# Electronic Supplementary Material (ESI) for Sensors & Diagnostics.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2192462'
loop_
_audit_author_name
_audit_author_address
a
;CCDC
China
;
_audit_update_record             
;
2022-07-25 deposited with the CCDC.	2023-04-20 downloaded from the CCDC.
;
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   15.28(3)
_cell_length_b                   15.74(4)
_cell_length_c                   19.75(4)
_cell_angle_alpha                69.75(5)
_cell_angle_beta                 76.08(5)
_cell_angle_gamma                72.90(5)
_cell_volume                     4208.09
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.4161(5) 0.1606(4) 0.2522(3)
O2 O 0.5426(4) 0.2835(4) 0.3713(3)
O3 O 0.4870(4) 0.4536(4) -0.0505(3)
O4 O 0.5337(4) 0.6663(5) 0.1417(4)
N1 N 0.5870(5) 0.2907(4) 0.0475(4)
N2 N 0.4936(4) 0.3360(4) 0.0530(3)
N3 N 0.5194(5) 0.5263(5) 0.2213(4)
N4 N 0.4275(6) 0.5358(6) 0.2528(4)
N5 N 0.3501(7) -0.0329(6) 0.1508(6)
N6 N 0.6445(15) 0.3896(11) 0.5218(8)
C1 C 0.6324(6) 0.3032(6) -0.0154(6)
C2 C 0.7328(6) 0.2623(5) -0.0211(5)
C3 C 0.7784(6) 0.2747(6) -0.0892(5)
H3 H 0.7471 0.3037 -0.1292
C4 C 0.8710(6) 0.2438(7) -0.0982(6)
H4 H 0.9025 0.2547 -0.1458
C5 C 0.9212(6) 0.1987(7) -0.0442(7)
C6 C 0.8790(6) 0.1864(7) 0.0233(6)
H6 H 0.9119 0.1565 0.0623
C7 C 0.7831(6) 0.2196(6) 0.0347(5)
H7 H 0.7523 0.2123 0.0824
C8 C 1.0392(5) 0.1028(5) -0.1276(5)
C9 C 0.9792(5) 0.0435(6) -0.1056(5)
H9 H 0.9430 0.0348 -0.0597
C10 C 0.9733(7) -0.0028(6) -0.1523(8)
H10 H 0.9331 -0.0425 -0.1376
C11 C 1.0274(10) 0.0102(8) -0.2209(7)
H11 H 1.0234 -0.0208 -0.2521
C12 C 1.0874(8) 0.0695(9) -0.2429(4)
H12 H 1.1236 0.0782 -0.2888
C13 C 1.0933(5) 0.1158(6) -0.1963(5)
H13 H 1.1334 0.1555 -0.2110
C14 C 1.1904(7) 0.1287(8) -0.0944(8)
C15 C 1.2296(7) 0.0375(7) -0.0837(6)
H15 H 1.1941 -0.0068 -0.0635
C16 C 1.3226(9) 0.0123(10) -0.1034(8)
H16 H 1.3532 -0.0493 -0.1000
C17 C 1.3683(11) 0.0807(14) -0.1281(10)
H17 H 1.4322 0.0610 -0.1392
C18 C 1.3368(12) 0.1731(15) -0.1395(12)
H18 H 1.3723 0.2173 -0.1603
C19 C 1.2450(11) 0.1905(9) -0.1156(7)
H19 H 1.2162 0.2506 -0.1134
C20 C 1.0753(5) 0.2279(5) -0.0108(4)
C21 C 1.1339(5) 0.1878(6) 0.0416(5)
H21 H 1.1673 0.1264 0.0488
C22 C 1.1425(7) 0.2395(10) 0.0832(5)
H22 H 1.1817 0.2127 0.1182
C23 C 1.0926(8) 0.3313(10) 0.0724(6)
H23 H 1.0984 0.3659 0.1002
C24 C 1.0340(7) 0.3714(5) 0.0200(7)
H24 H 1.0006 0.4328 0.0127
C25 C 1.0254(5) 0.3197(6) -0.0216(5)
H25 H 0.9862 0.3466 -0.0567
C26 C 0.4516(6) 0.4152(6) 0.0078(5)
C27 C 0.3594(5) 0.4397(6) 0.0454(5)
C28 C 0.2921(7) 0.5128(6) 0.0259(6)
H28 H 0.2990 0.5573 -0.0193
C29 C 0.2111(8) 0.5215(9) 0.0742(10)
H29 H 0.1629 0.5733 0.0614
C30 C 0.1995(8) 0.4587(11) 0.1384(8)
H30 H 0.1437 0.4665 0.1698
C31 C 0.2678(6) 0.3838(7) 0.1584(6)
H31 H 0.2611 0.3386 0.2033
C32 C 0.3479(6) 0.3770(6) 0.1097(5)
C33 C 0.4361(5) 0.3021(5) 0.1202(4)
C34 C 0.4182(5) 0.2119(5) 0.1256(5)
C35 C 0.4078(5) 0.1894(5) 0.0694(5)
H35 H 0.4167 0.2310 0.0230
C36 C 0.3853(6) 0.1106(7) 0.0752(6)
H36 H 0.3783 0.0992 0.0338
C37 C 0.3729(6) 0.0477(7) 0.1419(6)
C38 C 0.3852(6) 0.0685(6) 0.1985(5)
H38 H 0.3785 0.0268 0.2450
C39 C 0.4071(6) 0.1491(6) 0.1892(5)
C40 C 0.4570(6) 0.2292(6) 0.2472(5)
C41 C 0.4810(6) 0.2270(6) 0.3086(5)
H41 H 0.4711 0.1798 0.3516
C42 C 0.5196(5) 0.2943(6) 0.3071(5)
C43 C 0.5776(6) 0.3487(7) 0.3774(5)
C44 C 0.5944(6) 0.3352(7) 0.4461(4)
H44 H 0.5828 0.2824 0.4834
C45 C 0.6274(8) 0.3969(8) 0.4611(7)
C46 C 0.6398(7) 0.4739(9) 0.4048(6)
H46 H 0.6593 0.5198 0.4128
C47 C 0.6244(6) 0.4851(7) 0.3382(5)
H47 H 0.6366 0.5378 0.3010
C48 C 0.5924(5) 0.4247(6) 0.3213(4)
C49 C 0.5793(5) 0.4348(5) 0.2481(4)
C50 C 0.5367(5) 0.3619(5) 0.2470(4)
C51 C 0.5099(4) 0.3626(5) 0.1866(4)
H51 H 0.5180 0.4115 0.1444
C52 C 0.4722(5) 0.2971(5) 0.1835(4)
C53 C 0.3428(11) -0.0998(9) 0.2209(8)
C54 C 0.2471(11) -0.0754(10) 0.2596(10)
H54A H 0.2295 -0.0098 0.2538
H54B H 0.2447 -0.1093 0.3106
H54C H 0.2051 -0.0915 0.2395
C55 C 0.3276(9) -0.0535(8) 0.0915(8)
C56 C 0.4079(10) -0.1033(9) 0.0610(7)
H56A H 0.4462 -0.0617 0.0300
H56B H 0.3930 -0.1344 0.0326
H56C H 0.4406 -0.1485 0.0990
C57 C 0.6495(12) 0.3021(15) 0.5709(11)
C58 C 0.565(2) 0.3044(10) 0.6134(11)
C59 C 0.7019(11) 0.4405(12) 0.5336(8)
C60 C 0.6164(12) 0.5054(12) 0.5505(7)
C61 C 0.6644(6) 0.4467(7) 0.1970(5)
C62 C 0.7420(7) 0.3834(7) 0.1919(5)
H62 H 0.7456 0.3222 0.2212
C63 C 0.8188(8) 0.4084(11) 0.1425(7)
H63 H 0.8740 0.3641 0.1385
C64 C 0.8120(9) 0.4991(12) 0.0997(6)
H64 H 0.8630 0.5168 0.0668
C65 C 0.7327(9) 0.5613(8) 0.1052(5)
H65 H 0.7270 0.6228 0.0762
C66 C 0.6576(6) 0.5324(7) 0.1555(5)
C67 C 0.5656(7) 0.5863(7) 0.1678(5)
C68 C 0.3776(7) 0.6122(8) 0.2355(5)
C69 C 0.2774(6) 0.6172(7) 0.2689(5)
C70 C 0.2211(6) 0.7026(7) 0.2645(6)
H70 H 0.2449 0.7550 0.2399
C71 C 0.1306(7) 0.7133(6) 0.2951(5)
H71 H 0.0946 0.7727 0.2937
C72 C 0.0909(6) 0.6384(7) 0.3280(6)
C73 C 0.1470(7) 0.5525(7) 0.3284(6)
H73 H 0.1220 0.5003 0.3473
C74 C 0.2379(6) 0.5431(7) 0.3016(5)
H74 H 0.2751 0.4836 0.3055
C75 C -0.0107(7) 0.6448(8) 0.3531(7)
C76 C -0.0563(7) 0.5947(7) 0.3263(8)
C77 C -0.0486(9) 0.6094(10) 0.2526(8)
H77 H -0.0202 0.6552 0.2189
C78 C -0.0839(10) 0.5548(11) 0.2297(9)
H78 H -0.0779 0.5612 0.1803
C79 C -0.1274(12) 0.4917(12) 0.2808(10)
H79 H -0.1619 0.4629 0.2664
C80 C -0.1219(10) 0.4695(11) 0.3516(10)
H80 H -0.1382 0.4157 0.3842
C81 C -0.0925(7) 0.5255(8) 0.3759(6)
H81 H -0.0972 0.5163 0.4256
C82 C -0.0564(7) 0.6974(9) 0.3972(7)
C83 C -0.0059(9) 0.7449(10) 0.4242(6)
C84 C 0.0675(10) 0.7024(12) 0.4624(7)
H84 H 0.0846 0.6379 0.4734
C85 C 0.120(2) 0.7405(19) 0.4868(16)
H85 H 0.1735 0.7100 0.5072
C86 C 0.0755(17) 0.833(2) 0.4746(15)
H86 H 0.1044 0.8666 0.4896
C87 C -0.0033(17) 0.8864(13) 0.4446(10)
H87 H -0.0273 0.9488 0.4421
C88 C -0.0431(9) 0.8379(10) 0.4188(7)
H88 H -0.0961 0.8685 0.3972
C89 C -0.1585(6) 0.7072(6) 0.4212(9)
C90 C -0.1905(10) 0.7023(8) 0.4942(8)
H90 H -0.1486 0.6869 0.5262
C91 C -0.2852(12) 0.7203(8) 0.5195(7)
H91 H -0.3066 0.7170 0.5684
C92 C -0.3479(6) 0.7433(8) 0.4718(10)
H92 H -0.4112 0.7554 0.4887
C93 C -0.3159(9) 0.7483(9) 0.3987(9)
H93 H -0.3578 0.7637 0.3668
C94 C -0.2212(10) 0.7302(8) 0.3734(6)
H94 H -0.1998 0.7336 0.3246
C95 C 1.0209(8) 0.1611(8) -0.0772(6)
C96 C 1.0953(9) 0.1695(8) -0.0607(6)
