# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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 1820804'
_audit_update_record             
;
2018-01-31 deposited with the CCDC.	2020-09-07 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_audit_creation_date             2018-01-23
_chemical_formula_sum            'C42 H38 Cl Dy N2 O6'
_chemical_formula_weight         864.690
_refine_ls_R_factor_all          0.070
_cell_length_a                   17.237(5)
_cell_length_b                   10.929(3)
_cell_length_c                   21.168(7)
_cell_angle_alpha                90.000
_cell_angle_beta                 104.884(3)
_cell_angle_gamma                90.000
_cell_volume                     3853.9(20)
_cell_formula_units_Z            4
_symmetry_int_tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  -P_2ybc

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Dy ? 1.200
O ? 1.200
H ? 1.200
N ? 1.200
C ? 1.200
Cl ? 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 1.2659(0) 1.1727(0) 0.439() 1.000 4 e ? d Uani 0.03459(6)
O1 O 1.3308(2) 1.2426(2) 0.5411(1) 1.000 4 e ? d Uani 0.0471(7)
O2 O 1.2571(2) 1.0196(2) 0.5109(1) 1.000 4 e ? d Uani 0.0487(7)
O3 O 1.1525(1) 1.0831(2) 0.3747(1) 1.000 4 e ? d Uani 0.0422(6)
O4 O 1.1609(2) 1.2489(3) 0.4735(1) 1.000 4 e ? d Uani 0.0600(8)
O5 O 1.2716(2) 1.2114(2) 0.3265(1) 1.000 4 e ? d Uani 0.0491(7)
H5A H 1.3017 1.2803 0.3225 1.000 4 e ? calc Uiso 0.05900
O6 O 1.2698(2) 1.3899(3) 0.4226(1) 1.000 4 e ? d Uani 0.0544(7)
H6A H 1.2935 1.4128 0.3896 1.000 4 e ? calc Uiso 0.06500
N1 N 1.3341(2) 0.9852(3) 0.4065(1) 1.000 4 e ? d Uani 0.0379(7)
N2 N 1.4159(2) 1.1922(3) 0.4441(1) 1.000 4 e ? d Uani 0.0407(8)
C1 C 1.2913(2) 0.8828(4) 0.3873(2) 1.000 4 e ? d Uani 0.0469(10)
H1A H 1.2376 0.8820 0.3883 1.000 4 e ? calc Uiso 0.05600
C2 C 1.3225(3) 0.7787(4) 0.3660(2) 1.000 4 e ? d Uani 0.0552(11)
H2A H 1.2906 0.7102 0.3522 1.000 4 e ? calc Uiso 0.06600
C3 C 1.4017(3) 0.7797(4) 0.3660(2) 1.000 4 e ? d Uani 0.0639(13)
H3A H 1.4246 0.7111 0.3521 1.000 4 e ? calc Uiso 0.07700
C4 C 1.4472(3) 0.8818(4) 0.3865(2) 1.000 4 e ? d Uani 0.0554(11)
H4A H 1.5014 0.8822 0.3873 1.000 4 e ? calc Uiso 0.06600
C5 C 1.4123(2) 0.9845(4) 0.4061(2) 1.000 4 e ? d Uani 0.0391(9)
C6 C 1.4577(2) 1.0980(4) 0.4286(2) 1.000 4 e ? d Uani 0.0378(9)
C7 C 1.5394(2) 1.1091(4) 0.4338(2) 1.000 4 e ? d Uani 0.0523(11)
H7A H 1.5682 1.0430 0.4238 1.000 4 e ? calc Uiso 0.06300
C8 C 1.5776(2) 1.2181(5) 0.4538(2) 1.000 4 e ? d Uani 0.0596(13)
H8A H 1.6323 1.2263 0.4572 1.000 4 e ? calc Uiso 0.07200
C9 C 1.5351(2) 1.3135(4) 0.4684(2) 1.000 4 e ? d Uani 0.0572(12)
H9A H 1.5597 1.3883 0.4816 1.000 4 e ? calc Uiso 0.06900
C10 C 1.4547(2) 1.2967(4) 0.4632(2) 1.000 4 e ? d Uani 0.0521(11)
H10A H 1.4257 1.3620 0.4736 1.000 4 e ? calc Uiso 0.06300
C11 C 1.3969(3) 1.4120(4) 0.6368(2) 1.000 4 e ? d Uani 0.0702(14)
H11A H 1.3754 1.4408 0.5946 1.000 4 e ? calc Uiso 0.08400
C12 C 1.4428(3) 1.4892(5) 0.6831(3) 1.000 4 e ? d Uani 0.0927(19)
H12A H 1.4515 1.5696 0.6723 1.000 4 e ? calc Uiso 0.11100
C13 C 1.4759(3) 1.4467(5) 0.7456(2) 1.000 4 e ? d Uani 0.0829(17)
H13A H 1.5078 1.4978 0.7769 1.000 4 e ? calc Uiso 0.10000
C14 C 1.4618(3) 1.3314(5) 0.7610(2) 1.000 4 e ? d Uani 0.0730(14)
H14A H 1.4838 1.3030 0.8032 1.000 4 e ? calc Uiso 0.08800
C15 C 1.4151(2) 1.2540(4) 0.7151(2) 1.000 4 e ? d Uani 0.0507(11)
H15A H 1.4057 1.1745 0.7269 1.000 4 e ? calc Uiso 0.06100
C16 C 1.3821(2) 1.2935(3) 0.6518(2) 1.000 4 e ? d Uani 0.0380(9)
C17 C 1.3358(2) 1.2102(3) 0.5995(2) 1.000 4 e ? d Uani 0.0368(9)
C18 C 1.3035(2) 1.1020(4) 0.6169(2) 1.000 4 e ? d Uani 0.0429(10)
H18A H 1.3054 1.0900 0.6608 1.000 4 e ? calc Uiso 0.05100
C19 C 1.2685(2) 1.0107(4) 0.5725(2) 1.000 4 e ? d Uani 0.0400(9)
C21 C 1.2731(3) 0.8534(4) 0.6607(2) 1.000 4 e ? d Uani 0.0874(18)
H21A H 1.3048 0.9058 0.6913 1.000 4 e ? calc Uiso 0.10500
C22 C 1.2538(4) 0.7383(6) 0.6796(3) 1.000 4 e ? d Uani 0.129(3)
H22A H 1.2728 0.7146 0.7230 1.000 4 e ? calc Uiso 0.15500
C23 C 1.2080(4) 0.6597(5) 0.6363(3) 1.000 4 e ? d Uani 0.0956(19)
H23A H 1.1955 0.5828 0.6498 1.000 4 e ? calc Uiso 0.11500
C24 C 1.1805(3) 0.6947(4) 0.5730(3) 1.000 4 e ? d Uani 0.0778(16)
H24A H 1.1487 0.6420 0.5427 1.000 4 e ? calc Uiso 0.09300
C25 C 1.2000(3) 0.8089(4) 0.5539(2) 1.000 4 e ? d Uani 0.0646(13)
H25A H 1.1814 0.8316 0.5102 1.000 4 e ? calc Uiso 0.07800
C26 C 1.2459(2) 0.8899(4) 0.5973(2) 1.000 4 e ? d Uani 0.043(1)
C27 C 1.0575(2) 0.9379(4) 0.2792(2) 1.000 4 e ? d Uani 0.0518(11)
H27A H 1.1130 0.9333 0.2872 1.000 4 e ? calc Uiso 0.06200
C28 C 1.0099(3) 0.8713(4) 0.2284(2) 1.000 4 e ? d Uani 0.0618(13)
H28A H 1.0333 0.8212 0.2030 1.000 4 e ? calc Uiso 0.07400
C29 C 0.9276(3) 0.8794(5) 0.2157(2) 1.000 4 e ? d Uani 0.0791(16)
H29A H 0.8954 0.8346 0.1816 1.000 4 e ? calc Uiso 0.09500
C30 C 0.8935(3) 0.9525(5) 0.2528(3) 1.000 4 e ? d Uani 0.0814(16)
H30A H 0.8379 0.9582 0.2437 1.000 4 e ? calc Uiso 0.09800
C31 C 0.9409(2) 1.0186(4) 0.3042(2) 1.000 4 e ? d Uani 0.0642(13)
H31A H 0.9169 1.0683 0.3294 1.000 4 e ? calc Uiso 0.07700
C32 C 1.0241(2) 1.0112(4) 0.3183(2) 1.000 4 e ? d Uani 0.0442(10)
C33 C 1.0779(2) 1.0801(4) 0.3743(2) 1.000 4 e ? d Uani 0.0421(9)
C34 C 1.0475(2) 1.1334(4) 0.4224(2) 1.000 4 e ? d Uani 0.0487(11)
H34A H 0.9949 1.1151 0.4226 1.000 4 e ? calc Uiso 0.05800
C35 C 1.0906(2) 1.2128(4) 0.4707(2) 1.000 4 e ? d Uani 0.0486(11)
C36 C 1.0533(2) 1.2625(4) 0.5218(2) 1.000 4 e ? d Uani 0.0580(12)
C37 C 0.9955(3) 1.2047(4) 0.5429(2) 1.000 4 e ? d Uani 0.0813(17)
H37A H 0.9765 1.1298 0.5243 1.000 4 e ? calc Uiso 0.09800
C38 C 0.9635(3) 1.2519(5) 0.5909(2) 1.000 4 e ? d Uani 0.0847(17)
H38A H 0.9234 1.2092 0.6038 1.000 4 e ? d Uiso 0.10200
C39 C 0.9958(13) 1.348(2) 0.6280(13) 0.392(16) 4 e ? d Uani 0.087(10)
H39A H 0.9703 1.3878 0.6560 0.392(16) 4 e ? calc Uiso 0.10500
C39A C 0.9842(10) 1.3673(11) 0.6121(9) 0.608(16) 4 e ? d Uani 0.105(9)
H39B H 0.9692 1.3971 0.6484 0.608(16) 4 e ? calc Uiso 0.12600
C40 C 1.0692(9) 1.3827(17) 0.6209(7) 0.392(16) 4 e ? d Uani 0.088(6)
H40A H 1.0999 1.4384 0.6502 0.392(16) 4 e ? calc Uiso 0.10500
C40A C 1.0271(9) 1.4408(11) 0.5807(9) 0.608(16) 4 e ? d Uani 0.135(8)
H40B H 1.0335 1.5237 0.5904 0.608(16) 4 e ? calc Uiso 0.16200
C41 C 1.0984(7) 1.3365(15) 0.5713(6) 0.392(16) 4 e ? d Uani 0.070(5)
H41A H 1.1508 1.3556 0.5706 0.392(16) 4 e ? calc Uiso 0.08400
C41A C 1.0605(9) 1.3890(9) 0.5344(9) 0.608(16) 4 e ? d Uani 0.116(7)
H41B H 1.0880 1.4379 0.5113 0.608(16) 4 e ? calc Uiso 0.13900
C42 C 1.2389(3) 1.1511(4) 0.2657(2) 1.000 4 e ? d Uani 0.0718(15)
H42A H 1.2544 1.1942 0.2314 1.000 4 e ? calc Uiso 0.10800
H42B H 1.2588 1.0687 0.2680 1.000 4 e ? calc Uiso 0.10800
H42C H 1.1814 1.1498 0.2568 1.000 4 e ? calc Uiso 0.10800
C43 C 1.2427(3) 1.4889(4) 0.4540(2) 1.000 4 e ? d Uani 0.0744(14)
H43A H 1.2540 1.5644 0.4348 1.000 4 e ? calc Uiso 0.11200
H43B H 1.1859 1.4817 0.4487 1.000 4 e ? calc Uiso 0.11200
H43C H 1.2698 1.4882 0.4997 1.000 4 e ? calc Uiso 0.11200
Cl1 Cl 1.3390(1) 1.4655(1) 0.3147(0) 1.000 4 e ? d Uani 0.0585(3)



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 O4 . . 2.275(3) no
Dy1 O2 . . 2.293(3) no
Dy1 O1 . . 2.294(2) no
Dy1 O3 . . 2.295(2) no
Dy1 O6 . . 2.402(3) no
Dy1 O5 . . 2.446(3) no
Dy1 N1 . . 2.544(3) no
Dy1 N2 . . 2.569(3) no
O1 C17 . . 1.267(4) no
O2 C19 . . 1.272(4) no
O3 C33 . . 1.284(4) no
O4 C35 . . 1.262(4) no
O5 C42 . . 1.428(4) no
O5 H5A . . 0.9300 no
O6 C43 . . 1.410(5) no
O6 H6A . . 0.9300 no
N1 C1 . . 1.345(5) no
N1 C5 . . 1.349(4) no
N2 C10 . . 1.333(4) no
N2 C6 . . 1.344(4) no
C1 C2 . . 1.382(5) no
C1 H1A . . 0.9300 no
C2 C3 . . 1.366(6) no
C2 H2A . . 0.9300 no
C3 C4 . . 1.369(6) no
C3 H3A . . 0.9300 no
C4 C5 . . 1.387(5) no
C4 H4A . . 0.9300 no
C5 C6 . . 1.479(5) no
C6 C7 . . 1.390(5) no
C7 C8 . . 1.374(6) no
C7 H7A . . 0.9300 no
C8 C9 . . 1.355(6) no
C8 H8A . . 0.9300 no
C9 C10 . . 1.374(5) no
C9 H9A . . 0.9300 no
C10 H10A . . 0.9300 no
C11 C16 . . 1.373(5) no
C11 C12 . . 1.379(6) no
C11 H11A . . 0.9300 no
C12 C13 . . 1.380(7) no
C12 H12A . . 0.9300 no
C13 C14 . . 1.339(6) no
C13 H13A . . 0.9300 no
C14 C15 . . 1.380(6) no
C14 H14A . . 0.9300 no
C15 C16 . . 1.384(5) no
C15 H15A . . 0.9300 no
C16 C17 . . 1.494(5) no
C17 C18 . . 1.396(5) no
C18 C19 . . 1.396(5) no
C18 H18A . . 0.9300 no
C19 C26 . . 1.509(5) no
C21 C26 . . 1.362(6) no
C21 C22 . . 1.386(7) no
C21 H21A . . 0.9300 no
C22 C23 . . 1.351(7) no
C22 H22A . . 0.9300 no
C23 C24 . . 1.357(7) no
C23 H23A . . 0.9300 no
C24 C25 . . 1.380(6) no
C24 H24A . . 0.9300 no
C25 C26 . . 1.372(5) no
C25 H25A . . 0.9300 no
C27 C32 . . 1.379(5) no
C27 C28 . . 1.380(5) no
C27 H27A . . 0.9300 no
C28 C29 . . 1.377(6) no
C28 H28A . . 0.9300 no
C29 C30 . . 1.356(6) no
C29 H29A . . 0.9300 no
C30 C31 . . 1.383(6) no
C30 H30A . . 0.9300 no
C31 C32 . . 1.390(5) no
C31 H31A . . 0.9300 no
C32 C33 . . 1.506(5) no
C33 C34 . . 1.387(5) no
C34 C35 . . 1.399(5) no
C34 H34A . . 0.9300 no
C35 C36 . . 1.496(5) no
C36 C37 . . 1.350(4) no
C36 C41 . . 1.391(8) no
C36 C41A . . 1.407(8) no
C37 C38 . . 1.374(5) no
C37 H37A . . 0.9300 no
C38 C39 . . 1.346(9) no
C38 C39A . . 1.356(8) no
C38 H38A . . 0.9301 no
C39 C40 . . 1.366(9) no
C39 H39A . . 0.9300 no
C39A C40A . . 1.373(9) no
C39A H39B . . 0.9300 no
C40 C41 . . 1.373(8) no
C40 H40A . . 0.9300 no
C40A C41A . . 1.380(8) no
C40A H40B . . 0.9300 no
C41 H41A . . 0.9300 no
C41A H41B . . 0.9300 no
C42 H42A . . 0.9600 no
C42 H42B . . 0.9600 no
C42 H42C . . 0.9600 no
C43 H43A . . 0.9600 no
C43 H43B . . 0.9600 no
C43 H43C . . 0.9600 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
O4 Dy1 O2 . . . 82.00(11) no
O4 Dy1 O1 . . . 79.15(9) no
O2 Dy1 O1 . . . 73.57(9) no
O4 Dy1 O3 . . . 73.74(9) no
O2 Dy1 O3 . . . 83.71(9) no
O1 Dy1 O3 . . . 146.70(9) no
O4 Dy1 O6 . . . 74.85(10) no
O2 Dy1 O6 . . . 145.70(9) no
O1 Dy1 O6 . . . 77.43(9) no
O3 Dy1 O6 . . . 112.78(9) no
O4 Dy1 O5 . . . 118.9(1) no
O2 Dy1 O5 . . . 142.98(9) no
O1 Dy1 O5 . . . 136.71(9) no
O3 Dy1 O5 . . . 74.79(9) no
O6 Dy1 O5 . . . 71.27(9) no
O4 Dy1 N1 . . . 147.4(1) no
O2 Dy1 N1 . . . 72.90(9) no
O1 Dy1 N1 . . . 112.08(10) no
O3 Dy1 N1 . . . 82.98(9) no
O6 Dy1 N1 . . . 136.44(9) no
O5 Dy1 N1 . . . 74.82(9) no
O4 Dy1 N2 . . . 146.21(10) no
O2 Dy1 N2 . . . 105.66(9) no
O1 Dy1 N2 . . . 72.01(9) no
O3 Dy1 N2 . . . 139.01(9) no
O6 Dy1 N2 . . . 81.92(9) no
O5 Dy1 N2 . . . 74.60(9) no
N1 Dy1 N2 . . . 63.1(1) no
C17 O1 Dy1 . . . 136.1(2) no
C19 O2 Dy1 . . . 135.8(2) no
C33 O3 Dy1 . . . 135.6(2) no
C35 O4 Dy1 . . . 134.8(3) no
C42 O5 Dy1 . . . 133.9(2) no
C42 O5 H5A . . . 113.10 no
Dy1 O5 H5A . . . 113.10 no
C43 O6 Dy1 . . . 131.7(3) no
C43 O6 H6A . . . 114.10 no
Dy1 O6 H6A . . . 114.10 no
C1 N1 C5 . . . 117.7(3) no
C1 N1 Dy1 . . . 119.7(2) no
C5 N1 Dy1 . . . 122.6(2) no
C10 N2 C6 . . . 118.1(3) no
C10 N2 Dy1 . . . 120.3(3) no
C6 N2 Dy1 . . . 121.6(2) no
N1 C1 C2 . . . 123.6(4) no
N1 C1 H1A . . . 118.20 no
C2 C1 H1A . . . 118.20 no
C3 C2 C1 . . . 117.8(4) no
C3 C2 H2A . . . 121.10 no
C1 C2 H2A . . . 121.10 no
C2 C3 C4 . . . 119.9(4) no
C2 C3 H3A . . . 120.00 no
C4 C3 H3A . . . 120.00 no
C3 C4 C5 . . . 119.8(4) no
C3 C4 H4A . . . 120.10 no
C5 C4 H4A . . . 120.10 no
N1 C5 C4 . . . 121.2(4) no
N1 C5 C6 . . . 116.1(3) no
C4 C5 C6 . . . 122.7(3) no
N2 C6 C7 . . . 120.6(4) no
N2 C6 C5 . . . 116.6(3) no
C7 C6 C5 . . . 122.8(4) no
C8 C7 C6 . . . 119.7(4) no
C8 C7 H7A . . . 120.10 no
C6 C7 H7A . . . 120.10 no
C9 C8 C7 . . . 119.5(4) no
C9 C8 H8A . . . 120.20 no
C7 C8 H8A . . . 120.20 no
C8 C9 C10 . . . 118.2(4) no
C8 C9 H9A . . . 120.90 no
C10 C9 H9A . . . 120.90 no
N2 C10 C9 . . . 123.8(4) no
N2 C10 H10A . . . 118.10 no
C9 C10 H10A . . . 118.10 no
C16 C11 C12 . . . 121.4(4) no
C16 C11 H11A . . . 119.30 no
C12 C11 H11A . . . 119.30 no
C11 C12 C13 . . . 119.7(5) no
C11 C12 H12A . . . 120.20 no
C13 C12 H12A . . . 120.20 no
C14 C13 C12 . . . 119.6(4) no
C14 C13 H13A . . . 120.20 no
C12 C13 H13A . . . 120.20 no
C13 C14 C15 . . . 121.0(5) no
C13 C14 H14A . . . 119.50 no
C15 C14 H14A . . . 119.50 no
C14 C15 C16 . . . 120.7(4) no
C14 C15 H15A . . . 119.60 no
C16 C15 H15A . . . 119.60 no
C11 C16 C15 . . . 117.6(4) no
C11 C16 C17 . . . 119.9(4) no
C15 C16 C17 . . . 122.4(4) no
O1 C17 C18 . . . 124.2(3) no
O1 C17 C16 . . . 116.2(3) no
C18 C17 C16 . . . 119.6(3) no
C17 C18 C19 . . . 124.1(3) no
C17 C18 H18A . . . 118.00 no
C19 C18 H18A . . . 118.00 no
O2 C19 C18 . . . 124.2(4) no
O2 C19 C26 . . . 115.9(3) no
C18 C19 C26 . . . 119.8(3) no
C26 C21 C22 . . . 120.2(5) no
C26 C21 H21A . . . 119.90 no
C22 C21 H21A . . . 119.90 no
C23 C22 C21 . . . 121.5(5) no
C23 C22 H22A . . . 119.20 no
C21 C22 H22A . . . 119.20 no
C22 C23 C24 . . . 119.0(5) no
C22 C23 H23A . . . 120.50 no
C24 C23 H23A . . . 120.50 no
C23 C24 C25 . . . 119.7(5) no
C23 C24 H24A . . . 120.20 no
C25 C24 H24A . . . 120.20 no
C26 C25 C24 . . . 121.9(5) no
C26 C25 H25A . . . 119.00 no
C24 C25 H25A . . . 119.00 no
C21 C26 C25 . . . 117.7(4) no
C21 C26 C19 . . . 123.0(4) no
C25 C26 C19 . . . 119.2(4) no
C32 C27 C28 . . . 121.2(4) no
C32 C27 H27A . . . 119.40 no
C28 C27 H27A . . . 119.40 no
C29 C28 C27 . . . 119.6(5) no
C29 C28 H28A . . . 120.20 no
C27 C28 H28A . . . 120.20 no
C30 C29 C28 . . . 120.2(4) no
C30 C29 H29A . . . 119.90 no
C28 C29 H29A . . . 119.90 no
C29 C30 C31 . . . 120.4(4) no
C29 C30 H30A . . . 119.80 no
C31 C30 H30A . . . 119.80 no
C30 C31 C32 . . . 120.5(4) no
C30 C31 H31A . . . 119.80 no
C32 C31 H31A . . . 119.80 no
C27 C32 C31 . . . 118.1(4) no
C27 C32 C33 . . . 119.7(3) no
C31 C32 C33 . . . 122.2(4) no
O3 C33 C34 . . . 123.4(3) no
O3 C33 C32 . . . 115.5(3) no
C34 C33 C32 . . . 121.1(3) no
C33 C34 C35 . . . 124.6(3) no
C33 C34 H34A . . . 117.70 no
C35 C34 H34A . . . 117.70 no
O4 C35 C34 . . . 123.5(4) no
O4 C35 C36 . . . 116.0(3) no
C34 C35 C36 . . . 120.5(3) no
C37 C36 C41 . . . 109.9(6) no
C37 C36 C41A . . . 115.7(5) no
C37 C36 C35 . . . 124.1(4) no
C41 C36 C35 . . . 119.7(5) no
C41A C36 C35 . . . 117.4(5) no
C36 C37 C38 . . . 122.6(4) no
C36 C37 H37A . . . 118.70 no
C38 C37 H37A . . . 118.70 no
C39 C38 C37 . . . 122.8(7) no
C39A C38 C37 . . . 118.2(6) no
C39 C38 H38A . . . 116.60 no
C39A C38 H38A . . . 121.40 no
C37 C38 H38A . . . 119.80 no
C38 C39 C40 . . . 114.1(10) no
C38 C39 H39A . . . 123.00 no
C40 C39 H39A . . . 123.00 no
C38 C39A C40A . . . 120.8(8) no
C38 C39A H39B . . . 119.60 no
C40A C39A H39B . . . 119.60 no
C39 C40 C41 . . . 121.(1) no
C39 C40 H40A . . . 119.50 no
C41 C40 H40A . . . 119.50 no
C39A C40A C41A . . . 118.7(8) no
C39A C40A H40B . . . 120.70 no
C41A C40A H40B . . . 120.70 no
C40 C41 C36 . . . 123.1(8) no
C40 C41 H41A . . . 118.50 no
C36 C41 H41A . . . 118.50 no
C40A C41A C36 . . . 120.3(7) no
C40A C41A H41B . . . 119.90 no
C36 C41A H41B . . . 119.90 no
O5 C42 H42A . . . 109.50 no
O5 C42 H42B . . . 109.50 no
H42A C42 H42B . . . 109.50 no
O5 C42 H42C . . . 109.50 no
H42A C42 H42C . . . 109.50 no
H42B C42 H42C . . . 109.50 no
O6 C43 H43A . . . 109.50 no
O6 C43 H43B . . . 109.50 no
H43A C43 H43B . . . 109.50 no
O6 C43 H43C . . . 109.50 no
H43A C43 H43C . . . 109.50 no
H43B C43 H43C . . . 109.50 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
C5 N1 C1 C2 . . . . -1.4(5) no
Dy1 N1 C1 C2 . . . . 177.1(3) no
N1 C1 C2 C3 . . . . 1.4(6) no
C1 C2 C3 C4 . . . . -0.1(6) no
C2 C3 C4 C5 . . . . -1.2(7) no
C1 N1 C5 C4 . . . . 0.1(5) no
Dy1 N1 C5 C4 . . . . -178.3(3) no
C1 N1 C5 C6 . . . . -179.0(3) no
Dy1 N1 C5 C6 . . . . 2.6(4) no
C3 C4 C5 N1 . . . . 1.2(6) no
C3 C4 C5 C6 . . . . -179.8(4) no
C10 N2 C6 C7 . . . . 1.3(5) no
Dy1 N2 C6 C7 . . . . -177.8(3) no
C10 N2 C6 C5 . . . . -178.6(3) no
Dy1 N2 C6 C5 . . . . 2.3(4) no
N1 C5 C6 N2 . . . . -3.1(5) no
C4 C5 C6 N2 . . . . 177.8(3) no
N1 C5 C6 C7 . . . . 177.0(3) no
C4 C5 C6 C7 . . . . -2.1(6) no
N2 C6 C7 C8 . . . . -1.3(6) no
C5 C6 C7 C8 . . . . 178.6(4) no
C6 C7 C8 C9 . . . . 0.3(6) no
C7 C8 C9 C10 . . . . 0.6(7) no
C6 N2 C10 C9 . . . . -0.5(6) no
Dy1 N2 C10 C9 . . . . 178.7(3) no
C8 C9 C10 N2 . . . . -0.5(7) no
C16 C11 C12 C13 . . . . 1.0(9) no
C11 C12 C13 C14 . . . . -1.2(9) no
C12 C13 C14 C15 . . . . 0.5(8) no
C13 C14 C15 C16 . . . . 0.5(7) no
C12 C11 C16 C15 . . . . -0.1(7) no
C12 C11 C16 C17 . . . . -176.6(5) no
C14 C15 C16 C11 . . . . -0.7(6) no
C14 C15 C16 C17 . . . . 175.8(4) no
Dy1 O1 C17 C18 . . . . 7.0(6) no
Dy1 O1 C17 C16 . . . . -175.2(2) no
C11 C16 C17 O1 . . . . 18.2(5) no
C15 C16 C17 O1 . . . . -158.2(4) no
C11 C16 C17 C18 . . . . -163.9(4) no
C15 C16 C17 C18 . . . . 19.7(5) no
O1 C17 C18 C19 . . . . 6.4(6) no
C16 C17 C18 C19 . . . . -171.3(4) no
Dy1 O2 C19 C18 . . . . -9.6(6) no
Dy1 O2 C19 C26 . . . . 173.6(2) no
C17 C18 C19 O2 . . . . -5.2(6) no
C17 C18 C19 C26 . . . . 171.4(3) no
C26 C21 C22 C23 . . . . 0.0(11) no
C21 C22 C23 C24 . . . . 0.0(11) no
C22 C23 C24 C25 . . . . 0.4(10) no
C23 C24 C25 C26 . . . . -0.8(8) no
C22 C21 C26 C25 . . . . -0.5(8) no
C22 C21 C26 C19 . . . . -176.4(5) no
C24 C25 C26 C21 . . . . 0.9(7) no
C24 C25 C26 C19 . . . . 176.9(4) no
O2 C19 C26 C21 . . . . 162.1(4) no
C18 C19 C26 C21 . . . . -14.8(6) no
O2 C19 C26 C25 . . . . -13.8(5) no
C18 C19 C26 C25 . . . . 169.3(4) no
C32 C27 C28 C29 . . . . 1.1(7) no
C27 C28 C29 C30 . . . . 0.0(8) no
C28 C29 C30 C31 . . . . -0.6(8) no
C29 C30 C31 C32 . . . . 0.2(8) no
C28 C27 C32 C31 . . . . -1.5(6) no
C28 C27 C32 C33 . . . . 178.5(4) no
C30 C31 C32 C27 . . . . 0.9(7) no
C30 C31 C32 C33 . . . . -179.1(4) no
Dy1 O3 C33 C34 . . . . -4.5(6) no
Dy1 O3 C33 C32 . . . . 177.1(2) no
C27 C32 C33 O3 . . . . 12.1(5) no
C31 C32 C33 O3 . . . . -167.9(4) no
C27 C32 C33 C34 . . . . -166.3(4) no
C31 C32 C33 C34 . . . . 13.7(6) no
O3 C33 C34 C35 . . . . 11.0(7) no
C32 C33 C34 C35 . . . . -170.7(4) no
Dy1 O4 C35 C34 . . . . -25.9(7) no
Dy1 O4 C35 C36 . . . . 155.5(3) no
C33 C34 C35 O4 . . . . 3.5(7) no
C33 C34 C35 C36 . . . . -178.0(4) no
O4 C35 C36 C37 . . . . -153.8(5) no
C34 C35 C36 C37 . . . . 27.6(7) no
O4 C35 C36 C41 . . . . -4.5(11) no
C34 C35 C36 C41 . . . . 176.9(10) no
O4 C35 C36 C41A . . . . 46.(1) no
C34 C35 C36 C41A . . . . -132.6(10) no
C41 C36 C37 C38 . . . . 27.0(9) no
C41A C36 C37 C38 . . . . -20.6(10) no
C35 C36 C37 C38 . . . . 178.8(5) no
C36 C37 C38 C39 . . . . -11.3(19) no
C36 C37 C38 C39A . . . . 7.9(12) no
C37 C38 C39 C40 . . . . -10.(4) no
C37 C38 C39A C40A . . . . 9.(2) no
C38 C39 C40 C41 . . . . 11.(4) no
C38 C39A C40A C41A . . . . -11.(3) no
C39 C40 C41 C36 . . . . 6.(3) no
C37 C36 C41 C40 . . . . -24.9(18) no
C35 C36 C41 C40 . . . . -178.1(13) no
C39A C40A C41A C36 . . . . -3.(2) no
C37 C36 C41A C40A . . . . 17.7(16) no
C35 C36 C41A C40A . . . . 179.6(10) no
