 118.7(10) . . ?
C33 C34 H34 120.7 . . ?
N1 C33 C34 122.6(10) . . ?
N1 C33 H33 118.7 . . ?
C34 C33 H33 118.7 . . ?
N6 C58 H58 117.8 . . ?
N6 C58 C57 124.4(10) . . ?
C57 C58 H58 117.8 . . ?
C58 C57 H57 120.4 . . ?
C58 C57 C56 119.2(10) . . ?
C56 C57 H57 120.4 . . ?
C57 C56 H56 120.9 . . ?
C57 C56 C55 118.3(10) . . ?
C55 C56 H56 120.9 . . ?
C56 C55 H55 121.3 . . ?
C54 C55 C56 117.5(10) . . ?
C54 C55 H55 121.3 . . ?
N6 C54 C53 112.2(8) . . ?
C55 C54 N6 126.1(9) . . ?
C55 C54 C53 121.6(9) . . ?
O35 C53 C54 119.6(8) . . ?
O35 C53 N7 125.0(9) . . ?
N7 C53 C54 115.3(8) . . ?
C53 N7 N5 108.4(8) . . ?
N5 C51 H51 120.4 . . ?
N5 C51 C50 119.3(10) . . ?
C50 C51 H51 120.4 . . ?
N4 C50 C51 115.8(10) . . ?
N4 C50 C49 121.4(11) . . ?
C49 C50 C51 122.8(10) . . ?
C50 C49 H49 119.6 . . ?
C48 C49 C50 120.9(12) . . ?
C48 C49 H49 119.6 . . ?
C49 C48 H48 121.8 . . ?
C47 C48 C49 116.4(11) . . ?
C47 C48 H48 121.8 . . ?
C48 C47 H47 119.2 . . ?
C46 C47 C48 121.6(11) . . ?
C46 C47 H47 119.2 . . ?
N4 C46 C47 122.5(11) . . ?
N4 C46 H46 118.8 . . ?
C47 C46 H46 118.8 . . ?
S4 C25 H25 122.5 . . ?
C27A C25 H25A 128.5 . . ?
C26 C25 S4 115.0(9) . . ?
C26 C25 C27A 102.9(13) . . ?
C26 C25 H25 122.5 . . ?
C26 C25 H25A 128.5 . . ?
C27 C26 H26 125.9 . . ?
S4A C26 H26A 118.3 . . ?
C25 C26 C27 108.3(11) . . ?
C25 C26 S4A 123.5(12) . . ?
C25 C26 H26 125.9 . . ?
C25 C26 H26A 118.3 . . ?
C27 C28 S4 110.6(9) . . ?
C27 C28 C29 130.4(11) . . ?
C27A C28 S4A 112.2(11) . . ?
C27A C28 C29 128.9(11) . . ?
C29 C28 S4 118.9(8) . . ?
C29 C28 S4A 118.6(9) . . ?
O7 C29 C28 115.9(10) . . ?
O7 C29 C30 123.0(10) . . ?
C30 C29 C28 121.1(10) . . ?
C29 C30 H30 118.6 . . ?
C31 C30 C29 122.8(10) . . ?
C31 C30 H30 118.6 . . ?
O8 C31 C30 127.9(10) . . ?
O8 C31 C32 112.2(9) . . ?
C30 C31 C32 119.8(9) . . ?
F10 C32 F11 107.0(12) . . ?
F10 C32 C31 110.9(10) . . ?
F11 C32 C31 114.3(10) . . ?
F12 C32 F10 106.8(13) . . ?
F12 C32 F11 105.6(12) . . ?
F12 C32 C31 111.8(9) . . ?

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 O3 C23 C22 -22.9(17) . . . . ?
Dy1 O3 C23 C24 159.6(8) . . . . ?
Dy1 O4 C21 C20 -166.9(7) . . . . ?
Dy1 O4 C21 C22 11.5(17) . . . . ?
Dy1 O7 C29 C28 166.3(7) . . . . ?
Dy1 O7 C29 C30 -14.3(16) . . . . ?
Dy1 O8 C31 C30 -17.5(17) . . . . ?
Dy1 O8 C31 C32 163.9(7) . . . . ?
Dy1 O25 C38 N8 168.6(7) . . . . ?
Dy1 O25 C38 C37 -14.0(12) . . . . ?
Dy1 O35 C53 C54 147.0(7) . . . . ?
Dy1 O35 C53 N7 -29.1(12) . . . . ?
Dy1 N1 C37 C38 17.3(10) . . . . ?
Dy1 N1 C37 C36 -167.8(8) . . . . ?
Dy1 N1 C33 C34 165.7(9) . . . . ?
Dy1 N4 C50 C51 1.0(12) . . . . ?
Dy1 N4 C50 C49 -179.0(8) . . . . ?
Dy1 N4 C46 C47 179.3(9) . . . . ?
Dy1 N5 N7 C53 22.1(11) . . . . ?
Dy1 N5 C51 C50 -0.3(15) . . . . ?
Dy2 O1 C5 C4 162.0(7) . . . . ?
Dy2 O1 C5 C6 -21.3(15) . . . . ?
Dy2 O2 C7 C6 -2.6(17) . . . . ?
Dy2 O2 C7 C8 173.9(9) . . . . ?
Dy2 O5 C15 C14 -19.5(17) . . . . ?
Dy2 O5 C15 C16 155.6(7) . . . . ?
Dy2 O6 C13 C12 -151.9(8) . . . . ?
Dy2 O6 C13 C14 23.7(17) . . . . ?
Dy2 O25 C38 N8 -23.2(13) . . . . ?
Dy2 O25 C38 C37 154.3(6) . . . . ?
Dy2 O35 C53 C54 -13.2(12) . . . . ?
Dy2 O35 C53 N7 170.7(7) . . . . ?
Dy2 N2 C40 C41 2.8(14) . . . . ?
Dy2 N2 N8 C38 17.2(10) . . . . ?
Dy2 N3 C45 C44 169.3(9) . . . . ?
Dy2 N3 C41 C42 -170.2(9) . . . . ?
Dy2 N3 C41 C40 9.6(12) . . . . ?
Dy2 N6 C58 C57 179.5(9) . . . . ?
Dy2 N6 C54 C55 -177.3(9) . . . . ?
Dy2 N6 C54 C53 5.1(10) . . . . ?
S1 C4 C5 O1 -177.7(8) . . . . ?
S1 C4 C5 C6 5.7(15) . . . . ?
C3 C2 C1 S1 3(2) . . . . ?
C3 C4 C5 O1 -3(3) . . . . ?
C3 C4 C5 C6 -180(2) . . . . ?
C3A C4 C5 O1 177.6(18) . . . . ?
C3A C4 C5 C6 1(2) . . . . ?
S1A C2 C1 C3A -7(2) . . . . ?
S1A C4 C5 O1 -7.5(13) . . . . ?
S1A C4 C5 C6 175.9(9) . . . . ?
S2 C12 C13 O6 175.6(9) . . . . ?
S2 C12 C13 C14 -0.3(16) . . . . ?
C11 C10 C9 S2 1.0(19) . . . . ?
C11 C12 C13 O6 1(2) . . . . ?
C11 C12 C13 C14 -174.7(15) . . . . ?
S2A C10 C9 C11A -2(6) . . . . ?
S2A C12 C13 O6 -3.4(18) . . . . ?
S2A C12 C13 C14 -179.3(14) . . . . ?
C11A C12 C13 O6 175(8) . . . . ?
C11A C12 C13 C14 -1(8) . . . . ?
S3 C17 C18 C19 2.6(19) . . . . ?
S3 C20 C21 O4 -1.8(15) . . . . ?
S3 C20 C21 C22 179.7(9) . . . . ?
S4 C25 C26 C27 -4(2) . . . . ?
S4 C28 C29 O7 -4.3(13) . . . . ?
S4 C28 C29 C30 176.2(9) . . . . ?
C27 C28 C29 O7 175.0(16) . . . . ?
C27 C28 C29 C30 -4(2) . . . . ?
S4A C28 C29 O7 -179.6(12) . . . . ?
S4A C28 C29 C30 1.0(17) . . . . ?
C27A C25 C26 S4A 11(4) . . . . ?
C27A C28 C29 O7 7(5) . . . . ?
C27A C28 C29 C30 -173(5) . . . . ?
O1 C5 C6 C7 7.1(16) . . . . ?
O2 C7 C8 F1 177.1(12) . . . . ?
O2 C7 C8 F2 51.4(17) . . . . ?
O2 C7 C8 F3 -65.6(14) . . . . ?
O3 C23 C24 F7 -171.0(11) . . . . ?
O3 C23 C24 F8 68.6(15) . . . . ?
O3 C23 C24 F9 -48.8(14) . . . . ?
O4 C21 C22 C23 7.7(17) . . . . ?
O5 C15 C16 F4 33.9(16) . . . . ?
O5 C15 C16 F5 -85.0(15) . . . . ?
O5 C15 C16 F6 156.6(12) . . . . ?
O6 C13 C14 C15 4.7(19) . . . . ?
O7 C29 C30 C31 3.4(17) . . . . ?
O8 C31 C32 F10 61.2(14) . . . . ?
O8 C31 C32 F11 -177.8(11) . . . . ?
O8 C31 C32 F12 -57.8(14) . . . . ?
O25 C38 C37 N1 -4.0(13) . . . . ?
O25 C38 C37 C36 -179.0(9) . . . . ?
O35 C53 N7 N5 4.2(14) . . . . ?
N1 C37 C36 C35 2.9(17) . . . . ?
N2 N8 C38 O25 3.5(13) . . . . ?
N2 N8 C38 C37 -174.0(8) . . . . ?
N3 C45 C44 C43 1(2) . . . . ?
N3 C41 C40 N2 -8.3(15) . . . . ?
N4 C50 C49 C48 -0.6(18) . . . . ?
N5 C51 C50 N4 -0.5(16) . . . . ?
N5 C51 C50 C49 179.4(11) . . . . ?
N6 C58 C57 C56 -0.6(19) . . . . ?
N6 C54 C53 O35 4.2(12) . . . . ?
N6 C54 C53 N7 -179.3(9) . . . . ?
C2 C3 C4 S1 0(4) . . . . ?
C2 C3 C4 C5 -175.2(17) . . . . ?
C2 S1A C4 C3A -2.3(16) . . . . ?
C2 S1A C4 C5 -178.3(10) . . . . ?
C1 S1 C4 C3 2(2) . . . . ?
C1 S1 C4 C5 177.3(10) . . . . ?
C1 C3A C4 S1A -1(3) . . . . ?
C1 C3A C4 C5 174.1(14) . . . . ?
C4 S1 C1 C2 -3.0(13) . . . . ?
C4 C3 C2 C1 -2(4) . . . . ?
C4 C3A C1 C2 5(3) . . . . ?
C4 S1A C2 C1 5.6(13) . . . . ?
C4 C5 C6 C7 -176.5(10) . . . . ?
C5 C6 C7 O2 4.3(18) . . . . ?
C5 C6 C7 C8 -172.0(11) . . . . ?
C6 C7 C8 F1 -6(2) . . . . ?
C6 C7 C8 F2 -131.7(13) . . . . ?
C6 C7 C8 F3 111.3(13) . . . . ?
C10 C11 C12 S2 3(2) . . . . ?
C10 C11 C12 C13 177.9(14) . . . . ?
C10 S2A C12 C11A -3(6) . . . . ?
C10 S2A C12 C13 176.1(11) . . . . ?
C9 S2 C12 C11 -1.9(14) . . . . ?
C9 S2 C12 C13 -177.1(11) . . . . ?
C9 C11A C12 S2A 2(11) . . . . ?
C9 C11A C12 C13 -176(4) . . . . ?
C12 S2 C9 C10 0.5(13) . . . . ?
C12 C11 C10 C9 -3(2) . . . . ?
C12 S2A C10 C9 3(2) . . . . ?
C12 C11A C9 C10 0(10) . . . . ?
C12 C13 C14 C15 -179.8(10) . . . . ?
C13 C14 C15 O5 -6.3(19) . . . . ?
C13 C14 C15 C16 178.7(11) . . . . ?
C14 C15 C16 F4 -150.4(13) . . . . ?
C14 C15 C16 F5 90.8(15) . . . . ?
C14 C15 C16 F6 -27.7(18) . . . . ?
C17 S3 C20 C19 1.8(10) . . . . ?
C17 S3 C20 C21 177.4(10) . . . . ?
C17 C18 C19 C20 -1.2(19) . . . . ?
C18 C19 C20 S3 -0.7(15) . . . . ?
C18 C19 C20 C21 -175.8(12) . . . . ?
C19 C20 C21 O4 172.8(12) . . . . ?
C19 C20 C21 C22 -5.6(18) . . . . ?
C20 S3 C17 C18 -2.6(14) . . . . ?
C20 C21 C22 C23 -173.8(10) . . . . ?
C21 C22 C23 O3 -2.5(18) . . . . ?
C21 C22 C23 C24 174.9(11) . . . . ?
C22 C23 C24 F7 11.2(18) . . . . ?
C22 C23 C24 F8 -109.1(13) . . . . ?
C22 C23 C24 F9 133.4(12) . . . . ?
C45 N3 C41 C42 -1.2(16) . . . . ?
C45 N3 C41 C40 178.5(9) . . . . ?
C45 C44 C43 C42 -3(2) . . . . ?
C44 C43 C42 C41 2.4(19) . . . . ?
C43 C42 C41 N3 -0.4(18) . . . . ?
C43 C42 C41 C40 179.8(11) . . . . ?
C42 C41 C40 N2 171.5(11) . . . . ?
C41 N3 C45 C44 1.0(17) . . . . ?
C40 N2 N8 C38 -159.2(9) . . . . ?
N8 N2 C40 C41 179.0(8) . . . . ?
N8 C38 C37 N1 173.6(9) . . . . ?
N8 C38 C37 C36 -1.3(15) . . . . ?
C38 C37 C36 C35 177.4(10) . . . . ?
C37 N1 C33 C34 2.7(16) . . . . ?
C37 C36 C35 C34 -2.1(18) . . . . ?
C36 C35 C34 C33 1.7(19) . . . . ?
C35 C34 C33 N1 -2.1(19) . . . . ?
C33 N1 C37 C38 -178.0(9) . . . . ?
C33 N1 C37 C36 -3.1(15) . . . . ?
C58 N6 C54 C55 1.8(15) . . . . ?
C58 N6 C54 C53 -175.8(8) . . . . ?
C58 C57 C56 C55 -1.4(18) . . . . ?
C57 C56 C55 C54 3.4(17) . . . . ?
C56 C55 C54 N6 -3.8(17) . . . . ?
C56 C55 C54 C53 173.6(10) . . . . ?
C55 C54 C53 O35 -173.6(10) . . . . ?
C55 C54 C53 N7 2.9(14) . . . . ?
C54 N6 C58 C57 0.5(16) . . . . ?
C54 C53 N7 N5 -172.1(8) . . . . ?
N7 N5 C51 C50 178.6(9) . . . . ?
C51 N5 N7 C53 -156.9(10) . . . . ?
C51 C50 C49 C48 179.4(12) . . . . ?
C50 N4 C46 C47 2.1(17) . . . . ?
C50 C49 C48 C47 2.2(19) . . . . ?
C49 C48 C47 C46 -2(2) . . . . ?
C48 C47 C46 N4 0(2) . . . . ?
C46 N4 C50 C51 178.4(10) . . . . ?
C46 N4 C50 C49 -1.5(16) . . . . ?
C25 S4 C28 C27 -1.8(14) . . . . ?
C25 S4 C28 C29 177.7(9) . . . . ?
C25 C27A C28 S4A 9(7) . . . . ?
C25 C27A C28 C29 -177(3) . . . . ?
C26 C27 C28 S4 0(2) . . . . ?
C26 C27 C28 C29 -179.3(13) . . . . ?
C26 S4A C28 C27A -3(4) . . . . ?
C26 S4A C28 C29 -177.3(10) . . . . ?
C28 S4 C25 C26 3.2(13) . . . . ?
C28 C27 C26 C25 2(2) . . . . ?
C28 S4A C26 C25 -5.2(19) . . . . ?
C28 C27A C25 C26 -11(7) . . . . ?
C28 C29 C30 C31 -177.2(10) . . . . ?
C29 C30 C31 O8 12.1(18) . . . . ?
C29 C30 C31 C32 -169.4(10) . . . . ?
C30 C31 C32 F10 -117.6(13) . . . . ?
C30 C31 C32 F11 3.5(17) . . . . ?
C30 C31 C32 F12 123.4(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.383
_oxdiff_exptl_absorpt_empirical_full_min 0.753
