# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_s
_database_code_depnum_ccdc_archive 'CCDC 969096'
_audit_update_record             
;
2013-10-29 deposited with the CCDC.
2015-12-29 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_audit_creation_date             2013-10-18
_chemical_formula_sum            'C70 H50 Eu2 F36 N4 O20 Zn2'
_chemical_formula_weight         2385.800
_refine_ls_R_factor_all          0.088
_cell_length_a                   12.0462(4)
_cell_length_b                   21.1841(7)
_cell_length_c                   18.9992(11)
_cell_angle_alpha                90.000
_cell_angle_beta                 115.060(4)
_cell_angle_gamma                90.000
_cell_volume                     4392.0(3)
_cell_formula_units_Z            2
_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
Eu ? 1.200
Zn ? 1.200
N ? 1.200
C ? 1.200
H ? 1.200
F ? 1.200
O ? 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
Eu1 Eu 0.2592(0) 0.9483(0) 0.7595(0) 1.000 4 e ? d Uani 0.04778(17)
Zn1 Zn 0.4502(1) 0.9541(0) 0.673() 1.000 4 e ? d Uani 0.0587(3)
N1 N 0.5306(5) 0.8727(3) 0.6661(4) 1.000 4 e ? d Uani 0.0589(16)
N2 N 0.5353(6) 1.0380(3) 0.6924(4) 1.000 4 e ? d Uani 0.0636(17)
C1 C 0.5583(6) 0.8971(4) 0.8290(4) 1.000 4 e ? d Uani 0.0573(19)
C2 C 0.5946(8) 0.9084(5) 0.9075(5) 1.000 4 e ? d Uani 0.079(2)
H2 H 0.5503 0.9361 0.9238 1.000 4 e ? calc Uiso 0.09500
C3 C 0.6979(10) 0.8780(6) 0.9617(6) 1.000 4 e ? d Uani 0.110(4)
H3 H 0.7238 0.8866 1.0144 1.000 4 e ? calc Uiso 0.13100
C4 C 0.7612(9) 0.8361(6) 0.9388(7) 1.000 4 e ? d Uani 0.106(4)
H4 H 0.8286 0.8151 0.9757 1.000 4 e ? calc Uiso 0.12800
C5 C 0.7270(8) 0.8248(5) 0.8633(7) 1.000 4 e ? d Uani 0.091(3)
H5 H 0.7715 0.7960 0.8485 1.000 4 e ? calc Uiso 0.11000
C6 C 0.6259(7) 0.8552(4) 0.8055(6) 1.000 4 e ? d Uani 0.070(2)
C7 C 0.5983(7) 0.8414(4) 0.7262(6) 1.000 4 e ? d Uani 0.067(2)
H7 H 0.6342 0.8052 0.7174 1.000 4 e ? calc Uiso 0.08000
C8 C 0.5093(8) 0.8522(4) 0.5894(5) 1.000 4 e ? d Uani 0.074(2)
H8A H 0.4397 0.8237 0.5696 1.000 4 e ? calc Uiso 0.08900
H8B H 0.5805 0.8293 0.5915 1.000 4 e ? calc Uiso 0.08900
C9 C 0.4852(8) 0.9069(4) 0.5363(5) 1.000 4 e ? d Uani 0.076(2)
H9A H 0.5599 0.9310 0.5497 1.000 4 e ? calc Uiso 0.09100
H9B H 0.4574 0.8923 0.4832 1.000 4 e ? calc Uiso 0.09100
C10 C 0.2667(7) 0.9351(4) 0.4885(5) 1.000 4 e ? d Uani 0.067(2)
H10A H 0.2120 0.9436 0.5129 1.000 4 e ? calc Uiso 0.08000
H10B H 0.2573 0.8912 0.4727 1.000 4 e ? calc Uiso 0.08000
C11 C 0.2588(7) 1.0462(3) 0.6161(4) 1.000 4 e ? d Uani 0.0578(19)
C12 C 0.1366(8) 1.0573(4) 0.5700(5) 1.000 4 e ? d Uani 0.079(3)
H12 H 0.0794 1.0267 0.5671 1.000 4 e ? calc Uiso 0.09500
C13 C 0.0963(10) 1.1125(5) 0.5280(7) 1.000 4 e ? d Uani 0.112(4)
H13 H 0.0131 1.1182 0.4970 1.000 4 e ? calc Uiso 0.13500
C14 C 0.1791(11) 1.1594(5) 0.5316(7) 1.000 4 e ? d Uani 0.112(4)
H14 H 0.1527 1.1966 0.5034 1.000 4 e ? calc Uiso 0.13400
C15 C 0.3026(10) 1.1491(4) 0.5787(6) 1.000 4 e ? d Uani 0.092(3)
H15 H 0.3586 1.1807 0.5827 1.000 4 e ? calc Uiso 0.11000
C16 C 0.3453(8) 1.0935(4) 0.6198(5) 1.000 4 e ? d Uani 0.064(2)
C17 C 0.4728(8) 1.0894(4) 0.6656(5) 1.000 4 e ? d Uani 0.067(2)
H17 H 0.5163 1.1272 0.6779 1.000 4 e ? calc Uiso 0.08000
C18 C 0.6683(8) 1.0437(4) 0.7375(5) 1.000 4 e ? d Uani 0.078(3)
H18A H 0.6924 1.0232 0.7875 1.000 4 e ? calc Uiso 0.09400
H18B H 0.6906 1.0879 0.7466 1.000 4 e ? calc Uiso 0.09400
C19 C 0.7347(7) 1.0138(5) 0.6947(5) 1.000 4 e ? d Uani 0.078(2)
H19A H 0.8224 1.0170 0.7255 1.000 4 e ? calc Uiso 0.09300
H19B H 0.7134 0.9694 0.6860 1.000 4 e ? calc Uiso 0.09300
C20 C 0.7659(7) 1.0235(4) 0.5812(5) 1.000 4 e ? d Uani 0.070(2)
H20A H 0.7440 0.9801 0.5648 1.000 4 e ? calc Uiso 0.08400
H20B H 0.8535 1.0252 0.6131 1.000 4 e ? calc Uiso 0.08400
C21 C 0.4775(12) 1.1271(7) 0.8867(8) 1.000 4 e ? d Uani 0.112(4)
C22 C 0.3640(8) 1.0922(4) 0.8368(5) 1.000 4 e ? d Uani 0.069(2)
C23 C 0.2572(8) 1.1245(4) 0.8002(6) 1.000 4 e ? d Uani 0.094(3)
H23 H 0.2575 1.1677 0.8086 1.000 4 e ? calc Uiso 0.11300
C24 C 0.1479(8) 1.0963(4) 0.7510(6) 1.000 4 e ? d Uani 0.083(3)
C25 C 0.0363(13) 1.1402(6) 0.7161(14) 1.000 4 e ? d Uani 0.171(7)
C26 C 0.108(2) 0.9397(7) 0.9499(12) 1.000 4 e ? d Uani 0.128(5)
C27 C 0.1773(8) 0.9136(5) 0.9042(5) 1.000 4 e ? d Uani 0.080(3)
C28 C 0.2058(8) 0.8505(4) 0.9110(5) 1.000 4 e ? d Uani 0.073(2)
H28 H 0.1798 0.8247 0.9407 1.000 4 e ? calc Uiso 0.08800
C29 C 0.2720(7) 0.8252(4) 0.8745(4) 1.000 4 e ? d Uani 0.0571(18)
C30 C 0.3107(10) 0.7572(4) 0.8891(5) 1.000 4 e ? d Uani 0.079(3)
C31 C -0.1052(9) 0.8388(4) 0.6923(8) 1.000 4 e ? d Uani 0.095(3)
C32 C 0.0180(6) 0.8514(4) 0.6899(5) 1.000 4 e ? d Uani 0.0589(19)
C33 C 0.0701(6) 0.8031(4) 0.6670(4) 1.000 4 e ? d Uani 0.0588(19)
H33 H 0.0350 0.7632 0.6589 1.000 4 e ? calc Uiso 0.07100
C34 C 0.1755(7) 0.8135(3) 0.6559(4) 1.000 4 e ? d Uani 0.0531(17)
C35 C 0.2199(14) 0.7592(5) 0.6243(9) 1.000 4 e ? d Uani 0.109(4)
F1 F 0.5612(7) 1.1225(5) 0.8641(6) 1.000 4 e ? d Uani 0.194(4)
F2 F 0.5300(8) 1.1005(6) 0.9563(6) 1.000 4 e ? d Uani 0.199(5)
F3 F 0.4633(7) 1.1842(4) 0.9017(7) 1.000 4 e ? d Uani 0.218(5)
F4 F 0.0558(10) 1.1960(4) 0.7064(9) 1.000 4 e ? d Uani 0.295(8)
F5 F -0.0389(9) 1.1236(4) 0.6513(8) 1.000 4 e ? d Uani 0.253(8)
F6 F -0.0145(15) 1.1401(9) 0.7614(11) 1.000 4 e ? d Uani 0.339(12)
F7 F 0.1634(16) 0.9778(9) 0.9977(11) 1.000 4 e ? d Uani 0.316(12)
F8 F 0.0205(13) 0.9681(10) 0.9111(8) 1.000 4 e ? d Uani 0.289(10)
F9 F 0.0727(13) 0.9015(5) 0.9823(8) 1.000 4 e ? d Uani 0.247(7)
F10 F 0.2870(9) 0.7259(3) 0.8262(4) 1.000 4 e ? d Uani 0.161(3)
F11 F 0.4287(7) 0.7499(3) 0.9274(5) 1.000 4 e ? d Uani 0.169(3)
F12 F 0.2591(9) 0.7246(3) 0.9244(5) 1.000 4 e ? d Uani 0.187(4)
F13 F -0.1905(6) 0.8761(3) 0.6421(5) 1.000 4 e ? d Uani 0.146(3)
F14 F -0.1060(7) 0.8462(6) 0.7565(5) 1.000 4 e ? d Uani 0.202(5)
F15 F -0.1539(5) 0.7835(3) 0.6641(5) 1.000 4 e ? d Uani 0.141(3)
F16 F 0.1813(8) 0.7046(3) 0.6292(6) 1.000 4 e ? d Uani 0.190(4)
F17 F 0.2138(15) 0.7697(5) 0.5580(6) 1.000 4 e ? d Uani 0.230(6)
F18 F 0.3361(9) 0.7532(4) 0.6580(9) 1.000 4 e ? d Uani 0.236(7)
O1 O 0.4593(4) 0.9268(2) 0.7771(3) 1.000 4 e ? d Uani 0.0545(12)
O2 O 0.2906(4) 0.9930(2) 0.6547(3) 1.000 4 e ? d Uani 0.0548(12)
O3 O 0.3790(5) 1.0349(3) 0.8326(3) 1.000 4 e ? d Uani 0.0713(15)
O4 O 0.1307(5) 1.0408(2) 0.7305(3) 1.000 4 e ? d Uani 0.0647(14)
O5 O 0.2036(6) 0.9548(2) 0.8661(4) 1.000 4 e ? d Uani 0.0774(17)
O6 O 0.3068(4) 0.8527(2) 0.8288(3) 1.000 4 e ? d Uani 0.0607(13)
O7 O 0.0575(5) 0.9059(2) 0.7097(3) 1.000 4 e ? d Uani 0.0676(15)
O8 O 0.2367(4) 0.8621(2) 0.6667(3) 1.000 4 e ? d Uani 0.0565(12)
O9 O 0.3915(5) 0.9468(2) 0.5431(3) 1.000 4 e ? d Uani 0.0659(15)
O10 O 0.7029(5) 1.0438(3) 0.6244(3) 1.000 4 e ? d Uani 0.0752(16)



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
Eu1 O1 . . 2.335(5) no
Eu1 O6 . . 2.351(5) no
Eu1 O2 . . 2.375(4) no
Eu1 O7 . . 2.378(5) no
Eu1 O3 . . 2.383(5) no
Eu1 O5 . . 2.392(5) no
Eu1 O4 . . 2.411(5) no
Eu1 O8 . . 2.472(5) no
Eu1 Zn1 . . 3.3496(8) no
Zn1 O2 . . 1.983(5) no
Zn1 N2 . . 2.006(6) no
Zn1 N1 . . 2.010(6) no
Zn1 O1 . . 2.020(5) no
Zn1 O9 . . 2.265(5) no
N1 C7 . . 1.272(10) no
N1 C8 . . 1.436(9) no
N2 C17 . . 1.30(1) no
N2 C18 . . 1.467(10) no
C1 O1 . . 1.339(8) no
C1 C2 . . 1.386(10) no
C1 C6 . . 1.400(11) no
C2 C3 . . 1.392(13) no
C2 H2 . . 0.9300 no
C3 C4 . . 1.358(15) no
C3 H3 . . 0.9300 no
C4 C5 . . 1.335(14) no
C4 H4 . . 0.9300 no
C5 C6 . . 1.403(12) no
C5 H5 . . 0.9300 no
C6 C7 . . 1.430(12) no
C7 H7 . . 0.9300 no
C8 C9 . . 1.483(12) no
C8 H8A . . 0.9700 no
C8 H8B . . 0.9700 no
C9 O9 . . 1.458(9) no
C9 H9A . . 0.9700 no
C9 H9B . . 0.9700 no
C10 O9 . . 1.441(9) no
C10 C20 . 3_676 1.496(12) no
C10 H10A . . 0.9700 no
C10 H10B . . 0.9700 no
C11 O2 . . 1.310(8) no
C11 C12 . . 1.377(11) no
C11 C16 . . 1.426(10) no
C12 C13 . . 1.384(12) no
C12 H12 . . 0.9300 no
C13 C14 . . 1.389(14) no
C13 H13 . . 0.9300 no
C14 C15 . . 1.390(13) no
C14 H14 . . 0.9300 no
C15 C16 . . 1.386(11) no
C15 H15 . . 0.9300 no
C16 C17 . . 1.411(11) no
C17 H17 . . 0.9300 no
C18 C19 . . 1.500(11) no
C18 H18A . . 0.9700 no
C18 H18B . . 0.9700 no
C19 O10 . . 1.378(9) no
C19 H19A . . 0.9700 no
C19 H19B . . 0.9700 no
C20 O10 . . 1.400(9) no
C20 C10 . 3_676 1.496(12) no
C20 H20A . . 0.9700 no
C20 H20B . . 0.9700 no
C21 F1 . . 1.256(13) no
C21 F3 . . 1.272(14) no
C21 F2 . . 1.326(16) no
C21 C22 . . 1.489(13) no
C22 O3 . . 1.235(9) no
C22 C23 . . 1.360(12) no
C23 C24 . . 1.386(12) no
C23 H23 . . 0.9300 no
C24 O4 . . 1.229(9) no
C24 C25 . . 1.535(16) no
C25 F4 . . 1.235(18) no
C25 F5 . . 1.23(2) no
C25 F6 . . 1.25(2) no
C26 F8 . . 1.16(2) no
C26 F7 . . 1.19(2) no
C26 F9 . . 1.198(15) no
C26 C27 . . 1.543(13) no
C27 O5 . . 1.257(9) no
C27 C28 . . 1.371(12) no
C28 C29 . . 1.368(10) no
C28 H28 . . 0.9300 no
C29 O6 . . 1.255(8) no
C29 C30 . . 1.503(11) no
C30 F10 . . 1.289(10) no
C30 F12 . . 1.292(10) no
C30 F11 . . 1.303(11) no
C31 F14 . . 1.235(13) no
C31 F15 . . 1.317(11) no
C31 F13 . . 1.327(11) no
C31 C32 . . 1.528(11) no
C32 O7 . . 1.245(8) no
C32 C33 . . 1.364(10) no
C33 C34 . . 1.390(9) no
C33 H33 . . 0.9300 no
C34 O8 . . 1.232(8) no
C34 C35 . . 1.497(11) no
C35 F17 . . 1.252(14) no
C35 F16 . . 1.265(11) no
C35 F18 . . 1.276(17) 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
O1 Eu1 O6 . . . 76.05(16) no
O1 Eu1 O2 . . . 71.13(16) no
O6 Eu1 O2 . . . 136.51(15) no
O1 Eu1 O7 . . . 143.37(17) no
O6 Eu1 O7 . . . 82.15(18) no
O2 Eu1 O7 . . . 108.43(18) no
O1 Eu1 O3 . . . 74.50(18) no
O6 Eu1 O3 . . . 113.1(2) no
O2 Eu1 O3 . . . 84.80(18) no
O7 Eu1 O3 . . . 141.89(17) no
O1 Eu1 O5 . . . 122.1(2) no
O6 Eu1 O5 . . . 70.38(17) no
O2 Eu1 O5 . . . 152.65(16) no
O7 Eu1 O5 . . . 75.7(2) no
O3 Eu1 O5 . . . 77.3(2) no
O1 Eu1 O4 . . . 135.70(17) no
O6 Eu1 O4 . . . 143.95(17) no
O2 Eu1 O4 . . . 78.45(17) no
O7 Eu1 O4 . . . 76.52(17) no
O3 Eu1 O4 . . . 71.32(19) no
O5 Eu1 O4 . . . 76.33(19) no
O1 Eu1 O8 . . . 75.68(16) no
O6 Eu1 O8 . . . 71.92(17) no
O2 Eu1 O8 . . . 72.89(15) no
O7 Eu1 O8 . . . 69.68(15) no
O3 Eu1 O8 . . . 147.22(16) no
O5 Eu1 O8 . . . 131.34(17) no
O4 Eu1 O8 . . . 124.88(18) no
O1 Eu1 Zn1 . . . 36.38(11) no
O6 Eu1 Zn1 . . . 104.55(11) no
O2 Eu1 Zn1 . . . 35.66(11) no
O7 Eu1 Zn1 . . . 128.14(13) no
O3 Eu1 Zn1 . . . 83.40(13) no
O5 Eu1 Zn1 . . . 155.58(16) no
O4 Eu1 Zn1 . . . 111.50(13) no
O8 Eu1 Zn1 . . . 64.42(10) no
O2 Zn1 N2 . . . 92.6(2) no
O2 Zn1 N1 . . . 143.5(2) no
N2 Zn1 N1 . . . 123.4(3) no
O2 Zn1 O1 . . . 86.37(19) no
N2 Zn1 O1 . . . 105.2(2) no
N1 Zn1 O1 . . . 89.4(2) no
O2 Zn1 O9 . . . 90.3(2) no
N2 Zn1 O9 . . . 99.3(2) no
N1 Zn1 O9 . . . 78.9(2) no
O1 Zn1 O9 . . . 155.4(2) no
O2 Zn1 Eu1 . . . 44.28(13) no
N2 Zn1 Eu1 . . . 110.22(18) no
N1 Zn1 Eu1 . . . 116.76(17) no
O1 Zn1 Eu1 . . . 43.29(13) no
O9 Zn1 Eu1 . . . 124.70(14) no
C7 N1 C8 . . . 121.6(7) no
C7 N1 Zn1 . . . 122.2(6) no
C8 N1 Zn1 . . . 116.2(5) no
C17 N2 C18 . . . 117.9(7) no
C17 N2 Zn1 . . . 120.3(5) no
C18 N2 Zn1 . . . 121.8(5) no
O1 C1 C2 . . . 119.3(7) no
O1 C1 C6 . . . 121.3(7) no
C2 C1 C6 . . . 119.4(8) no
C1 C2 C3 . . . 119.5(9) no
C1 C2 H2 . . . 120.20 no
C3 C2 H2 . . . 120.20 no
C4 C3 C2 . . . 120.8(10) no
C4 C3 H3 . . . 119.60 no
C2 C3 H3 . . . 119.60 no
C5 C4 C3 . . . 120.1(10) no
C5 C4 H4 . . . 119.90 no
C3 C4 H4 . . . 119.90 no
C4 C5 C6 . . . 121.9(10) no
C4 C5 H5 . . . 119.00 no
C6 C5 H5 . . . 119.00 no
C1 C6 C5 . . . 118.1(9) no
C1 C6 C7 . . . 124.0(8) no
C5 C6 C7 . . . 117.9(9) no
N1 C7 C6 . . . 127.9(8) no
N1 C7 H7 . . . 116.10 no
C6 C7 H7 . . . 116.10 no
N1 C8 C9 . . . 110.7(7) no
N1 C8 H8A . . . 109.50 no
C9 C8 H8A . . . 109.50 no
N1 C8 H8B . . . 109.50 no
C9 C8 H8B . . . 109.50 no
H8A C8 H8B . . . 108.10 no
O9 C9 C8 . . . 109.2(6) no
O9 C9 H9A . . . 109.80 no
C8 C9 H9A . . . 109.80 no
O9 C9 H9B . . . 109.80 no
C8 C9 H9B . . . 109.80 no
H9A C9 H9B . . . 108.30 no
O9 C10 C20 . . 3_676 109.8(6) no
O9 C10 H10A . . . 109.70 no
C20 C10 H10A 3_676 . . 109.70 no
O9 C10 H10B . . . 109.70 no
C20 C10 H10B 3_676 . . 109.70 no
H10A C10 H10B . . . 108.20 no
O2 C11 C12 . . . 118.8(7) no
O2 C11 C16 . . . 122.9(7) no
C12 C11 C16 . . . 118.3(7) no
C11 C12 C13 . . . 122.0(9) no
C11 C12 H12 . . . 119.00 no
C13 C12 H12 . . . 119.00 no
C12 C13 C14 . . . 120.5(10) no
C12 C13 H13 . . . 119.70 no
C14 C13 H13 . . . 119.70 no
C13 C14 C15 . . . 118.0(9) no
C13 C14 H14 . . . 121.00 no
C15 C14 H14 . . . 121.00 no
C16 C15 C14 . . . 122.4(9) no
C16 C15 H15 . . . 118.80 no
C14 C15 H15 . . . 118.80 no
C15 C16 C17 . . . 116.6(8) no
C15 C16 C11 . . . 118.7(8) no
C17 C16 C11 . . . 124.7(7) no
N2 C17 C16 . . . 126.3(7) no
N2 C17 H17 . . . 116.90 no
C16 C17 H17 . . . 116.90 no
N2 C18 C19 . . . 110.5(7) no
N2 C18 H18A . . . 109.50 no
C19 C18 H18A . . . 109.50 no
N2 C18 H18B . . . 109.50 no
C19 C18 H18B . . . 109.50 no
H18A C18 H18B . . . 108.10 no
O10 C19 C18 . . . 109.7(7) no
O10 C19 H19A . . . 109.70 no
C18 C19 H19A . . . 109.70 no
O10 C19 H19B . . . 109.70 no
C18 C19 H19B . . . 109.70 no
H19A C19 H19B . . . 108.20 no
O10 C20 C10 . . 3_676 109.5(7) no
O10 C20 H20A . . . 109.80 no
C10 C20 H20A 3_676 . . 109.80 no
O10 C20 H20B . . . 109.80 no
C10 C20 H20B 3_676 . . 109.80 no
H20A C20 H20B . . . 108.20 no
F1 C21 F3 . . . 110.7(13) no
F1 C21 F2 . . . 101.2(13) no
F3 C21 F2 . . . 103.5(11) no
F1 C21 C22 . . . 113.4(9) no
F3 C21 C22 . . . 116.2(12) no
F2 C21 C22 . . . 110.2(12) no
O3 C22 C23 . . . 126.5(8) no
O3 C22 C21 . . . 114.1(9) no
C23 C22 C21 . . . 119.4(9) no
C22 C23 C24 . . . 123.4(8) no
C22 C23 H23 . . . 118.30 no
C24 C23 H23 . . . 118.30 no
O4 C24 C23 . . . 127.6(8) no
O4 C24 C25 . . . 116.4(9) no
C23 C24 C25 . . . 116.0(9) no
F4 C25 F5 . . . 103.(2) no
F4 C25 F6 . . . 106.5(15) no
F5 C25 F6 . . . 108.8(16) no
F4 C25 C24 . . . 117.2(13) no
F5 C25 C24 . . . 113.4(11) no
F6 C25 C24 . . . 107.3(19) no
F8 C26 F7 . . . 101.6(17) no
F8 C26 F9 . . . 104.8(19) no
F7 C26 F9 . . . 105.9(18) no
F8 C26 C27 . . . 112.9(16) no
F7 C26 C27 . . . 114.1(16) no
F9 C26 C27 . . . 116.2(13) no
O5 C27 C28 . . . 128.1(7) no
O5 C27 C26 . . . 113.8(9) no
C28 C27 C26 . . . 118.1(9) no
C29 C28 C27 . . . 120.6(7) no
C29 C28 H28 . . . 119.70 no
C27 C28 H28 . . . 119.70 no
O6 C29 C28 . . . 127.3(7) no
O6 C29 C30 . . . 113.7(7) no
C28 C29 C30 . . . 118.9(7) no
F10 C30 F12 . . . 103.9(9) no
F10 C30 F11 . . . 102.6(9) no
F12 C30 F11 . . . 107.3(9) no
F10 C30 C29 . . . 113.2(7) no
F12 C30 C29 . . . 115.3(8) no
F11 C30 C29 . . . 113.4(8) no
F14 C31 F15 . . . 109.0(9) no
F14 C31 F13 . . . 107.8(10) no
F15 C31 F13 . . . 99.3(9) no
F14 C31 C32 . . . 114.9(10) no
F15 C31 C32 . . . 114.6(8) no
F13 C31 C32 . . . 109.9(8) no
O7 C32 C33 . . . 128.6(6) no
O7 C32 C31 . . . 113.9(7) no
C33 C32 C31 . . . 117.5(7) no
C32 C33 C34 . . . 120.2(7) no
C32 C33 H33 . . . 119.90 no
C34 C33 H33 . . . 119.90 no
O8 C34 C33 . . . 128.8(7) no
O8 C34 C35 . . . 114.8(7) no
C33 C34 C35 . . . 116.4(7) no
F17 C35 F16 . . . 111.8(12) no
F17 C35 F18 . . . 96.1(10) no
F16 C35 F18 . . . 103.4(13) no
F17 C35 C34 . . . 112.8(12) no
F16 C35 C34 . . . 118.0(8) no
F18 C35 C34 . . . 112.2(11) no
C1 O1 Zn1 . . . 121.2(4) no
C1 O1 Eu1 . . . 137.8(4) no
Zn1 O1 Eu1 . . . 100.3(2) no
C11 O2 Zn1 . . . 119.2(4) no
C11 O2 Eu1 . . . 134.4(4) no
Zn1 O2 Eu1 . . . 100.06(19) no
C22 O3 Eu1 . . . 136.5(6) no
C24 O4 Eu1 . . . 134.4(6) no
C27 O5 Eu1 . . . 132.6(5) no
C29 O6 Eu1 . . . 135.4(5) no
C32 O7 Eu1 . . . 131.7(4) no
C34 O8 Eu1 . . . 127.9(4) no
C10 O9 C9 . . . 116.5(6) no
C10 O9 Zn1 . . . 123.1(4) no
C9 O9 Zn1 . . . 103.9(5) no
C19 O10 C20 . . . 115.4(7) 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
O1 Eu1 Zn1 O2 . . . . -163.0(3) no
O6 Eu1 Zn1 O2 . . . . 157.5(2) no
O7 Eu1 Zn1 O2 . . . . 66.1(3) no
O3 Eu1 Zn1 O2 . . . . -90.3(2) no
O5 Eu1 Zn1 O2 . . . . -128.0(4) no
O4 Eu1 Zn1 O2 . . . . -23.3(2) no
O8 Eu1 Zn1 O2 . . . . 96.2(2) no
O1 Eu1 Zn1 N2 . . . . -90.9(3) no
O6 Eu1 Zn1 N2 . . . . -130.4(2) no
O2 Eu1 Zn1 N2 . . . . 72.1(3) no
O7 Eu1 Zn1 N2 . . . . 138.2(3) no
O3 Eu1 Zn1 N2 . . . . -18.2(3) no
O5 Eu1 Zn1 N2 . . . . -55.9(4) no
O4 Eu1 Zn1 N2 . . . . 48.8(3) no
O8 Eu1 Zn1 N2 . . . . 168.3(2) no
O1 Eu1 Zn1 N1 . . . . 56.5(3) no
O6 Eu1 Zn1 N1 . . . . 17.0(3) no
O2 Eu1 Zn1 N1 . . . . -140.5(3) no
O7 Eu1 Zn1 N1 . . . . -74.4(3) no
O3 Eu1 Zn1 N1 . . . . 129.2(3) no
O5 Eu1 Zn1 N1 . . . . 91.5(4) no
O4 Eu1 Zn1 N1 . . . . -163.9(3) no
O8 Eu1 Zn1 N1 . . . . -44.3(2) no
O6 Eu1 Zn1 O1 . . . . -39.5(2) no
O2 Eu1 Zn1 O1 . . . . 163.0(3) no
O7 Eu1 Zn1 O1 . . . . -130.9(3) no
O3 Eu1 Zn1 O1 . . . . 72.8(3) no
O5 Eu1 Zn1 O1 . . . . 35.0(4) no
O4 Eu1 Zn1 O1 . . . . 139.7(2) no
O8 Eu1 Zn1 O1 . . . . -100.8(2) no
O1 Eu1 Zn1 O9 . . . . 151.4(3) no
O6 Eu1 Zn1 O9 . . . . 112.0(2) no
O2 Eu1 Zn1 O9 . . . . -45.6(3) no
O7 Eu1 Zn1 O9 . . . . 20.6(2) no
O3 Eu1 Zn1 O9 . . . . -135.8(2) no
O5 Eu1 Zn1 O9 . . . . -173.6(4) no
O4 Eu1 Zn1 O9 . . . . -68.9(2) no
O8 Eu1 Zn1 O9 . . . . 50.6(2) no
O2 Zn1 N1 C7 . . . . -107.5(6) no
N2 Zn1 N1 C7 . . . . 83.4(6) no
O1 Zn1 N1 C7 . . . . -24.4(6) no
O9 Zn1 N1 C7 . . . . 177.3(6) no
Eu1 Zn1 N1 C7 . . . . -59.3(6) no
O2 Zn1 N1 C8 . . . . 73.7(7) no
N2 Zn1 N1 C8 . . . . -95.3(6) no
O1 Zn1 N1 C8 . . . . 156.8(5) no
O9 Zn1 N1 C8 . . . . -1.5(5) no
Eu1 Zn1 N1 C8 . . . . 121.9(5) no
O2 Zn1 N2 C17 . . . . -22.3(6) no
N1 Zn1 N2 C17 . . . . 151.2(5) no
O1 Zn1 N2 C17 . . . . -109.2(6) no
O9 Zn1 N2 C17 . . . . 68.5(6) no
Eu1 Zn1 N2 C17 . . . . -63.9(6) no
O2 Zn1 N2 C18 . . . . 157.1(6) no
N1 Zn1 N2 C18 . . . . -29.4(7) no
O1 Zn1 N2 C18 . . . . 70.2(6) no
O9 Zn1 N2 C18 . . . . -112.1(6) no
Eu1 Zn1 N2 C18 . . . . 115.4(5) no
O1 C1 C2 C3 . . . . -179.6(8) no
C6 C1 C2 C3 . . . . 0.2(12) no
C1 C2 C3 C4 . . . . -2.0(16) no
C2 C3 C4 C5 . . . . 2.0(18) no
C3 C4 C5 C6 . . . . -0.1(18) no
O1 C1 C6 C5 . . . . -178.7(7) no
C2 C1 C6 C5 . . . . 1.6(11) no
O1 C1 C6 C7 . . . . 1.4(11) no
C2 C1 C6 C7 . . . . -178.4(7) no
C4 C5 C6 C1 . . . . -1.6(14) no
C4 C5 C6 C7 . . . . 178.3(10) no
C8 N1 C7 C6 . . . . -178.8(7) no
Zn1 N1 C7 C6 . . . . 2.5(11) no
C1 C6 C7 N1 . . . . 16.9(12) no
C5 C6 C7 N1 . . . . -163.1(8) no
C7 N1 C8 C9 . . . . -151.3(7) no
Zn1 N1 C8 C9 . . . . 27.5(8) no
N1 C8 C9 O9 . . . . -49.9(9) no
O2 C11 C12 C13 . . . . 179.7(9) no
C16 C11 C12 C13 . . . . -0.1(14) no
C11 C12 C13 C14 . . . . -0.6(17) no
C12 C13 C14 C15 . . . . -0.2(18) no
C13 C14 C15 C16 . . . . 1.8(17) no
C14 C15 C16 C17 . . . . -179.7(9) no
C14 C15 C16 C11 . . . . -2.6(14) no
O2 C11 C16 C15 . . . . -178.1(7) no
C12 C11 C16 C15 . . . . 1.7(12) no
O2 C11 C16 C17 . . . . -1.2(12) no
C12 C11 C16 C17 . . . . 178.6(8) no
C18 N2 C17 C16 . . . . 178.4(7) no
Zn1 N2 C17 C16 . . . . -2.2(11) no
C15 C16 C17 N2 . . . . -161.5(8) no
C11 C16 C17 N2 . . . . 21.6(13) no
C17 N2 C18 C19 . . . . -113.6(8) no
Zn1 N2 C18 C19 . . . . 67.0(8) no
N2 C18 C19 O10 . . . . 60.7(9) no
F1 C21 C22 O3 . . . . 59.7(16) no
F3 C21 C22 O3 . . . . -170.2(12) no
F2 C21 C22 O3 . . . . -53.0(13) no
F1 C21 C22 C23 . . . . -119.3(13) no
F3 C21 C22 C23 . . . . 10.7(19) no
F2 C21 C22 C23 . . . . 128.0(12) no
O3 C22 C23 C24 . . . . -0.7(17) no
C21 C22 C23 C24 . . . . 178.2(10) no
C22 C23 C24 O4 . . . . -3.1(18) no
C22 C23 C24 C25 . . . . 178.8(13) no
O4 C24 C25 F4 . . . . -149.1(18) no
C23 C24 C25 F4 . . . . 29.(3) no
O4 C24 C25 F5 . . . . -29.(2) no
C23 C24 C25 F5 . . . . 149.3(16) no
O4 C24 C25 F6 . . . . 91.2(19) no
C23 C24 C25 F6 . . . . -90.6(18) no
F8 C26 C27 O5 . . . . 54.(2) no
F7 C26 C27 O5 . . . . -62.(3) no
F9 C26 C27 O5 . . . . 174.6(17) no
F8 C26 C27 C28 . . . . -128.2(19) no
F7 C26 C27 C28 . . . . 117.(2) no
F9 C26 C27 C28 . . . . -7.(3) no
O5 C27 C28 C29 . . . . 0.8(16) no
C26 C27 C28 C29 . . . . -177.2(12) no
C27 C28 C29 O6 . . . . -4.8(14) no
C27 C28 C29 C30 . . . . 174.6(9) no
O6 C29 C30 F10 . . . . -49.0(12) no
C28 C29 C30 F10 . . . . 131.5(10) no
O6 C29 C30 F12 . . . . -168.4(9) no
C28 C29 C30 F12 . . . . 12.1(13) no
O6 C29 C30 F11 . . . . 67.3(11) no
C28 C29 C30 F11 . . . . -112.2(10) no
F14 C31 C32 O7 . . . . -59.0(12) no
F15 C31 C32 O7 . . . . 173.6(9) no
F13 C31 C32 O7 . . . . 62.8(12) no
F14 C31 C32 C33 . . . . 120.9(11) no
F15 C31 C32 C33 . . . . -6.5(14) no
F13 C31 C32 C33 . . . . -117.2(9) no
O7 C32 C33 C34 . . . . -6.7(13) no
C31 C32 C33 C34 . . . . 173.3(8) no
C32 C33 C34 O8 . . . . 3.1(13) no
C32 C33 C34 C35 . . . . -175.(1) no
O8 C34 C35 F17 . . . . -63.9(17) no
C33 C34 C35 F17 . . . . 114.4(13) no
O8 C34 C35 F16 . . . . 163.3(12) no
C33 C34 C35 F16 . . . . -18.3(18) no
O8 C34 C35 F18 . . . . 43.3(16) no
C33 C34 C35 F18 . . . . -138.3(11) no
C2 C1 O1 Zn1 . . . . 145.2(6) no
C6 C1 O1 Zn1 . . . . -34.5(9) no
C2 C1 O1 Eu1 . . . . -46.3(10) no
C6 C1 O1 Eu1 . . . . 134.0(6) no
O2 Zn1 O1 C1 . . . . -176.1(5) no
N2 Zn1 O1 C1 . . . . -84.3(6) no
N1 Zn1 O1 C1 . . . . 40.3(5) no
O9 Zn1 O1 C1 . . . . 101.1(7) no
Eu1 Zn1 O1 C1 . . . . 172.2(6) no
O2 Zn1 O1 Eu1 . . . . 11.79(19) no
N2 Zn1 O1 Eu1 . . . . 103.6(2) no
N1 Zn1 O1 Eu1 . . . . -131.9(2) no
O9 Zn1 O1 Eu1 . . . . -71.0(5) no
O6 Eu1 O1 C1 . . . . -29.3(7) no
O2 Eu1 O1 C1 . . . . 179.6(7) no
O7 Eu1 O1 C1 . . . . -84.6(7) no
O3 Eu1 O1 C1 . . . . 89.9(7) no
O5 Eu1 O1 C1 . . . . 26.3(8) no
O4 Eu1 O1 C1 . . . . 130.4(7) no
O8 Eu1 O1 C1 . . . . -103.9(7) no
Zn1 Eu1 O1 C1 . . . . -170.0(8) no
O6 Eu1 O1 Zn1 . . . . 140.7(2) no
O2 Eu1 O1 Zn1 . . . . -10.37(17) no
O7 Eu1 O1 Zn1 . . . . 85.4(3) no
O3 Eu1 O1 Zn1 . . . . -100.1(2) no
O5 Eu1 O1 Zn1 . . . . -163.73(18) no
O4 Eu1 O1 Zn1 . . . . -59.6(3) no
O8 Eu1 O1 Zn1 . . . . 66.12(19) no
C12 C11 O2 Zn1 . . . . 147.2(6) no
C16 C11 O2 Zn1 . . . . -33.0(9) no
C12 C11 O2 Eu1 . . . . -67.1(10) no
C16 C11 O2 Eu1 . . . . 112.8(7) no
N2 Zn1 O2 C11 . . . . 39.2(5) no
N1 Zn1 O2 C11 . . . . -131.6(6) no
O1 Zn1 O2 C11 . . . . 144.3(5) no
O9 Zn1 O2 C11 . . . . -60.1(5) no
Eu1 Zn1 O2 C11 . . . . 155.9(6) no
N2 Zn1 O2 Eu1 . . . . -116.6(2) no
N1 Zn1 O2 Eu1 . . . . 72.5(4) no
O1 Zn1 O2 Eu1 . . . . -11.58(19) no
O9 Zn1 O2 Eu1 . . . . 144.06(19) no
O1 Eu1 O2 C11 . . . . -139.5(7) no
O6 Eu1 O2 C11 . . . . 177.4(6) no
O7 Eu1 O2 C11 . . . . 79.3(7) no
O3 Eu1 O2 C11 . . . . -64.1(7) no
O5 Eu1 O2 C11 . . . . -15.2(9) no
O4 Eu1 O2 C11 . . . . 7.9(6) no
O8 Eu1 O2 C11 . . . . 140.2(7) no
Zn1 Eu1 O2 C11 . . . . -150.0(8) no
O1 Eu1 O2 Zn1 . . . . 10.55(18) no
O6 Eu1 O2 Zn1 . . . . -32.5(3) no
O7 Eu1 O2 Zn1 . . . . -130.71(19) no
O3 Eu1 O2 Zn1 . . . . 85.9(2) no
O5 Eu1 O2 Zn1 . . . . 134.8(4) no
O4 Eu1 O2 Zn1 . . . . 157.9(2) no
O8 Eu1 O2 Zn1 . . . . -69.76(19) no
C23 C22 O3 Eu1 . . . . 6.5(14) no
C21 C22 O3 Eu1 . . . . -172.5(7) no
O1 Eu1 O3 C22 . . . . 145.6(8) no
O6 Eu1 O3 C22 . . . . -147.4(7) no
O2 Eu1 O3 C22 . . . . 73.7(7) no
O7 Eu1 O3 C22 . . . . -39.7(9) no
O5 Eu1 O3 C22 . . . . -85.5(7) no
O4 Eu1 O3 C22 . . . . -5.8(7) no
O8 Eu1 O3 C22 . . . . 120.3(7) no
Zn1 Eu1 O3 C22 . . . . 109.6(7) no
C23 C24 O4 Eu1 . . . . 1.4(16) no
C25 C24 O4 Eu1 . . . . 179.4(11) no
O1 Eu1 O4 C24 . . . . -39.5(9) no
O6 Eu1 O4 C24 . . . . 105.7(8) no
O2 Eu1 O4 C24 . . . . -86.5(8) no
O7 Eu1 O4 C24 . . . . 161.1(9) no
O3 Eu1 O4 C24 . . . . 1.8(8) no
O5 Eu1 O4 C24 . . . . 82.8(8) no
O8 Eu1 O4 C24 . . . . -146.0(8) no
Zn1 Eu1 O4 C24 . . . . -72.9(8) no
C28 C27 O5 Eu1 . . . . 20.7(16) no
C26 C27 O5 Eu1 . . . . -161.2(11) no
O1 Eu1 O5 C27 . . . . -82.5(9) no
O6 Eu1 O5 C27 . . . . -24.2(8) no
O2 Eu1 O5 C27 . . . . 165.0(7) no
O7 Eu1 O5 C27 . . . . 62.4(8) no
O3 Eu1 O5 C27 . . . . -144.7(9) no
O4 Eu1 O5 C27 . . . . 141.7(9) no
O8 Eu1 O5 C27 . . . . 17.(1) no
Zn1 Eu1 O5 C27 . . . . -106.2(8) no
C28 C29 O6 Eu1 . . . . -13.8(12) no
C30 C29 O6 Eu1 . . . . 166.7(6) no
O1 Eu1 O6 C29 . . . . 153.5(7) no
O2 Eu1 O6 C29 . . . . -164.7(6) no
O7 Eu1 O6 C29 . . . . -56.1(7) no
O3 Eu1 O6 C29 . . . . 87.5(7) no
O5 Eu1 O6 C29 . . . . 21.4(7) no
O4 Eu1 O6 C29 . . . . -2.2(8) no
O8 Eu1 O6 C29 . . . . -127.2(7) no
Zn1 Eu1 O6 C29 . . . . 176.4(7) no
C33 C32 O7 Eu1 . . . . -23.3(13) no
C31 C32 O7 Eu1 . . . . 156.7(6) no
O1 Eu1 O7 C32 . . . . 13.7(8) no
O6 Eu1 O7 C32 . . . . -39.9(7) no
O2 Eu1 O7 C32 . . . . 96.6(7) no
O3 Eu1 O7 C32 . . . . -157.7(6) no
O5 Eu1 O7 C32 . . . . -111.6(7) no
O4 Eu1 O7 C32 . . . . 169.4(7) no
O8 Eu1 O7 C32 . . . . 33.6(7) no
Zn1 Eu1 O7 C32 . . . . 62.5(7) no
C33 C34 O8 Eu1 . . . . 27.5(11) no
C35 C34 O8 Eu1 . . . . -154.4(8) no
O1 Eu1 O8 C34 . . . . 133.0(6) no
O6 Eu1 O8 C34 . . . . 53.2(6) no
O2 Eu1 O8 C34 . . . . -152.8(6) no
O7 Eu1 O8 C34 . . . . -34.9(6) no
O3 Eu1 O8 C34 . . . . 158.0(6) no
O5 Eu1 O8 C34 . . . . 12.5(7) no
O4 Eu1 O8 C34 . . . . -90.8(6) no
Zn1 Eu1 O8 C34 . . . . 169.9(6) no
C20 C10 O9 C9 3_676 . . . -92.2(8) no
C20 C10 O9 Zn1 3_676 . . . 137.6(5) no
C8 C9 O9 C10 . . . . -93.6(8) no
C8 C9 O9 Zn1 . . . . 45.1(7) no
O2 Zn1 O9 C10 . . . . -33.8(5) no
N2 Zn1 O9 C10 . . . . -126.6(6) no
N1 Zn1 O9 C10 . . . . 111.0(6) no
O1 Zn1 O9 C10 . . . . 48.1(8) no
Eu1 Zn1 O9 C10 . . . . -3.9(6) no
O2 Zn1 O9 C9 . . . . -169.1(5) no
N2 Zn1 O9 C9 . . . . 98.2(5) no
N1 Zn1 O9 C9 . . . . -24.2(5) no
O1 Zn1 O9 C9 . . . . -87.1(7) no
Eu1 Zn1 O9 C9 . . . . -139.2(4) no
C18 C19 O10 C20 . . . . 175.3(7) no
C10 C20 O10 C19 3_676 . . . -173.3(7) 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_s
_database_code_depnum_ccdc_archive 'CCDC 970647'
_audit_update_record             
;
2013-11-07 deposited with the CCDC.
2015-12-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H50 F36 N4 O20 Tb2 Zn2'
_chemical_formula_weight         2399.72

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'
F F 0.0171 0.0103 '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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.083(2)
_cell_length_b                   21.147(4)
_cell_length_c                   19.121(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.84(2)
_cell_angle_gamma                90.00
_cell_volume                     4434(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2344
_exptl_absorpt_coefficient_mu    2.253
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17999
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.22
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7793
_reflns_number_gt                5705
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1065P)²+7.6100P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7793
_refine_ls_number_parameters     604
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0608
_refine_ls_wR_factor_ref         0.1875
_refine_ls_wR_factor_gt          0.1690
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.051
_refine_ls_shift/su_mean         0.006

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.26097(3) 0.947005(16) 0.75833(2) 0.05107(17) Uani 1 1 d . . .
Zn1 Zn 0.44943(9) 0.95274(4) 0.67173(6) 0.0616(3) Uani 1 1 d . . .
O1 O 0.3810(6) 1.0319(3) 0.8302(4) 0.0771(17) Uani 1 1 d . . .
O2 O 0.1343(6) 1.0391(3) 0.7299(4) 0.0702(16) Uani 1 1 d . . .
O3 O 0.2048(7) 0.9551(3) 0.8632(4) 0.0780(18) Uani 1 1 d . . .
O4 O 0.3072(5) 0.8520(3) 0.8271(3) 0.0650(15) Uani 1 1 d . . .
O5 O 0.4594(5) 0.9244(3) 0.7759(3) 0.0600(13) Uani 1 1 d . . .
O6 O 0.2930(5) 0.9911(2) 0.6558(3) 0.0572(13) Uani 1 1 d . . .
O7 O 0.0612(5) 0.9053(3) 0.7099(4) 0.0731(17) Uani 1 1 d . . .
O8 O 0.2381(5) 0.8614(2) 0.6668(3) 0.0623(14) Uani 1 1 d . . .
N1 N 0.5304(7) 0.8707(4) 0.6650(5) 0.0705(19) Uani 1 1 d . . .
O9 O 0.3924(6) 0.9459(3) 0.5433(4) 0.0745(18) Uani 1 1 d . . .
N3 N 0.5342(7) 1.0376(4) 0.6926(4) 0.0687(19) Uani 1 1 d . . .
C1 C 0.2589(10) 1.1229(5) 0.8032(7) 0.099(4) Uani 1 1 d . . .
H1 H 0.2581 1.1658 0.8139 0.119 Uiso 1 1 calc R . .
C2 C 0.6960(13) 0.8773(7) 0.9600(7) 0.120(4) Uani 1 1 d . . .
H2 H 0.7208 0.8865 1.0120 0.144 Uiso 1 1 calc R . .
C3 C -0.1051(10) 0.8379(5) 0.6871(8) 0.102(4) Uani 1 1 d D . .
O10 O 0.2969(6) 0.9558(3) 0.3758(4) 0.0816(18) Uani 1 1 d . . .
C5 C 0.1762(8) 0.8120(4) 0.6552(5) 0.062(2) Uani 1 1 d . . .
C6 C 0.2601(9) 1.0450(4) 0.6155(5) 0.065(2) Uani 1 1 d . . .
C7 C 0.6245(8) 0.8523(5) 0.8037(6) 0.075(3) Uani 1 1 d . . .
C8 C 0.0205(7) 0.8508(4) 0.6890(5) 0.064(2) Uani 1 1 d . . .
C9 C 0.3446(8) 1.0920(4) 0.6201(5) 0.064(2) Uani 1 1 d . . .
C10 C 0.2715(8) 0.8250(4) 0.8726(5) 0.059(2) Uani 1 1 d . . .
C11 C 0.3634(9) 1.0903(5) 0.8377(6) 0.075(3) Uani 1 1 d . . .
C12 C 0.4735(9) 1.0882(4) 0.6660(5) 0.072(2) Uani 1 1 d . . .
H12 H 0.5169 1.1260 0.6773 0.086 Uiso 1 1 calc R . .
C13 C 0.5977(9) 0.8397(4) 0.7237(7) 0.072(3) Uani 1 1 d . . .
H13 H 0.6350 0.8042 0.7146 0.087 Uiso 1 1 calc R . .
C14 C 0.5573(8) 0.8954(4) 0.8271(5) 0.062(2) Uani 1 1 d . . .
C15 C 0.1364(9) 1.0557(5) 0.5706(6) 0.085(3) Uani 1 1 d . . .
H15 H 0.0799 1.0255 0.5697 0.102 Uiso 1 1 calc R . .
C16 C 0.2692(8) 0.9347(4) 0.4886(6) 0.068(2) Uani 1 1 d . . .
H16A H 0.2144 0.9426 0.5129 0.082 Uiso 1 1 calc R . .
H16B H 0.2605 0.8907 0.4728 0.082 Uiso 1 1 calc R . .
C17 C 0.5097(9) 0.8501(5) 0.5884(6) 0.078(3) Uani 1 1 d . . .
H17A H 0.4410 0.8213 0.5687 0.094 Uiso 1 1 calc R . .
H17B H 0.5811 0.8279 0.5902 0.094 Uiso 1 1 calc R . .
C18 C 0.4842(9) 0.9067(5) 0.5360(6) 0.078(3) Uani 1 1 d . . .
H18A H 0.5584 0.9309 0.5494 0.094 Uiso 1 1 calc R . .
H18B H 0.4565 0.8926 0.4831 0.094 Uiso 1 1 calc R . .
C19 C 0.1797(10) 0.9154(5) 0.9017(6) 0.080(3) Uani 1 1 d . . .
C20 C 0.2344(8) 0.9757(5) 0.4196(5) 0.074(2) Uani 1 1 d . . .
H20A H 0.1471 0.9731 0.3887 0.089 Uiso 1 1 calc R . .
H20B H 0.2549 1.0193 0.4354 0.089 Uiso 1 1 calc R . .
C21 C 0.2200(16) 0.7568(6) 0.6225(11) 0.121(5) Uani 1 1 d . . .
C22 C 0.2649(9) 0.9866(5) 0.3054(5) 0.082(3) Uani 1 1 d . . .
H22A H 0.2861 1.0310 0.3142 0.098 Uiso 1 1 calc R . .
H22B H 0.1776 0.9834 0.2749 0.098 Uiso 1 1 calc R . .
C23 C 0.0725(7) 0.8021(4) 0.6665(5) 0.061(2) Uani 1 1 d . . .
H23 H 0.0375 0.7621 0.6588 0.073 Uiso 1 1 calc R . .
C24 C 0.6698(10) 1.0427(5) 0.7368(6) 0.087(3) Uani 1 1 d . . .
H24A H 0.6924 1.0869 0.7462 0.104 Uiso 1 1 calc R . .
H24B H 0.6941 1.0219 0.7863 0.104 Uiso 1 1 calc R . .
C25 C 0.4796(14) 1.1277(7) 0.8870(8) 0.121(5) Uani 1 1 d D . .
C26 C 0.1535(9) 1.0947(4) 0.7526(7) 0.086(3) Uani 1 1 d D . .
C27 C 0.2063(9) 0.8512(5) 0.9088(6) 0.079(3) Uani 1 1 d . . .
H27 H 0.1796 0.8258 0.9384 0.094 Uiso 1 1 calc R . .
C28 C 0.3028(12) 1.1479(5) 0.5780(7) 0.095(3) Uani 1 1 d . . .
H28 H 0.3583 1.1793 0.5807 0.115 Uiso 1 1 calc R . .
C29 C 0.1773(13) 1.1571(6) 0.5314(8) 0.121(5) Uani 1 1 d . . .
H29 H 0.1502 1.1945 0.5039 0.145 Uiso 1 1 calc R . .
C30 C 0.3095(11) 0.7566(5) 0.8872(6) 0.082(3) Uani 1 1 d . . .
C31 C 0.5930(10) 0.9058(5) 0.9046(6) 0.086(3) Uani 1 1 d . . .
H31 H 0.5468 0.9327 0.9204 0.103 Uiso 1 1 calc R . .
C32 C 0.0957(13) 1.1106(6) 0.5271(8) 0.119(4) Uani 1 1 d . . .
H32 H 0.0133 1.1157 0.4952 0.143 Uiso 1 1 calc R . .
C33 C 0.7261(10) 0.8226(6) 0.8611(8) 0.104(4) Uani 1 1 d . . .
H33 H 0.7708 0.7935 0.8470 0.125 Uiso 1 1 calc R . .
C34 C 0.7604(12) 0.8356(7) 0.9372(8) 0.116(4) Uani 1 1 d . . .
H34 H 0.8287 0.8157 0.9740 0.139 Uiso 1 1 calc R . .
C36 C 0.094(3) 0.9378(8) 0.9423(15) 0.183(12) Uani 1 1 d . . .
F1 F 0.5332(10) 1.0944(7) 0.9581(7) 0.214(6) Uani 1 1 d D . .
F2 F 0.4646(10) 1.1813(5) 0.9046(8) 0.222(6) Uani 1 1 d . . .
F3 F 0.5659(9) 1.1201(6) 0.8689(7) 0.195(5) Uani 1 1 d . . .
F4 F -0.1892(7) 0.8775(4) 0.6401(7) 0.163(4) Uani 1 1 d . . .
F5 F -0.1532(6) 0.7846(4) 0.6650(6) 0.145(3) Uani 1 1 d . . .
F6 F -0.1022(8) 0.8483(7) 0.7580(6) 0.214(6) Uani 1 1 d D . .
F7 F 0.213(2) 0.7678(6) 0.5572(9) 0.286(10) Uani 1 1 d . . .
F8 F 0.3354(12) 0.7526(5) 0.6534(12) 0.246(8) Uani 1 1 d . . .
F9 F 0.1776(10) 0.7033(3) 0.6269(7) 0.189(5) Uani 1 1 d . . .
F10 F 0.2839(10) 0.7246(3) 0.8247(5) 0.160(4) Uani 1 1 d . . .
F11 F 0.4241(9) 0.7496(4) 0.9257(7) 0.192(5) Uani 1 1 d . . .
F12 F 0.2577(11) 0.7245(4) 0.9237(7) 0.186(5) Uani 1 1 d . . .
F13 F 0.0649(12) 1.1955(5) 0.7005(11) 0.305(11) Uani 1 1 d D . .
F14 F 0.0711(18) 0.9021(6) 0.9787(11) 0.268(9) Uani 1 1 d . . .
F15 F 0.167(2) 0.9755(13) 0.9971(15) 0.341(15) Uani 1 1 d . . .
F16 F 0.029(2) 0.9775(13) 0.9103(11) 0.289(12) Uani 1 1 d . . .
F17 F -0.0350(10) 1.1239(5) 0.6492(9) 0.257(9) Uani 1 1 d D . .
C35 C 0.0406(12) 1.1347(6) 0.7279(11) 0.168(9) Uani 1 1 d D . .
F18 F -0.0074(18) 1.1439(11) 0.7628(13) 0.375(16) 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
Tb1 O5 2.326(6) . ?
Tb1 O4 2.337(5) . ?
Tb1 O6 2.345(5) . ?
Tb1 O1 2.353(6) . ?
Tb1 O7 2.363(6) . ?
Tb1 O3 2.378(6) . ?
Tb1 O2 2.393(6) . ?
Tb1 O8 2.451(5) . ?
Tb1 Zn1 3.3331(12) . ?
Zn1 O6 1.960(5) . ?
Zn1 N3 2.021(7) . ?
Zn1 N1 2.023(8) . ?
Zn1 O5 2.035(5) . ?
Zn1 O9 2.259(7) . ?
O1 C11 1.273(11) . ?
O2 C26 1.242(10) . ?
O3 C19 1.235(11) . ?
O4 C10 1.258(9) . ?
O5 C14 1.327(10) . ?
O6 C6 1.339(9) . ?
O7 C8 1.250(10) . ?
O8 C5 1.248(9) . ?
N1 C13 1.258(12) . ?
N1 C17 1.444(11) . ?
O9 C16 1.434(11) . ?
O9 C18 1.438(11) . ?
N3 C12 1.275(12) . ?
N3 C24 1.499(13) . ?
C1 C11 1.343(14) . ?
C1 C26 1.371(14) . ?
C1 H1 0.9300 . ?
C2 C34 1.364(18) . ?
C2 C31 1.388(15) . ?
C2 H2 0.9300 . ?
C3 F6 1.359(13) . ?
C3 F5 1.257(12) . ?
C3 F4 1.332(13) . ?
C3 C8 1.527(13) . ?
O10 C22 1.396(11) . ?
O10 C20 1.406(11) . ?
C5 C23 1.375(11) . ?
C5 C21 1.520(14) . ?
C6 C9 1.400(12) . ?
C6 C15 1.395(13) . ?
C7 C33 1.406(14) . ?
C7 C14 1.414(13) . ?
C7 C13 1.447(14) . ?
C8 C23 1.367(11) . ?
C9 C28 1.400(12) . ?
C9 C12 1.433(13) . ?
C10 C27 1.366(12) . ?
C10 C30 1.509(13) . ?
C11 C25 1.541(15) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C31 1.377(12) . ?
C15 C32 1.391(14) . ?
C15 H15 0.9300 . ?
C16 C20 1.484(13) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.506(14) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C27 1.390(14) . ?
C19 C36 1.60(2) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 F7 1.238(18) . ?
C21 F9 1.260(14) . ?
C21 F8 1.27(2) . ?
C22 C24 1.480(14) 3_676 ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23 0.9300 . ?
C24 C22 1.480(14) 3_676 ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 F3 1.238(15) . ?
C25 F2 1.217(15) . ?
C25 F1 1.423(14) . ?
C26 C35 1.502(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.413(16) . ?
C28 H28 0.9300 . ?
C29 C32 1.371(17) . ?
C29 H29 0.9300 . ?
C30 F11 1.275(13) . ?
C30 F10 1.294(12) . ?
C30 F12 1.307(12) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.361(18) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C36 F16 1.14(2) . ?
C36 F14 1.141(18) . ?
C36 F15 1.32(3) . ?
F13 C35 1.464(16) . ?
F15 F16 1.79(3) . ?
F17 C35 1.412(16) . ?
C35 F18 1.07(2) . ?

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
O5 Tb1 O4 75.75(19) . . ?
O5 Tb1 O6 71.37(19) . . ?
O4 Tb1 O6 136.72(18) . . ?
O5 Tb1 O1 74.2(2) . . ?
O4 Tb1 O1 112.6(2) . . ?
O6 Tb1 O1 84.6(2) . . ?
O5 Tb1 O7 143.2(2) . . ?
O4 Tb1 O7 82.1(2) . . ?
O6 Tb1 O7 108.7(2) . . ?
O1 Tb1 O7 142.3(2) . . ?
O5 Tb1 O3 122.3(2) . . ?
O4 Tb1 O3 70.9(2) . . ?
O6 Tb1 O3 151.86(18) . . ?
O1 Tb1 O3 77.1(2) . . ?
O7 Tb1 O3 75.6(2) . . ?
O5 Tb1 O2 136.2(2) . . ?
O4 Tb1 O2 143.7(2) . . ?
O6 Tb1 O2 78.5(2) . . ?
O1 Tb1 O2 72.0(2) . . ?
O7 Tb1 O2 76.4(2) . . ?
O3 Tb1 O2 75.6(2) . . ?
O5 Tb1 O8 75.65(19) . . ?
O4 Tb1 O8 72.3(2) . . ?
O6 Tb1 O8 72.92(17) . . ?
O1 Tb1 O8 146.8(2) . . ?
O7 Tb1 O8 69.76(19) . . ?
O3 Tb1 O8 131.96(19) . . ?
O2 Tb1 O8 124.7(2) . . ?
O5 Tb1 Zn1 37.03(13) . . ?
O4 Tb1 Zn1 105.02(13) . . ?
O6 Tb1 Zn1 35.23(13) . . ?
O1 Tb1 Zn1 83.12(16) . . ?
O7 Tb1 Zn1 128.13(16) . . ?
O3 Tb1 Zn1 155.90(19) . . ?
O2 Tb1 Zn1 111.24(16) . . ?
O8 Tb1 Zn1 64.42(12) . . ?
O6 Zn1 N3 92.2(3) . . ?
O6 Zn1 N1 143.7(3) . . ?
N3 Zn1 N1 123.8(3) . . ?
O6 Zn1 O5 86.0(2) . . ?
N3 Zn1 O5 104.6(3) . . ?
N1 Zn1 O5 88.8(3) . . ?
O6 Zn1 O9 91.4(2) . . ?
N3 Zn1 O9 99.7(3) . . ?
N1 Zn1 O9 79.1(3) . . ?
O5 Zn1 O9 155.6(2) . . ?
O6 Zn1 Tb1 43.66(15) . . ?
N3 Zn1 Tb1 109.2(2) . . ?
N1 Zn1 Tb1 116.8(2) . . ?
O5 Zn1 Tb1 43.49(16) . . ?
O9 Zn1 Tb1 125.28(18) . . ?
C11 O1 Tb1 135.7(6) . . ?
C26 O2 Tb1 133.1(6) . . ?
C19 O3 Tb1 133.0(6) . . ?
C10 O4 Tb1 135.1(5) . . ?
C14 O5 Zn1 121.7(5) . . ?
C14 O5 Tb1 138.3(5) . . ?
Zn1 O5 Tb1 99.5(2) . . ?
C6 O6 Zn1 118.4(5) . . ?
C6 O6 Tb1 134.9(5) . . ?
Zn1 O6 Tb1 101.1(2) . . ?
C8 O7 Tb1 132.0(5) . . ?
C5 O8 Tb1 128.7(5) . . ?
C13 N1 C17 121.4(8) . . ?
C13 N1 Zn1 122.5(7) . . ?
C17 N1 Zn1 116.1(6) . . ?
C16 O9 C18 116.1(7) . . ?
C16 O9 Zn1 123.6(6) . . ?
C18 O9 Zn1 104.3(5) . . ?
C12 N3 C24 118.3(8) . . ?
C12 N3 Zn1 120.5(6) . . ?
C24 N3 Zn1 121.2(6) . . ?
C11 C1 C26 121.8(9) . . ?
C11 C1 H1 119.1 . . ?
C26 C1 H1 119.1 . . ?
C34 C2 C31 119.1(12) . . ?
C34 C2 H2 120.4 . . ?
C31 C2 H2 120.4 . . ?
F6 C3 F5 107.1(11) . . ?
F6 C3 F4 105.3(11) . . ?
F5 C3 F4 102.8(10) . . ?
F6 C3 C8 109.8(10) . . ?
F5 C3 C8 118.9(10) . . ?
F4 C3 C8 111.8(9) . . ?
C22 O10 C20 115.8(8) . . ?
O8 C5 C23 128.1(8) . . ?
O8 C5 C21 115.5(8) . . ?
C23 C5 C21 116.4(8) . . ?
O6 C6 C9 122.4(8) . . ?
O6 C6 C15 118.3(8) . . ?
C9 C6 C15 119.2(8) . . ?
C33 C7 C14 118.0(11) . . ?
C33 C7 C13 118.6(10) . . ?
C14 C7 C13 123.3(9) . . ?
O7 C8 C23 128.6(8) . . ?
O7 C8 C3 115.2(8) . . ?
C23 C8 C3 116.1(8) . . ?
C6 C9 C28 119.1(9) . . ?
C6 C9 C12 125.1(8) . . ?
C28 C9 C12 115.9(8) . . ?
O4 C10 C27 127.3(8) . . ?
O4 C10 C30 113.4(8) . . ?
C27 C10 C30 119.3(8) . . ?
O1 C11 C1 127.6(9) . . ?
O1 C11 C25 114.5(10) . . ?
C1 C11 C25 117.7(10) . . ?
N3 C12 C9 125.9(8) . . ?
N3 C12 H12 117.1 . . ?
C9 C12 H12 117.1 . . ?
N1 C13 C7 128.4(9) . . ?
N1 C13 H13 115.8 . . ?
C7 C13 H13 115.8 . . ?
O5 C14 C31 119.9(8) . . ?
O5 C14 C7 121.2(8) . . ?
C31 C14 C7 118.8(9) . . ?
C32 C15 C6 121.4(10) . . ?
C32 C15 H15 119.3 . . ?
C6 C15 H15 119.3 . . ?
O9 C16 C20 111.8(7) . . ?
O9 C16 H16A 109.2 . . ?
C20 C16 H16A 109.2 . . ?
O9 C16 H16B 109.3 . . ?
C20 C16 H16B 109.3 . . ?
H16A C16 H16B 107.9 . . ?
N1 C17 C18 109.6(7) . . ?
N1 C17 H17A 109.8 . . ?
C18 C17 H17A 109.8 . . ?
N1 C17 H17B 109.8 . . ?
C18 C17 H17B 109.8 . . ?
H17A C17 H17B 108.2 . . ?
O9 C18 C17 110.2(7) . . ?
O9 C18 H18A 109.6 . . ?
C17 C18 H18A 109.6 . . ?
O9 C18 H18B 109.6 . . ?
C17 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
O3 C19 C27 128.2(9) . . ?
O3 C19 C36 117.2(10) . . ?
C27 C19 C36 114.3(10) . . ?
O10 C20 C16 109.4(8) . . ?
O10 C20 H20A 109.8 . . ?
C16 C20 H20A 109.8 . . ?
O10 C20 H20B 109.8 . . ?
C16 C20 H20B 109.8 . . ?
H20A C20 H20B 108.2 . . ?
F7 C21 F9 112.2(15) . . ?
F7 C21 F8 94.5(14) . . ?
F9 C21 F8 107.6(17) . . ?
F7 C21 C5 112.5(16) . . ?
F9 C21 C5 116.2(9) . . ?
F8 C21 C5 111.6(12) . . ?
O10 C22 C24 109.6(9) . 3_676 ?
O10 C22 H22A 109.7 . . ?
C24 C22 H22A 109.7 3_676 . ?
O10 C22 H22B 109.7 . . ?
C24 C22 H22B 109.7 3_676 . ?
H22A C22 H22B 108.2 . . ?
C8 C23 C5 120.3(7) . . ?
C8 C23 H23 119.9 . . ?
C5 C23 H23 119.9 . . ?
C22 C24 N3 111.7(8) 3_676 . ?
C22 C24 H24A 109.3 3_676 . ?
N3 C24 H24A 109.3 . . ?
C22 C24 H24B 109.3 3_676 . ?
N3 C24 H24B 109.3 . . ?
H24A C24 H24B 107.9 . . ?
F3 C25 F2 116.0(16) . . ?
F3 C25 F1 95.9(14) . . ?
F2 C25 F1 105.0(13) . . ?
F3 C25 C11 114.9(10) . . ?
F2 C25 C11 116.3(13) . . ?
F1 C25 C11 105.2(12) . . ?
O2 C26 C1 129.8(9) . . ?
O2 C26 C35 114.3(9) . . ?
C1 C26 C35 115.4(9) . . ?
C10 C27 C19 120.3(8) . . ?
C10 C27 H27 119.8 . . ?
C19 C27 H27 119.8 . . ?
C9 C28 C29 120.8(10) . . ?
C9 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
C32 C29 C28 119.5(10) . . ?
C32 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
F11 C30 F10 104.7(11) . . ?
F11 C30 F12 106.2(10) . . ?
F10 C30 F12 103.9(10) . . ?
F11 C30 C10 112.9(9) . . ?
F10 C30 C10 113.3(8) . . ?
F12 C30 C10 114.9(10) . . ?
C14 C31 C2 121.8(11) . . ?
C14 C31 H31 119.1 . . ?
C2 C31 H31 119.1 . . ?
C29 C32 C15 119.9(12) . . ?
C29 C32 H32 120.1 . . ?
C15 C32 H32 120.1 . . ?
C34 C33 C7 121.2(12) . . ?
C34 C33 H33 119.4 . . ?
C7 C33 H33 119.4 . . ?
C33 C34 C2 120.9(11) . . ?
C33 C34 H34 119.6 . . ?
C2 C34 H34 119.5 . . ?
F16 C36 F14 121(3) . . ?
F16 C36 F15 93.5(19) . . ?
F14 C36 F15 100(2) . . ?
F16 C36 C19 113.7(15) . . ?
F14 C36 C19 118.4(15) . . ?
F15 C36 C19 102(2) . . ?
C36 F15 F16 39.4(12) . . ?
C36 F16 F15 47.1(18) . . ?
F18 C35 F17 114.6(18) . . ?
F18 C35 F13 107.8(16) . . ?
F17 C35 F13 84.3(13) . . ?
F18 C35 C26 124.3(18) . . ?
F17 C35 C26 109.9(12) . . ?
F13 C35 C26 108.4(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
O5 Tb1 Zn1 O6 -163.2(3) . . . . ?
O4 Tb1 Zn1 O6 157.9(3) . . . . ?
O1 Tb1 Zn1 O6 -90.5(3) . . . . ?
O7 Tb1 Zn1 O6 66.2(3) . . . . ?
O3 Tb1 Zn1 O6 -125.3(4) . . . . ?
O2 Tb1 Zn1 O6 -22.9(3) . . . . ?
O8 Tb1 Zn1 O6 96.5(3) . . . . ?
O5 Tb1 Zn1 N3 -91.1(3) . . . . ?
O4 Tb1 Zn1 N3 -129.9(3) . . . . ?
O6 Tb1 Zn1 N3 72.1(3) . . . . ?
O1 Tb1 Zn1 N3 -18.3(3) . . . . ?
O7 Tb1 Zn1 N3 138.3(3) . . . . ?
O3 Tb1 Zn1 N3 -53.2(4) . . . . ?
O2 Tb1 Zn1 N3 49.3(3) . . . . ?
O8 Tb1 Zn1 N3 168.6(3) . . . . ?
O5 Tb1 Zn1 N1 55.5(3) . . . . ?
O4 Tb1 Zn1 N1 16.7(3) . . . . ?
O6 Tb1 Zn1 N1 -141.2(3) . . . . ?
O1 Tb1 Zn1 N1 128.3(3) . . . . ?
O7 Tb1 Zn1 N1 -75.0(3) . . . . ?
O3 Tb1 Zn1 N1 93.4(4) . . . . ?
O2 Tb1 Zn1 N1 -164.1(3) . . . . ?
O8 Tb1 Zn1 N1 -44.7(3) . . . . ?
O4 Tb1 Zn1 O5 -38.8(3) . . . . ?
O6 Tb1 Zn1 O5 163.2(3) . . . . ?
O1 Tb1 Zn1 O5 72.8(3) . . . . ?
O7 Tb1 Zn1 O5 -130.6(3) . . . . ?
O3 Tb1 Zn1 O5 37.9(4) . . . . ?
O2 Tb1 Zn1 O5 140.4(3) . . . . ?
O8 Tb1 Zn1 O5 -100.3(3) . . . . ?
O5 Tb1 Zn1 O9 151.1(3) . . . . ?
O4 Tb1 Zn1 O9 112.3(2) . . . . ?
O6 Tb1 Zn1 O9 -45.7(3) . . . . ?
O1 Tb1 Zn1 O9 -136.1(3) . . . . ?
O7 Tb1 Zn1 O9 20.5(3) . . . . ?
O3 Tb1 Zn1 O9 -171.0(4) . . . . ?
O2 Tb1 Zn1 O9 -68.5(3) . . . . ?
O8 Tb1 Zn1 O9 50.8(2) . . . . ?
O5 Tb1 O1 C11 151.3(9) . . . . ?
O4 Tb1 O1 C11 -142.0(8) . . . . ?
O6 Tb1 O1 C11 79.1(9) . . . . ?
O7 Tb1 O1 C11 -34.8(10) . . . . ?
O3 Tb1 O1 C11 -79.3(9) . . . . ?
O2 Tb1 O1 C11 -0.5(9) . . . . ?
O8 Tb1 O1 C11 126.1(8) . . . . ?
Zn1 Tb1 O1 C11 114.5(9) . . . . ?
O5 Tb1 O2 C26 -41.5(10) . . . . ?
O4 Tb1 O2 C26 103.5(10) . . . . ?
O6 Tb1 O2 C26 -88.4(9) . . . . ?
O1 Tb1 O2 C26 -0.3(9) . . . . ?
O7 Tb1 O2 C26 158.8(10) . . . . ?
O3 Tb1 O2 C26 80.5(10) . . . . ?
O8 Tb1 O2 C26 -148.1(9) . . . . ?
Zn1 Tb1 O2 C26 -75.2(10) . . . . ?
O5 Tb1 O3 C19 -81.2(10) . . . . ?
O4 Tb1 O3 C19 -23.1(10) . . . . ?
O6 Tb1 O3 C19 166.3(8) . . . . ?
O1 Tb1 O3 C19 -142.8(10) . . . . ?
O7 Tb1 O3 C19 63.5(10) . . . . ?
O2 Tb1 O3 C19 142.8(10) . . . . ?
O8 Tb1 O3 C19 18.8(11) . . . . ?
Zn1 Tb1 O3 C19 -107.2(10) . . . . ?
O5 Tb1 O4 C10 153.7(8) . . . . ?
O6 Tb1 O4 C10 -165.0(7) . . . . ?
O1 Tb1 O4 C10 87.9(8) . . . . ?
O7 Tb1 O4 C10 -55.9(8) . . . . ?
O3 Tb1 O4 C10 21.5(8) . . . . ?
O2 Tb1 O4 C10 -2.1(10) . . . . ?
O8 Tb1 O4 C10 -127.1(8) . . . . ?
Zn1 Tb1 O4 C10 176.6(7) . . . . ?
O6 Zn1 O5 C14 -175.1(6) . . . . ?
N3 Zn1 O5 C14 -83.9(6) . . . . ?
N1 Zn1 O5 C14 40.8(6) . . . . ?
O9 Zn1 O5 C14 100.4(8) . . . . ?
Tb1 Zn1 O5 C14 173.4(7) . . . . ?
O6 Zn1 O5 Tb1 11.5(2) . . . . ?
N3 Zn1 O5 Tb1 102.8(3) . . . . ?
N1 Zn1 O5 Tb1 -132.6(3) . . . . ?
O9 Zn1 O5 Tb1 -72.9(6) . . . . ?
O4 Tb1 O5 C14 -30.2(8) . . . . ?
O6 Tb1 O5 C14 178.4(8) . . . . ?
O1 Tb1 O5 C14 88.8(8) . . . . ?
O7 Tb1 O5 C14 -85.0(8) . . . . ?
O3 Tb1 O5 C14 25.8(9) . . . . ?
O2 Tb1 O5 C14 129.3(8) . . . . ?
O8 Tb1 O5 C14 -105.1(8) . . . . ?
Zn1 Tb1 O5 C14 -171.5(9) . . . . ?
O4 Tb1 O5 Zn1 141.3(3) . . . . ?
O6 Tb1 O5 Zn1 -10.12(19) . . . . ?
O1 Tb1 O5 Zn1 -99.7(3) . . . . ?
O7 Tb1 O5 Zn1 86.5(4) . . . . ?
O3 Tb1 O5 Zn1 -162.7(2) . . . . ?
O2 Tb1 O5 Zn1 -59.2(4) . . . . ?
O8 Tb1 O5 Zn1 66.4(2) . . . . ?
N3 Zn1 O6 C6 41.6(6) . . . . ?
N1 Zn1 O6 C6 -131.5(6) . . . . ?
O5 Zn1 O6 C6 146.1(6) . . . . ?
O9 Zn1 O6 C6 -58.2(6) . . . . ?
Tb1 Zn1 O6 C6 157.6(6) . . . . ?
N3 Zn1 O6 Tb1 -115.9(3) . . . . ?
N1 Zn1 O6 Tb1 70.9(5) . . . . ?
O5 Zn1 O6 Tb1 -11.5(2) . . . . ?
O9 Zn1 O6 Tb1 144.3(2) . . . . ?
O5 Tb1 O6 C6 -141.2(8) . . . . ?
O4 Tb1 O6 C6 176.3(7) . . . . ?
O1 Tb1 O6 C6 -66.1(7) . . . . ?
O7 Tb1 O6 C6 77.7(7) . . . . ?
O3 Tb1 O6 C6 -16.7(10) . . . . ?
O2 Tb1 O6 C6 6.6(7) . . . . ?
O8 Tb1 O6 C6 138.6(8) . . . . ?
Zn1 Tb1 O6 C6 -151.7(8) . . . . ?
O5 Tb1 O6 Zn1 10.6(2) . . . . ?
O4 Tb1 O6 Zn1 -31.9(4) . . . . ?
O1 Tb1 O6 Zn1 85.7(2) . . . . ?
O7 Tb1 O6 Zn1 -130.5(2) . . . . ?
O3 Tb1 O6 Zn1 135.0(4) . . . . ?
O2 Tb1 O6 Zn1 158.3(2) . . . . ?
O8 Tb1 O6 Zn1 -69.6(2) . . . . ?
O5 Tb1 O7 C8 11.7(10) . . . . ?
O4 Tb1 O7 C8 -41.5(8) . . . . ?
O6 Tb1 O7 C8 95.4(8) . . . . ?
O1 Tb1 O7 C8 -158.5(7) . . . . ?
O3 Tb1 O7 C8 -113.7(8) . . . . ?
O2 Tb1 O7 C8 168.0(9) . . . . ?
O8 Tb1 O7 C8 32.5(8) . . . . ?
Zn1 Tb1 O7 C8 61.5(9) . . . . ?
O5 Tb1 O8 C5 132.6(7) . . . . ?
O4 Tb1 O8 C5 53.3(7) . . . . ?
O6 Tb1 O8 C5 -152.8(7) . . . . ?
O1 Tb1 O8 C5 157.6(7) . . . . ?
O7 Tb1 O8 C5 -34.7(7) . . . . ?
O3 Tb1 O8 C5 11.8(8) . . . . ?
O2 Tb1 O8 C5 -90.6(7) . . . . ?
Zn1 Tb1 O8 C5 170.4(7) . . . . ?
O6 Zn1 N1 C13 -106.2(8) . . . . ?
N3 Zn1 N1 C13 82.1(8) . . . . ?
O5 Zn1 N1 C13 -24.7(7) . . . . ?
O9 Zn1 N1 C13 176.5(8) . . . . ?
Tb1 Zn1 N1 C13 -59.3(8) . . . . ?
O6 Zn1 N1 C17 75.6(8) . . . . ?
N3 Zn1 N1 C17 -96.1(7) . . . . ?
O5 Zn1 N1 C17 157.1(6) . . . . ?
O9 Zn1 N1 C17 -1.7(6) . . . . ?
Tb1 Zn1 N1 C17 122.5(6) . . . . ?
O6 Zn1 O9 C16 -33.4(6) . . . . ?
N3 Zn1 O9 C16 -125.9(6) . . . . ?
N1 Zn1 O9 C16 111.3(6) . . . . ?
O5 Zn1 O9 C16 49.9(9) . . . . ?
Tb1 Zn1 O9 C16 -3.8(7) . . . . ?
O6 Zn1 O9 C18 -168.9(6) . . . . ?
N3 Zn1 O9 C18 98.6(6) . . . . ?
N1 Zn1 O9 C18 -24.2(6) . . . . ?
O5 Zn1 O9 C18 -85.6(8) . . . . ?
Tb1 Zn1 O9 C18 -139.3(5) . . . . ?
O6 Zn1 N3 C12 -24.5(7) . . . . ?
N1 Zn1 N3 C12 150.6(7) . . . . ?
O5 Zn1 N3 C12 -110.9(7) . . . . ?
O9 Zn1 N3 C12 67.3(7) . . . . ?
Tb1 Zn1 N3 C12 -65.6(7) . . . . ?
O6 Zn1 N3 C24 158.0(7) . . . . ?
N1 Zn1 N3 C24 -26.9(8) . . . . ?
O5 Zn1 N3 C24 71.5(7) . . . . ?
O9 Zn1 N3 C24 -110.3(7) . . . . ?
Tb1 Zn1 N3 C24 116.8(7) . . . . ?
Tb1 O8 C5 C23 27.0(13) . . . . ?
Tb1 O8 C5 C21 -154.7(10) . . . . ?
Zn1 O6 C6 C9 -36.1(10) . . . . ?
Tb1 O6 C6 C9 112.0(9) . . . . ?
Zn1 O6 C6 C15 147.3(8) . . . . ?
Tb1 O6 C6 C15 -64.6(11) . . . . ?
Tb1 O7 C8 C23 -21.2(15) . . . . ?
Tb1 O7 C8 C3 160.1(7) . . . . ?
F6 C3 C8 O7 -57.8(13) . . . . ?
F5 C3 C8 O7 178.4(10) . . . . ?
F4 C3 C8 O7 58.7(14) . . . . ?
F6 C3 C8 C23 123.3(11) . . . . ?
F5 C3 C8 C23 -0.5(16) . . . . ?
F4 C3 C8 C23 -120.1(11) . . . . ?
O6 C6 C9 C28 -178.1(9) . . . . ?
C15 C6 C9 C28 -1.5(14) . . . . ?
O6 C6 C9 C12 1.2(14) . . . . ?
C15 C6 C9 C12 177.8(9) . . . . ?
Tb1 O4 C10 C27 -14.4(14) . . . . ?
Tb1 O4 C10 C30 166.6(6) . . . . ?
Tb1 O1 C11 C1 0.9(17) . . . . ?
Tb1 O1 C11 C25 -173.4(8) . . . . ?
C26 C1 C11 O1 0(2) . . . . ?
C26 C1 C11 C25 173.8(12) . . . . ?
C24 N3 C12 C9 177.5(8) . . . . ?
Zn1 N3 C12 C9 -0.2(13) . . . . ?
C6 C9 C12 N3 19.5(15) . . . . ?
C28 C9 C12 N3 -161.2(9) . . . . ?
C17 N1 C13 C7 -177.7(9) . . . . ?
Zn1 N1 C13 C7 4.2(13) . . . . ?
C33 C7 C13 N1 -162.9(10) . . . . ?
C14 C7 C13 N1 13.9(15) . . . . ?
Zn1 O5 C14 C31 145.6(7) . . . . ?
Tb1 O5 C14 C31 -44.3(12) . . . . ?
Zn1 O5 C14 C7 -36.2(10) . . . . ?
Tb1 O5 C14 C7 133.9(7) . . . . ?
C33 C7 C14 O5 -179.0(8) . . . . ?
C13 C7 C14 O5 4.2(13) . . . . ?
C33 C7 C14 C31 -0.8(13) . . . . ?
C13 C7 C14 C31 -177.6(9) . . . . ?
O6 C6 C15 C32 -179.9(10) . . . . ?
C9 C6 C15 C32 3.4(17) . . . . ?
C18 O9 C16 C20 -92.1(9) . . . . ?
Zn1 O9 C16 C20 137.1(6) . . . . ?
C13 N1 C17 C18 -151.5(9) . . . . ?
Zn1 N1 C17 C18 26.7(10) . . . . ?
C16 O9 C18 C17 -94.2(9) . . . . ?
Zn1 O9 C18 C17 45.2(8) . . . . ?
N1 C17 C18 O9 -49.4(10) . . . . ?
Tb1 O3 C19 C27 18.4(18) . . . . ?
Tb1 O3 C19 C36 -154.8(16) . . . . ?
C22 O10 C20 C16 174.5(8) . . . . ?
O9 C16 C20 O10 70.5(10) . . . . ?
O8 C5 C21 F7 -64(2) . . . . ?
C23 C5 C21 F7 114.1(17) . . . . ?
O8 C5 C21 F9 164.2(14) . . . . ?
C23 C5 C21 F9 -17(2) . . . . ?
O8 C5 C21 F8 40(2) . . . . ?
C23 C5 C21 F8 -141.2(14) . . . . ?
C20 O10 C22 C24 -175.4(8) . . . 3_676 ?
O7 C8 C23 C5 -8.5(15) . . . . ?
C3 C8 C23 C5 170.2(9) . . . . ?
O8 C5 C23 C8 4.3(15) . . . . ?
C21 C5 C23 C8 -174.0(11) . . . . ?
C12 N3 C24 C22 -112.0(10) . . . 3_676 ?
Zn1 N3 C24 C22 65.6(10) . . . 3_676 ?
O1 C11 C25 F3 49.9(19) . . . . ?
C1 C11 C25 F3 -125.0(16) . . . . ?
O1 C11 C25 F2 -170.0(14) . . . . ?
C1 C11 C25 F2 15(2) . . . . ?
O1 C11 C25 F1 -54.3(14) . . . . ?
C1 C11 C25 F1 130.8(12) . . . . ?
Tb1 O2 C26 C1 1(2) . . . . ?
Tb1 O2 C26 C35 -171.1(10) . . . . ?
C11 C1 C26 O2 -1(2) . . . . ?
C11 C1 C26 C35 171.3(13) . . . . ?
O4 C10 C27 C19 -4.7(16) . . . . ?
C30 C10 C27 C19 174.3(9) . . . . ?
O3 C19 C27 C10 2.3(18) . . . . ?
C36 C19 C27 C10 175.7(16) . . . . ?
C6 C9 C28 C29 0.0(16) . . . . ?
C12 C9 C28 C29 -179.3(11) . . . . ?
C9 C28 C29 C32 0(2) . . . . ?
O4 C10 C30 F11 68.7(13) . . . . ?
C27 C10 C30 F11 -110.5(12) . . . . ?
O4 C10 C30 F10 -50.1(13) . . . . ?
C27 C10 C30 F10 130.7(11) . . . . ?
O4 C10 C30 F12 -169.3(10) . . . . ?
C27 C10 C30 F12 11.6(15) . . . . ?
O5 C14 C31 C2 -178.8(10) . . . . ?
C7 C14 C31 C2 2.9(16) . . . . ?
C34 C2 C31 C14 -3(2) . . . . ?
C28 C29 C32 C15 2(2) . . . . ?
C6 C15 C32 C29 -4(2) . . . . ?
C14 C7 C33 C34 -1.1(17) . . . . ?
C13 C7 C33 C34 175.9(11) . . . . ?
C7 C33 C34 C2 1(2) . . . . ?
C31 C2 C34 C33 1(2) . . . . ?
O3 C19 C36 F16 29(4) . . . . ?
C27 C19 C36 F16 -145(3) . . . . ?
O3 C19 C36 F14 -179(3) . . . . ?
C27 C19 C36 F14 7(4) . . . . ?
O3 C19 C36 F15 -71(3) . . . . ?
C27 C19 C36 F15 115(2) . . . . ?
F14 C36 F15 F16 -123(3) . . . . ?
C19 C36 F15 F16 115.2(17) . . . . ?
F14 C36 F16 F15 104(3) . . . . ?
C19 C36 F16 F15 -105(3) . . . . ?
O2 C26 C35 F18 97(3) . . . . ?
C1 C26 C35 F18 -76(3) . . . . ?
O2 C26 C35 F17 -44.7(18) . . . . ?
C1 C26 C35 F17 142.1(13) . . . . ?
O2 C26 C35 F13 -135.2(13) . . . . ?
C1 C26 C35 F13 51.6(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.348
_refine_diff_density_min         -1.511
_refine_diff_density_rms         0.120
####################################################################### 
# 
# 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_s
_database_code_depnum_ccdc_archive 'CCDC 1433397'
_audit_update_record             
;
2015-10-27 deposited with the CCDC.
2015-12-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H50 Dy2 F36 N4 O20 Zn2'
_chemical_formula_weight         2406.88

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'
F F 0.0171 0.0103 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.043(2)
_cell_length_b                   21.089(4)
_cell_length_c                   19.045(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.57(2)
_cell_angle_gamma                90.00
_cell_volume                     4399(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5498
_cell_measurement_theta_min      2.8919
_cell_measurement_theta_max      29.1786

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.42
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2348
_exptl_absorpt_coefficient_mu    2.361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.80409
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17508
_diffrn_reflns_av_R_equivalents  0.0267
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.01
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7742
_reflns_number_gt                5597
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0876P)²+3.1578P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7742
_refine_ls_number_parameters     613
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0540
_refine_ls_wR_factor_ref         0.1573
_refine_ls_wR_factor_gt          0.1428
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.002

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.26064(3) 0.947611(15) 0.758843(19) 0.04804(15) Uani 1 1 d . . .
Zn1 Zn 0.44916(8) 0.95289(4) 0.67203(5) 0.0531(2) Uani 1 1 d . . .
F1 F -0.1035(7) 0.8475(6) 0.7559(5) 0.202(5) Uani 1 1 d D . .
F2 F -0.1527(5) 0.7850(3) 0.6644(5) 0.136(3) Uani 1 1 d . . .
F3 F -0.1879(5) 0.8782(3) 0.6406(5) 0.145(3) Uani 1 1 d . . .
F4 F 0.4245(8) 0.7506(3) 0.9266(6) 0.185(4) Uani 1 1 d . . .
F5 F 0.2556(10) 0.7256(3) 0.9222(6) 0.184(4) Uani 1 1 d . . .
F6 F 0.2845(9) 0.7255(3) 0.8251(4) 0.157(3) Uani 1 1 d . . .
F7 F 0.1664(13) 0.9717(8) 0.9974(9) 0.251(6) Uani 1 1 d DU . .
F8 F 0.0415(16) 0.9848(8) 0.9154(9) 0.341(11) Uani 1 1 d D . .
F9 F 0.0750(14) 0.9030(5) 0.9824(8) 0.270(7) Uani 1 1 d D . .
F10 F 0.5331(9) 1.0957(6) 0.9582(5) 0.200(5) Uani 1 1 d . . .
F11 F 0.5666(7) 1.1201(5) 0.8666(6) 0.185(4) Uani 1 1 d . . .
F12 F 0.4695(8) 1.1812(4) 0.9036(6) 0.206(5) Uani 1 1 d . . .
F13 F 0.1824(8) 0.7043(3) 0.6287(6) 0.181(4) Uani 1 1 d D . .
F14 F 0.3386(10) 0.7526(4) 0.6559(9) 0.225(6) Uani 1 1 d D . .
F15 F 0.2173(16) 0.7690(5) 0.5582(6) 0.239(7) Uani 1 1 d D . .
F16 F -0.0337(9) 1.1247(4) 0.6631(9) 0.282(9) Uani 1 1 d . . .
F17 F 0.0160(13) 1.1517(8) 0.7678(9) 0.243(5) Uani 1 1 d DU . .
O1 O 0.2905(4) 0.9913(2) 0.6558(3) 0.0528(11) Uani 1 1 d . . .
O2 O 0.4576(4) 0.9252(2) 0.7752(3) 0.0533(11) Uani 1 1 d . . .
O3 O 0.2402(4) 0.8624(2) 0.6677(3) 0.0581(12) Uani 1 1 d . . .
O4 O 0.0607(5) 0.9070(2) 0.7089(3) 0.0682(14) Uani 1 1 d . . .
O5 O 0.3060(5) 0.8531(2) 0.8269(3) 0.0604(13) Uani 1 1 d . . .
O6 O 0.2044(6) 0.9560(3) 0.8636(4) 0.0774(17) Uani 1 1 d . . .
O7 O 0.3815(5) 1.0310(3) 0.8313(3) 0.0702(14) Uani 1 1 d . . .
O8 O 0.1355(5) 1.0397(2) 0.7314(3) 0.0647(13) Uani 1 1 d . . .
N1 N 0.4677(6) 0.9620(3) 0.3087(4) 0.0591(15) Uani 1 1 d . . .
N2 N 0.5315(5) 0.8715(3) 0.6647(4) 0.0581(15) Uani 1 1 d . . .
O10 O 0.3921(5) 0.9457(2) 0.5440(3) 0.0612(13) Uani 1 1 d . . .
C1 C 0.2049(8) 0.8525(4) 0.9089(4) 0.071(2) Uani 1 1 d . . .
H1 H 0.1789 0.8272 0.9391 0.085 Uiso 1 1 calc R . .
C2 C 0.7590(10) 0.8357(6) 0.9369(7) 0.114(4) Uani 1 1 d . . .
H2 H 0.8271 0.8156 0.9737 0.136 Uiso 1 1 calc R . .
C3 C 0.5900(8) 0.9058(4) 0.9050(5) 0.079(2) Uani 1 1 d . . .
H3 H 0.5432 0.9326 0.9206 0.095 Uiso 1 1 calc R . .
C4 C 0.2220(12) 0.7577(5) 0.6234(7) 0.108(4) Uani 1 1 d D . .
C5 C 0.6917(11) 0.8775(6) 0.9595(6) 0.108(3) Uani 1 1 d . . .
H5 H 0.7153 0.8863 1.0116 0.130 Uiso 1 1 calc R . .
C6 C 0.2616(9) 1.1219(4) 0.8047(7) 0.097(3) Uani 1 1 d . . .
H6 H 0.2627 1.1649 0.8160 0.116 Uiso 1 1 calc R . .
C7 C 0.1760(11) 1.1578(5) 0.5310(6) 0.109(4) Uani 1 1 d . . .
H7 H 0.1495 1.1950 0.5027 0.131 Uiso 1 1 calc R . .
C8 C 0.4830(12) 1.1228(6) 0.8901(7) 0.108(4) Uani 1 1 d . . .
C9 C 0.0937(10) 1.1110(5) 0.5280(7) 0.107(4) Uani 1 1 d . . .
H9 H 0.0109 1.1168 0.4974 0.128 Uiso 1 1 calc R . .
O9 O 0.2978(5) 0.9547(3) 0.3758(3) 0.0697(15) Uani 1 1 d . . .
C11 C 0.2573(7) 1.0452(3) 0.6156(4) 0.0559(18) Uani 1 1 d . . .
C12 C 0.3423(7) 1.0924(3) 0.6198(4) 0.0583(18) Uani 1 1 d . . .
C13 C 0.1783(7) 0.8129(3) 0.6557(4) 0.0550(17) Uani 1 1 d . . .
C14 C 0.6249(7) 0.8534(4) 0.8030(5) 0.063(2) Uani 1 1 d . . .
C15 C 0.1332(7) 1.0564(4) 0.5695(5) 0.073(2) Uani 1 1 d . . .
H15 H 0.0762 1.0258 0.5672 0.088 Uiso 1 1 calc R . .
C16 C 0.5988(7) 0.8395(4) 0.7240(5) 0.0608(19) Uani 1 1 d . . .
H16 H 0.6349 0.8032 0.7150 0.073 Uiso 1 1 calc R . .
C17 C 0.0215(6) 0.8518(3) 0.6896(5) 0.0591(19) Uani 1 1 d . . .
C18 C 0.3328(8) 0.9558(4) 0.2641(4) 0.074(2) Uani 1 1 d . . .
H18A H 0.3087 0.9756 0.2139 0.089 Uiso 1 1 calc R . .
H18B H 0.3109 0.9113 0.2561 0.089 Uiso 1 1 calc R . .
C19 C 0.4853(7) 0.9067(4) 0.5360(5) 0.072(2) Uani 1 1 d . . .
H19A H 0.5593 0.9314 0.5493 0.087 Uiso 1 1 calc R . .
H19B H 0.4577 0.8930 0.4828 0.087 Uiso 1 1 calc R . .
C20 C 0.5555(7) 0.8951(4) 0.8259(4) 0.0576(18) Uani 1 1 d . . .
C21 C 0.2346(7) 0.9760(4) 0.4201(5) 0.069(2) Uani 1 1 d . . .
H21A H 0.1471 0.9740 0.3892 0.083 Uiso 1 1 calc R . .
H21B H 0.2563 1.0196 0.4359 0.083 Uiso 1 1 calc R . .
C22 C 0.2690(7) 0.9338(4) 0.4910(5) 0.0598(19) Uani 1 1 d . . .
H22A H 0.2148 0.9423 0.5159 0.072 Uiso 1 1 calc R . .
H22B H 0.2600 0.8896 0.4755 0.072 Uiso 1 1 calc R . .
C23 C -0.1041(9) 0.8406(4) 0.6915(7) 0.095(3) Uani 1 1 d D . .
C24 C 0.3663(9) 1.0887(5) 0.8387(5) 0.078(3) Uani 1 1 d . . .
C25 C 0.2668(7) 0.9864(4) 0.3058(4) 0.073(2) Uani 1 1 d . . .
H25A H 0.2897 1.0307 0.3151 0.087 Uiso 1 1 calc R . .
H25B H 0.1794 0.9840 0.2750 0.087 Uiso 1 1 calc R . .
C26 C 0.5115(7) 0.8502(4) 0.5876(5) 0.070(2) Uani 1 1 d . . .
H26A H 0.4433 0.8209 0.5681 0.084 Uiso 1 1 calc R . .
H26B H 0.5836 0.8284 0.5893 0.084 Uiso 1 1 calc R . .
C27 C 0.1778(8) 0.9159(4) 0.9017(5) 0.072(2) Uani 1 1 d . . .
C28 C 0.4716(8) 1.0883(4) 0.6642(5) 0.068(2) Uani 1 1 d . . .
H28 H 0.5153 1.1261 0.6742 0.081 Uiso 1 1 calc R . .
C29 C 0.2701(6) 0.8258(4) 0.8718(4) 0.0565(18) Uani 1 1 d . . .
C30 C 0.0726(6) 0.8038(3) 0.6668(4) 0.0596(19) Uani 1 1 d . . .
H30 H 0.0364 0.7639 0.6584 0.072 Uiso 1 1 calc R . .
C31 C 0.7252(9) 0.8243(5) 0.8608(6) 0.096(3) Uani 1 1 d . . .
H31 H 0.7709 0.7958 0.8464 0.115 Uiso 1 1 calc R . .
C32 C 0.3074(10) 0.7566(4) 0.8860(5) 0.081(3) Uani 1 1 d . . .
C33 C 0.2979(10) 1.1481(4) 0.5768(5) 0.087(3) Uani 1 1 d . . .
H33 H 0.3532 1.1797 0.5793 0.104 Uiso 1 1 calc R . .
C34 C 0.1533(8) 1.0955(4) 0.7542(6) 0.080(2) Uani 1 1 d . . .
F18 F 0.0652(10) 1.1952(4) 0.7057(8) 0.264(8) Uani 1 1 d . . .
C36B C -0.054(5) 1.105(3) 0.753(3) 0.243(5) Uani 0.50 1 d PU . .
C37 C 0.087(2) 0.9386(6) 0.9399(9) 0.171(9) Uani 1 1 d D . .
C36A C 0.045(6) 1.136(3) 0.715(3) 0.243(5) Uani 0.50 1 d PDU . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O2 2.309(5) . ?
Dy1 O5 2.316(5) . ?
Dy1 O1 2.328(4) . ?
Dy1 O7 2.333(5) . ?
Dy1 O4 2.352(5) . ?
Dy1 O6 2.364(5) . ?
Dy1 O8 2.378(5) . ?
Dy1 O3 2.440(5) . ?
Dy1 Zn1 3.3199(11) . ?
Zn1 O1 1.978(5) . ?
Zn1 O2 2.012(5) . ?
Zn1 N1 2.014(6) 3_676 ?
Zn1 N2 2.016(6) . ?
Zn1 O10 2.247(5) . ?
F1 C23 1.232(11) . ?
F2 C23 1.316(11) . ?
F3 C23 1.332(11) . ?
F4 C32 1.302(12) . ?
F5 C32 1.285(10) . ?
F6 C32 1.260(10) . ?
F7 C37 1.314(15) . ?
F7 F8 1.68(2) . ?
F7 F9 1.770(18) . ?
F8 C37 1.123(13) . ?
F9 C37 1.157(12) . ?
F10 C8 1.312(15) . ?
F11 C8 1.262(12) . ?
F12 C8 1.282(14) . ?
F13 C4 1.243(10) . ?
F14 C4 1.281(13) . ?
F15 C4 1.243(11) . ?
F16 C36A 1.07(6) . ?
F16 C36B 1.88(5) . ?
F17 C36B 1.25(5) . ?
F17 C36A 1.24(2) . ?
F17 F18 1.782(19) . ?
O1 C11 1.334(8) . ?
O2 C20 1.334(8) . ?
O3 C13 1.247(8) . ?
O4 C17 1.252(8) . ?
O5 C29 1.248(8) . ?
O6 C27 1.241(9) . ?
O7 C24 1.248(10) . ?
O8 C34 1.243(9) . ?
N1 C28 1.269(10) 3_676 ?
N1 C18 1.493(10) . ?
N1 Zn1 2.014(6) 3_676 ?
N2 C16 1.276(9) . ?
N2 C26 1.457(9) . ?
O10 C22 1.426(9) . ?
O10 C19 1.449(9) . ?
C1 C27 1.369(11) . ?
C1 C29 1.375(10) . ?
C1 H1 0.9300 . ?
C2 C31 1.355(14) . ?
C2 C5 1.381(15) . ?
C2 H2 0.9300 . ?
C3 C5 1.370(13) . ?
C3 C20 1.404(10) . ?
C3 H3 0.9300 . ?
C4 C13 1.509(12) . ?
C5 H5 0.9300 . ?
C6 C24 1.349(13) . ?
C6 C34 1.376(13) . ?
C6 H6 0.9300 . ?
C7 C33 1.376(14) . ?
C7 C9 1.381(14) . ?
C7 H7 0.9300 . ?
C8 C24 1.518(13) . ?
C9 C15 1.367(12) . ?
C9 H9 0.9300 . ?
O9 C25 1.397(9) . ?
O9 C21 1.424(9) . ?
C11 C15 1.404(11) . ?
C11 C12 1.406(10) . ?
C12 C33 1.404(11) . ?
C12 C28 1.433(11) . ?
C13 C30 1.388(9) . ?
C14 C31 1.393(12) . ?
C14 C20 1.400(10) . ?
C14 C16 1.435(11) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C30 1.347(10) . ?
C17 C23 1.548(11) . ?
C18 C25 1.484(11) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C26 1.494(11) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C21 C22 1.523(11) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C37 1.613(18) . ?
C28 N1 1.269(10) 3_676 ?
C28 H28 0.9300 . ?
C29 C32 1.517(11) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C33 H33 0.9300 . ?
C34 C36A 1.48(6) . ?
F18 C36A 1.30(6) . ?
C36B C36A 1.76(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Dy1 O5 76.01(17) . . ?
O2 Dy1 O1 71.64(16) . . ?
O5 Dy1 O1 136.87(16) . . ?
O2 Dy1 O7 73.85(18) . . ?
O5 Dy1 O7 111.9(2) . . ?
O1 Dy1 O7 85.61(18) . . ?
O2 Dy1 O4 143.28(17) . . ?
O5 Dy1 O4 82.90(18) . . ?
O1 Dy1 O4 107.12(18) . . ?
O7 Dy1 O4 142.67(18) . . ?
O2 Dy1 O6 122.7(2) . . ?
O5 Dy1 O6 71.08(18) . . ?
O1 Dy1 O6 151.69(16) . . ?
O7 Dy1 O6 76.8(2) . . ?
O4 Dy1 O6 76.3(2) . . ?
O2 Dy1 O8 135.91(17) . . ?
O5 Dy1 O8 143.70(17) . . ?
O1 Dy1 O8 78.30(17) . . ?
O7 Dy1 O8 72.4(2) . . ?
O4 Dy1 O8 76.09(17) . . ?
O6 Dy1 O8 75.34(19) . . ?
O2 Dy1 O3 74.87(16) . . ?
O5 Dy1 O3 72.22(17) . . ?
O1 Dy1 O3 72.36(15) . . ?
O7 Dy1 O3 146.09(17) . . ?
O4 Dy1 O3 70.17(16) . . ?
O6 Dy1 O3 132.53(17) . . ?
O8 Dy1 O3 125.29(18) . . ?
O2 Dy1 Zn1 36.62(11) . . ?
O5 Dy1 Zn1 104.88(12) . . ?
O1 Dy1 Zn1 35.85(11) . . ?
O7 Dy1 Zn1 83.22(13) . . ?
O4 Dy1 Zn1 127.46(14) . . ?
O6 Dy1 Zn1 155.86(17) . . ?
O8 Dy1 Zn1 111.41(13) . . ?
O3 Dy1 Zn1 63.76(10) . . ?
O1 Zn1 O2 85.72(19) . . ?
O1 Zn1 N1 92.2(2) . 3_676 ?
O2 Zn1 N1 105.2(2) . 3_676 ?
O1 Zn1 N2 144.0(2) . . ?
O2 Zn1 N2 89.6(2) . . ?
N1 Zn1 N2 123.4(3) 3_676 . ?
O1 Zn1 O10 91.03(19) . . ?
O2 Zn1 O10 155.36(19) . . ?
N1 Zn1 O10 99.3(2) 3_676 . ?
N2 Zn1 O10 78.7(2) . . ?
O1 Zn1 Dy1 43.58(13) . . ?
O2 Zn1 Dy1 43.20(13) . . ?
N1 Zn1 Dy1 109.29(18) 3_676 . ?
N2 Zn1 Dy1 117.64(17) . . ?
O10 Zn1 Dy1 125.06(14) . . ?
C37 F7 F8 41.9(8) . . ?
C37 F7 F9 40.8(7) . . ?
F8 F7 F9 74.3(11) . . ?
C37 F8 F7 51.3(10) . . ?
C37 F9 F7 47.9(10) . . ?
C36A F16 C36B 67(3) . . ?
C36B F17 C36A 90(4) . . ?
C36B F17 F18 130(3) . . ?
C36A F17 F18 47(3) . . ?
C11 O1 Zn1 118.6(4) . . ?
C11 O1 Dy1 134.9(4) . . ?
Zn1 O1 Dy1 100.57(19) . . ?
C20 O2 Zn1 121.0(4) . . ?
C20 O2 Dy1 138.2(4) . . ?
Zn1 O2 Dy1 100.2(2) . . ?
C13 O3 Dy1 128.5(4) . . ?
C17 O4 Dy1 130.8(5) . . ?
C29 O5 Dy1 135.5(5) . . ?
C27 O6 Dy1 132.6(5) . . ?
C24 O7 Dy1 135.9(6) . . ?
C34 O8 Dy1 134.1(6) . . ?
C28 N1 C18 117.7(7) 3_676 . ?
C28 N1 Zn1 120.8(6) 3_676 3_676 ?
C18 N1 Zn1 121.4(5) . 3_676 ?
C16 N2 C26 120.4(6) . . ?
C16 N2 Zn1 122.6(5) . . ?
C26 N2 Zn1 116.9(5) . . ?
C22 O10 C19 116.7(6) . . ?
C22 O10 Zn1 122.6(4) . . ?
C19 O10 Zn1 104.6(4) . . ?
C27 C1 C29 120.8(7) . . ?
C27 C1 H1 119.6 . . ?
C29 C1 H1 119.6 . . ?
C31 C2 C5 119.5(10) . . ?
C31 C2 H2 120.2 . . ?
C5 C2 H2 120.3 . . ?
C5 C3 C20 121.0(9) . . ?
C5 C3 H3 119.5 . . ?
C20 C3 H3 119.5 . . ?
F13 C4 F15 113.2(11) . . ?
F13 C4 F14 105.4(12) . . ?
F15 C4 F14 94.8(11) . . ?
F13 C4 C13 117.0(8) . . ?
F15 C4 C13 112.4(10) . . ?
F14 C4 C13 111.5(9) . . ?
C3 C5 C2 119.8(10) . . ?
C3 C5 H5 120.1 . . ?
C2 C5 H5 120.1 . . ?
C24 C6 C34 123.4(8) . . ?
C24 C6 H6 118.3 . . ?
C34 C6 H6 118.3 . . ?
C33 C7 C9 118.6(9) . . ?
C33 C7 H7 120.7 . . ?
C9 C7 H7 120.7 . . ?
F11 C8 F12 107.6(12) . . ?
F11 C8 F10 102.9(13) . . ?
F12 C8 F10 105.3(10) . . ?
F11 C8 C24 114.3(8) . . ?
F12 C8 C24 115.0(12) . . ?
F10 C8 C24 110.6(11) . . ?
C15 C9 C7 120.4(10) . . ?
C15 C9 H9 119.8 . . ?
C7 C9 H9 119.8 . . ?
C25 O9 C21 114.8(6) . . ?
O1 C11 C15 119.3(7) . . ?
O1 C11 C12 122.2(7) . . ?
C15 C11 C12 118.5(7) . . ?
C11 C12 C33 117.9(8) . . ?
C11 C12 C28 125.3(7) . . ?
C33 C12 C28 116.8(7) . . ?
O3 C13 C30 127.1(7) . . ?
O3 C13 C4 115.9(7) . . ?
C30 C13 C4 117.0(7) . . ?
C31 C14 C20 117.7(8) . . ?
C31 C14 C16 118.5(8) . . ?
C20 C14 C16 123.8(7) . . ?
C9 C15 C11 121.9(9) . . ?
C9 C15 H15 119.1 . . ?
C11 C15 H15 119.1 . . ?
N2 C16 C14 127.0(7) . . ?
N2 C16 H16 116.5 . . ?
C14 C16 H16 116.5 . . ?
O4 C17 C30 128.9(7) . . ?
O4 C17 C23 112.8(7) . . ?
C30 C17 C23 118.3(7) . . ?
C25 C18 N1 110.8(6) . . ?
C25 C18 H18A 109.5 . . ?
N1 C18 H18A 109.5 . . ?
C25 C18 H18B 109.5 . . ?
N1 C18 H18B 109.5 . . ?
H18A C18 H18B 108.1 . . ?
O10 C19 C26 110.2(6) . . ?
O10 C19 H19A 109.6 . . ?
C26 C19 H19A 109.6 . . ?
O10 C19 H19B 109.6 . . ?
C26 C19 H19B 109.6 . . ?
H19A C19 H19B 108.1 . . ?
O2 C20 C14 122.4(7) . . ?
O2 C20 C3 118.5(7) . . ?
C14 C20 C3 119.1(7) . . ?
O9 C21 C22 109.1(6) . . ?
O9 C21 H21A 109.9 . . ?
C22 C21 H21A 109.9 . . ?
O9 C21 H21B 109.9 . . ?
C22 C21 H21B 109.9 . . ?
H21A C21 H21B 108.3 . . ?
O10 C22 C21 110.2(6) . . ?
O10 C22 H22A 109.6 . . ?
C21 C22 H22A 109.6 . . ?
O10 C22 H22B 109.6 . . ?
C21 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
F1 C23 F2 108.4(10) . . ?
F1 C23 F3 110.1(10) . . ?
F2 C23 F3 99.6(9) . . ?
F1 C23 C17 113.8(9) . . ?
F2 C23 C17 114.1(8) . . ?
F3 C23 C17 110.1(8) . . ?
O7 C24 C6 127.1(8) . . ?
O7 C24 C8 113.3(10) . . ?
C6 C24 C8 119.6(9) . . ?
O9 C25 C18 108.3(7) . . ?
O9 C25 H25A 110.0 . . ?
C18 C25 H25A 110.0 . . ?
O9 C25 H25B 110.0 . . ?
C18 C25 H25B 110.0 . . ?
H25A C25 H25B 108.4 . . ?
N2 C26 C19 108.5(6) . . ?
N2 C26 H26A 110.0 . . ?
C19 C26 H26A 110.0 . . ?
N2 C26 H26B 110.0 . . ?
C19 C26 H26B 110.0 . . ?
H26A C26 H26B 108.4 . . ?
O6 C27 C1 128.0(7) . . ?
O6 C27 C37 116.7(8) . . ?
C1 C27 C37 115.0(8) . . ?
N1 C28 C12 126.2(7) 3_676 . ?
N1 C28 H28 116.9 3_676 . ?
C12 C28 H28 116.9 . . ?
O5 C29 C1 126.6(7) . . ?
O5 C29 C32 113.9(7) . . ?
C1 C29 C32 119.5(7) . . ?
C17 C30 C13 121.1(7) . . ?
C17 C30 H30 119.5 . . ?
C13 C30 H30 119.5 . . ?
C2 C31 C14 122.9(10) . . ?
C2 C31 H31 118.6 . . ?
C14 C31 H31 118.6 . . ?
F6 C32 F5 105.0(10) . . ?
F6 C32 F4 105.4(10) . . ?
F5 C32 F4 106.2(9) . . ?
F6 C32 C29 113.7(7) . . ?
F5 C32 C29 114.3(8) . . ?
F4 C32 C29 111.5(9) . . ?
C7 C33 C12 122.7(9) . . ?
C7 C33 H33 118.6 . . ?
C12 C33 H33 118.6 . . ?
O8 C34 C6 127.1(9) . . ?
O8 C34 C36A 112(3) . . ?
C6 C34 C36A 120(3) . . ?
C36A F18 F17 44.3(11) . . ?
F17 C36B C36A 45(2) . . ?
F17 C36B F16 72(3) . . ?
C36A C36B F16 34(2) . . ?
F8 C37 F9 132(2) . . ?
F8 C37 F7 86.8(15) . . ?
F9 C37 F7 91.3(14) . . ?
F8 C37 C27 112.2(11) . . ?
F9 C37 C27 115.5(13) . . ?
F7 C37 C27 98.3(17) . . ?
F16 C36A F17 112(5) . . ?
F16 C36A F18 104(5) . . ?
F17 C36A F18 89(4) . . ?
F16 C36A C34 127(5) . . ?
F17 C36A C34 103(4) . . ?
F18 C36A C34 116(5) . . ?
F16 C36A C36B 79(4) . . ?
F17 C36A C36B 45(2) . . ?
F18 C36A C36B 127(3) . . ?
C34 C36A C36B 100(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 Dy1 Zn1 O1 -163.8(3) . . . . ?
O5 Dy1 Zn1 O1 157.1(2) . . . . ?
O7 Dy1 Zn1 O1 -91.9(2) . . . . ?
O4 Dy1 Zn1 O1 64.7(3) . . . . ?
O6 Dy1 Zn1 O1 -126.0(4) . . . . ?
O8 Dy1 Zn1 O1 -23.9(2) . . . . ?
O3 Dy1 Zn1 O1 96.0(2) . . . . ?
O5 Dy1 Zn1 O2 -39.0(2) . . . . ?
O1 Dy1 Zn1 O2 163.8(3) . . . . ?
O7 Dy1 Zn1 O2 72.0(3) . . . . ?
O4 Dy1 Zn1 O2 -131.5(3) . . . . ?
O6 Dy1 Zn1 O2 37.9(4) . . . . ?
O8 Dy1 Zn1 O2 140.0(2) . . . . ?
O3 Dy1 Zn1 O2 -100.1(2) . . . . ?
O2 Dy1 Zn1 N1 -91.9(3) . . . 3_676 ?
O5 Dy1 Zn1 N1 -130.9(2) . . . 3_676 ?
O1 Dy1 Zn1 N1 72.0(3) . . . 3_676 ?
O7 Dy1 Zn1 N1 -19.9(3) . . . 3_676 ?
O4 Dy1 Zn1 N1 136.7(3) . . . 3_676 ?
O6 Dy1 Zn1 N1 -54.0(4) . . . 3_676 ?
O8 Dy1 Zn1 N1 48.1(2) . . . 3_676 ?
O3 Dy1 Zn1 N1 168.0(2) . . . 3_676 ?
O2 Dy1 Zn1 N2 55.4(3) . . . . ?
O5 Dy1 Zn1 N2 16.4(2) . . . . ?
O1 Dy1 Zn1 N2 -140.8(3) . . . . ?
O7 Dy1 Zn1 N2 127.3(3) . . . . ?
O4 Dy1 Zn1 N2 -76.1(3) . . . . ?
O6 Dy1 Zn1 N2 93.2(4) . . . . ?
O8 Dy1 Zn1 N2 -164.6(2) . . . . ?
O3 Dy1 Zn1 N2 -44.7(2) . . . . ?
O2 Dy1 Zn1 O10 151.0(3) . . . . ?
O5 Dy1 Zn1 O10 112.0(2) . . . . ?
O1 Dy1 Zn1 O10 -45.1(2) . . . . ?
O7 Dy1 Zn1 O10 -137.0(2) . . . . ?
O4 Dy1 Zn1 O10 19.6(2) . . . . ?
O6 Dy1 Zn1 O10 -171.1(4) . . . . ?
O8 Dy1 Zn1 O10 -69.0(2) . . . . ?
O3 Dy1 Zn1 O10 50.9(2) . . . . ?
F9 F7 F8 C37 -30.3(12) . . . . ?
F8 F7 F9 C37 31.0(13) . . . . ?
O2 Zn1 O1 C11 145.8(5) . . . . ?
N1 Zn1 O1 C11 40.7(5) 3_676 . . . ?
N2 Zn1 O1 C11 -130.7(5) . . . . ?
O10 Zn1 O1 C11 -58.6(5) . . . . ?
Dy1 Zn1 O1 C11 156.8(6) . . . . ?
O2 Zn1 O1 Dy1 -11.01(19) . . . . ?
N1 Zn1 O1 Dy1 -116.1(2) 3_676 . . . ?
N2 Zn1 O1 Dy1 72.4(4) . . . . ?
O10 Zn1 O1 Dy1 144.53(19) . . . . ?
O2 Dy1 O1 C11 -140.7(7) . . . . ?
O5 Dy1 O1 C11 175.9(6) . . . . ?
O7 Dy1 O1 C11 -66.3(6) . . . . ?
O4 Dy1 O1 C11 77.9(6) . . . . ?
O6 Dy1 O1 C11 -15.0(8) . . . . ?
O8 Dy1 O1 C11 6.6(6) . . . . ?
O3 Dy1 O1 C11 139.8(7) . . . . ?
Zn1 Dy1 O1 C11 -150.8(7) . . . . ?
O2 Dy1 O1 Zn1 10.07(17) . . . . ?
O5 Dy1 O1 Zn1 -33.3(3) . . . . ?
O7 Dy1 O1 Zn1 84.5(2) . . . . ?
O4 Dy1 O1 Zn1 -131.33(19) . . . . ?
O6 Dy1 O1 Zn1 135.7(4) . . . . ?
O8 Dy1 O1 Zn1 157.4(2) . . . . ?
O3 Dy1 O1 Zn1 -69.39(19) . . . . ?
O1 Zn1 O2 C20 -176.6(5) . . . . ?
N1 Zn1 O2 C20 -85.5(5) 3_676 . . . ?
N2 Zn1 O2 C20 39.2(5) . . . . ?
O10 Zn1 O2 C20 100.3(6) . . . . ?
Dy1 Zn1 O2 C20 172.4(6) . . . . ?
O1 Zn1 O2 Dy1 11.09(19) . . . . ?
N1 Zn1 O2 Dy1 102.2(2) 3_676 . . . ?
N2 Zn1 O2 Dy1 -133.2(2) . . . . ?
O10 Zn1 O2 Dy1 -72.0(5) . . . . ?
O5 Dy1 O2 C20 -29.0(7) . . . . ?
O1 Dy1 O2 C20 180.0(7) . . . . ?
O7 Dy1 O2 C20 89.3(7) . . . . ?
O4 Dy1 O2 C20 -85.8(7) . . . . ?
O6 Dy1 O2 C20 27.2(7) . . . . ?
O8 Dy1 O2 C20 130.5(7) . . . . ?
O3 Dy1 O2 C20 -104.0(7) . . . . ?
Zn1 Dy1 O2 C20 -170.2(8) . . . . ?
O5 Dy1 O2 Zn1 141.2(2) . . . . ?
O1 Dy1 O2 Zn1 -9.89(17) . . . . ?
O7 Dy1 O2 Zn1 -100.6(2) . . . . ?
O4 Dy1 O2 Zn1 84.3(3) . . . . ?
O6 Dy1 O2 Zn1 -162.65(18) . . . . ?
O8 Dy1 O2 Zn1 -59.4(3) . . . . ?
O3 Dy1 O2 Zn1 66.16(19) . . . . ?
O2 Dy1 O3 C13 133.2(6) . . . . ?
O5 Dy1 O3 C13 53.4(6) . . . . ?
O1 Dy1 O3 C13 -151.6(6) . . . . ?
O7 Dy1 O3 C13 156.5(6) . . . . ?
O4 Dy1 O3 C13 -35.3(6) . . . . ?
O6 Dy1 O3 C13 12.5(7) . . . . ?
O8 Dy1 O3 C13 -90.7(6) . . . . ?
Zn1 Dy1 O3 C13 170.7(6) . . . . ?
O2 Dy1 O4 C17 15.8(8) . . . . ?
O5 Dy1 O4 C17 -39.1(7) . . . . ?
O1 Dy1 O4 C17 97.9(7) . . . . ?
O7 Dy1 O4 C17 -156.4(6) . . . . ?
O6 Dy1 O4 C17 -111.3(7) . . . . ?
O8 Dy1 O4 C17 170.7(7) . . . . ?
O3 Dy1 O4 C17 34.5(7) . . . . ?
Zn1 Dy1 O4 C17 64.2(7) . . . . ?
O2 Dy1 O5 C29 154.5(7) . . . . ?
O1 Dy1 O5 C29 -163.4(6) . . . . ?
O7 Dy1 O5 C29 88.6(7) . . . . ?
O4 Dy1 O5 C29 -55.8(7) . . . . ?
O6 Dy1 O5 C29 22.1(7) . . . . ?
O8 Dy1 O5 C29 -1.2(8) . . . . ?
O3 Dy1 O5 C29 -127.2(7) . . . . ?
Zn1 Dy1 O5 C29 177.2(6) . . . . ?
O2 Dy1 O6 C27 -82.3(9) . . . . ?
O5 Dy1 O6 C27 -23.8(8) . . . . ?
O1 Dy1 O6 C27 164.1(7) . . . . ?
O7 Dy1 O6 C27 -142.9(9) . . . . ?
O4 Dy1 O6 C27 63.3(8) . . . . ?
O8 Dy1 O6 C27 142.2(9) . . . . ?
O3 Dy1 O6 C27 17.4(10) . . . . ?
Zn1 Dy1 O6 C27 -108.0(8) . . . . ?
O2 Dy1 O7 C24 149.2(8) . . . . ?
O5 Dy1 O7 C24 -143.6(7) . . . . ?
O1 Dy1 O7 C24 77.1(8) . . . . ?
O4 Dy1 O7 C24 -35.6(9) . . . . ?
O6 Dy1 O7 C24 -80.6(8) . . . . ?
O8 Dy1 O7 C24 -2.0(8) . . . . ?
O3 Dy1 O7 C24 125.9(7) . . . . ?
Zn1 Dy1 O7 C24 113.0(8) . . . . ?
O2 Dy1 O8 C34 -42.2(9) . . . . ?
O5 Dy1 O8 C34 102.7(8) . . . . ?
O1 Dy1 O8 C34 -89.6(8) . . . . ?
O7 Dy1 O8 C34 -0.6(8) . . . . ?
O4 Dy1 O8 C34 159.2(8) . . . . ?
O6 Dy1 O8 C34 80.0(8) . . . . ?
O3 Dy1 O8 C34 -147.9(8) . . . . ?
Zn1 Dy1 O8 C34 -75.6(8) . . . . ?
O1 Zn1 N2 C16 -106.0(6) . . . . ?
O2 Zn1 N2 C16 -23.8(6) . . . . ?
N1 Zn1 N2 C16 84.2(6) 3_676 . . . ?
O10 Zn1 N2 C16 178.1(6) . . . . ?
Dy1 Zn1 N2 C16 -58.1(6) . . . . ?
O1 Zn1 N2 C26 74.3(6) . . . . ?
O2 Zn1 N2 C26 156.5(5) . . . . ?
N1 Zn1 N2 C26 -95.5(6) 3_676 . . . ?
O10 Zn1 N2 C26 -1.6(5) . . . . ?
Dy1 Zn1 N2 C26 122.2(5) . . . . ?
O1 Zn1 O10 C22 -33.7(5) . . . . ?
O2 Zn1 O10 C22 48.2(7) . . . . ?
N1 Zn1 O10 C22 -126.1(5) 3_676 . . . ?
N2 Zn1 O10 C22 111.5(5) . . . . ?
Dy1 Zn1 O10 C22 -4.5(6) . . . . ?
O1 Zn1 O10 C19 -169.4(5) . . . . ?
O2 Zn1 O10 C19 -87.5(6) . . . . ?
N1 Zn1 O10 C19 98.2(5) 3_676 . . . ?
N2 Zn1 O10 C19 -24.2(4) . . . . ?
Dy1 Zn1 O10 C19 -140.2(4) . . . . ?
C20 C3 C5 C2 -2.5(17) . . . . ?
C31 C2 C5 C3 1.4(19) . . . . ?
C33 C7 C9 C15 -0.1(18) . . . . ?
Zn1 O1 C11 C15 146.9(6) . . . . ?
Dy1 O1 C11 C15 -66.2(9) . . . . ?
Zn1 O1 C11 C12 -35.3(8) . . . . ?
Dy1 O1 C11 C12 111.5(7) . . . . ?
O1 C11 C12 C33 -178.5(7) . . . . ?
C15 C11 C12 C33 -0.7(11) . . . . ?
O1 C11 C12 C28 2.0(11) . . . . ?
C15 C11 C12 C28 179.8(7) . . . . ?
Dy1 O3 C13 C30 27.1(11) . . . . ?
Dy1 O3 C13 C4 -154.8(7) . . . . ?
F13 C4 C13 O3 162.8(11) . . . . ?
F15 C4 C13 O3 -63.7(15) . . . . ?
F14 C4 C13 O3 41.3(13) . . . . ?
F13 C4 C13 C30 -19.0(16) . . . . ?
F15 C4 C13 C30 114.5(12) . . . . ?
F14 C4 C13 C30 -140.4(10) . . . . ?
C7 C9 C15 C11 -0.9(17) . . . . ?
O1 C11 C15 C9 179.1(9) . . . . ?
C12 C11 C15 C9 1.3(13) . . . . ?
C26 N2 C16 C14 -178.5(7) . . . . ?
Zn1 N2 C16 C14 1.8(10) . . . . ?
C31 C14 C16 N2 -162.2(8) . . . . ?
C20 C14 C16 N2 17.4(12) . . . . ?
Dy1 O4 C17 C30 -24.9(13) . . . . ?
Dy1 O4 C17 C23 156.6(6) . . . . ?
C28 N1 C18 C25 113.2(8) 3_676 . . . ?
Zn1 N1 C18 C25 -65.3(8) 3_676 . . . ?
C22 O10 C19 C26 -93.0(8) . . . . ?
Zn1 O10 C19 C26 45.8(7) . . . . ?
Zn1 O2 C20 C14 -33.5(9) . . . . ?
Dy1 O2 C20 C14 135.1(6) . . . . ?
Zn1 O2 C20 C3 146.3(6) . . . . ?
Dy1 O2 C20 C3 -45.0(11) . . . . ?
C31 C14 C20 O2 -179.8(8) . . . . ?
C16 C14 C20 O2 0.6(12) . . . . ?
C31 C14 C20 C3 0.3(12) . . . . ?
C16 C14 C20 C3 -179.3(8) . . . . ?
C5 C3 C20 O2 -178.3(9) . . . . ?
C5 C3 C20 C14 1.6(13) . . . . ?
C25 O9 C21 C22 175.2(6) . . . . ?
C19 O10 C22 C21 -91.4(8) . . . . ?
Zn1 O10 C22 C21 137.7(5) . . . . ?
O9 C21 C22 O10 70.7(8) . . . . ?
O4 C17 C23 F1 -61.2(12) . . . . ?
C30 C17 C23 F1 120.1(11) . . . . ?
O4 C17 C23 F2 173.8(8) . . . . ?
C30 C17 C23 F2 -4.9(13) . . . . ?
O4 C17 C23 F3 62.9(11) . . . . ?
C30 C17 C23 F3 -115.8(9) . . . . ?
Dy1 O7 C24 C6 3.1(15) . . . . ?
Dy1 O7 C24 C8 -174.6(7) . . . . ?
C34 C6 C24 O7 -1.1(18) . . . . ?
C34 C6 C24 C8 176.5(10) . . . . ?
F11 C8 C24 O7 59.7(16) . . . . ?
F12 C8 C24 O7 -175.1(11) . . . . ?
F10 C8 C24 O7 -55.9(12) . . . . ?
F11 C8 C24 C6 -118.2(13) . . . . ?
F12 C8 C24 C6 7.0(18) . . . . ?
F10 C8 C24 C6 126.2(12) . . . . ?
C21 O9 C25 C18 -175.8(6) . . . . ?
N1 C18 C25 O9 -62.5(9) . . . . ?
C16 N2 C26 C19 -152.8(7) . . . . ?
Zn1 N2 C26 C19 26.9(8) . . . . ?
O10 C19 C26 N2 -49.3(9) . . . . ?
Dy1 O6 C27 C1 20.0(16) . . . . ?
Dy1 O6 C27 C37 -152.4(10) . . . . ?
C29 C1 C27 O6 0.5(16) . . . . ?
C29 C1 C27 C37 173.0(11) . . . . ?
C11 C12 C28 N1 17.7(12) . . . 3_676 ?
C33 C12 C28 N1 -161.8(8) . . . 3_676 ?
Dy1 O5 C29 C1 -15.4(12) . . . . ?
Dy1 O5 C29 C32 166.0(6) . . . . ?
C27 C1 C29 O5 -3.4(13) . . . . ?
C27 C1 C29 C32 175.1(9) . . . . ?
O4 C17 C30 C13 -5.6(14) . . . . ?
C23 C17 C30 C13 172.9(8) . . . . ?
O3 C13 C30 C17 3.3(13) . . . . ?
C4 C13 C30 C17 -174.7(9) . . . . ?
C5 C2 C31 C14 0.6(19) . . . . ?
C20 C14 C31 C2 -1.5(15) . . . . ?
C16 C14 C31 C2 178.2(10) . . . . ?
O5 C29 C32 F6 -49.1(12) . . . . ?
C1 C29 C32 F6 132.2(10) . . . . ?
O5 C29 C32 F5 -169.8(9) . . . . ?
C1 C29 C32 F5 11.5(13) . . . . ?
O5 C29 C32 F4 69.8(10) . . . . ?
C1 C29 C32 F4 -108.9(10) . . . . ?
C9 C7 C33 C12 0.7(17) . . . . ?
C11 C12 C33 C7 -0.3(13) . . . . ?
C28 C12 C33 C7 179.3(9) . . . . ?
Dy1 O8 C34 C6 2.1(16) . . . . ?
Dy1 O8 C34 C36A 176.3(16) . . . . ?
C24 C6 C34 O8 -1.5(19) . . . . ?
C24 C6 C34 C36A -175.3(18) . . . . ?
C36B F17 F18 C36A -39(5) . . . . ?
F18 F17 C36B C36A 27(4) . . . . ?
C36A F17 C36B F16 -24(3) . . . . ?
F18 F17 C36B F16 3(3) . . . . ?
C36A F16 C36B F17 31(4) . . . . ?
F7 F8 C37 F9 89(3) . . . . ?
F7 F8 C37 C27 -98(2) . . . . ?
F7 F9 C37 F8 -87(3) . . . . ?
F7 F9 C37 C27 100(2) . . . . ?
F9 F7 C37 F8 132(2) . . . . ?
F8 F7 C37 F9 -132(2) . . . . ?
F8 F7 C37 C27 112.0(12) . . . . ?
F9 F7 C37 C27 -116.0(15) . . . . ?
O6 C27 C37 F8 14(3) . . . . ?
C1 C27 C37 F8 -159(2) . . . . ?
O6 C27 C37 F9 -171.4(16) . . . . ?
C1 C27 C37 F9 15(2) . . . . ?
O6 C27 C37 F7 -76.0(15) . . . . ?
C1 C27 C37 F7 110.6(12) . . . . ?
C36B F16 C36A F17 -32(4) . . . . ?
C36B F16 C36A F18 -126(3) . . . . ?
C36B F16 C36A C34 95(6) . . . . ?
C36B F17 C36A F16 47(6) . . . . ?
F18 F17 C36A F16 -104(7) . . . . ?
C36B F17 C36A F18 151(4) . . . . ?
C36B F17 C36A C34 -92(4) . . . . ?
F18 F17 C36A C34 117(5) . . . . ?
F18 F17 C36A C36B -151(4) . . . . ?
F17 F18 C36A F16 112(5) . . . . ?
F17 F18 C36A C34 -104(5) . . . . ?
F17 F18 C36A C36B 25(3) . . . . ?
O8 C34 C36A F16 -15(5) . . . . ?
C6 C34 C36A F16 160(4) . . . . ?
O8 C34 C36A F17 115(4) . . . . ?
C6 C34 C36A F17 -70(5) . . . . ?
O8 C34 C36A F18 -149(2) . . . . ?
C6 C34 C36A F18 25(3) . . . . ?
O8 C34 C36A C36B 69(3) . . . . ?
C6 C34 C36A C36B -116(4) . . . . ?
F17 C36B C36A F16 -136(6) . . . . ?
F16 C36B C36A F17 136(6) . . . . ?
F17 C36B C36A F18 -37(5) . . . . ?
F16 C36B C36A F18 99(7) . . . . ?
F17 C36B C36A C34 98(4) . . . . ?
F16 C36B C36A C34 -126(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.738
_refine_diff_density_min         -0.879
_refine_diff_density_rms         0.110
