# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2025

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

data_zzx2_0m
_database_code_depnum_ccdc_archive 'CCDC 2483512'
loop_
_audit_author_name
_audit_author_address
'Zhongxin Zhou' 'changzhou university'
_audit_update_record             
;
2025-08-28 deposited with the CCDC.	2025-11-13 downloaded from the CCDC.
;
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
_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
_cell_length_a                   11.7113(9)
_cell_length_b                   10.2649(6)
_cell_length_c                   34.421(2)
_cell_angle_alpha                90
_cell_angle_beta                 91.181(4)
_cell_angle_gamma                90
_cell_volume                     4137.05
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_thermal_displace_type
O29 O 0.63070(17) 1.0274(2) 0.54227(6) 0.0425 Uani
O7 O 0.71408(17) 0.5372(2) 0.35660(6) 0.0447 Uani
O11 O 1.02430(17) 0.5755(2) 0.44964(6) 0.0494 Uani
O35 O 0.36501(18) 0.6776(2) 0.52101(7) 0.0478 Uani
N32 N 0.4213(2) 0.9124(3) 0.55843(7) 0.0400 Uani
C13 C 1.0764(2) 0.4722(3) 0.38819(9) 0.0381 Uani
C9 C 0.8741(2) 0.5508(3) 0.40139(8) 0.0375 Uani
C30 C 0.5746(2) 1.0581(3) 0.57626(9) 0.0390 Uani
C33 C 0.4964(2) 0.8532(3) 0.53259(9) 0.0372 Uani
C27 C 0.6789(2) 0.8497(3) 0.50118(9) 0.0390 Uani
H27 H 0.752463 0.886603 0.497922 0.0470 Uiso
C26 C 0.6478(2) 0.7357(3) 0.48134(9) 0.0387 Uani
C28 C 0.6018(2) 0.9081(3) 0.52557(8) 0.0376 Uani
C14 C 1.1683(2) 0.4195(3) 0.36756(9) 0.0386 Uani
H14 H 1.153456 0.388805 0.341919 0.0460 Uiso
C8 C 0.7591(2) 0.5738(3) 0.39220(9) 0.0388 Uani
C37 C 0.3052(2) 0.8712(3) 0.55663(8) 0.0380 Uani
C51 C 0.4759(3) 1.1142(3) 0.64804(9) 0.0432 Uani
C34 C 0.4678(2) 0.7383(3) 0.51350(9) 0.0389 Uani
C31 C 0.4706(2) 1.0010(3) 0.58584(9) 0.0378 Uani
C36 C 0.2801(2) 0.7557(3) 0.53727(9) 0.0415 Uani
C25 C 0.6855(3) 0.6340(3) 0.41743(9) 0.0411 Uani
H25 H 0.607895 0.648170 0.410079 0.0490 Uiso
C50 C 0.4261(2) 1.0259(3) 0.62199(9) 0.0411 Uani
H50 H 0.358967 0.981066 0.629368 0.0490 Uiso
C24 C 0.7268(3) 0.6736(3) 0.45380(9) 0.0404 Uani
C2 C 0.9375(2) 0.3484(3) 0.30808(9) 0.0403 Uani
H2 H 1.014114 0.319860 0.311851 0.0480 Uiso
C12 C 1.1039(3) 0.5197(3) 0.42513(9) 0.0439 Uani
C38 C 0.2156(2) 0.9445(3) 0.57063(9) 0.0398 Uani
H38 H 0.231835 1.026717 0.582171 0.0480 Uiso
C15 C 1.2788(2) 0.4096(3) 0.38227(9) 0.0405 Uani
C23 C 0.8416(3) 0.6537(3) 0.46418(9) 0.0416 Uani
H23 H 0.870397 0.680527 0.488920 0.0500 Uiso
C1 C 0.8906(2) 0.4292(3) 0.33691(9) 0.0382 Uani
C3 C 0.8800(3) 0.3080(3) 0.27490(9) 0.0425 Uani
C6 C 0.7769(2) 0.4649(3) 0.33077(9) 0.0412 Uani
C10 C 0.9129(2) 0.5942(3) 0.43777(9) 0.0395 Uani
C18 C 1.3707(2) 0.3425(3) 0.35808(9) 0.0425 Uani
C54 C 0.4255(3) 1.1319(3) 0.68834(10) 0.0480 Uani
C39 C 0.1026(3) 0.9022(3) 0.56839(9) 0.0440 Uani
C41 C 0.1694(3) 0.7116(3) 0.53407(10) 0.0501 Uani
H41 H 0.152908 0.632307 0.520868 0.0600 Uiso
C49 C 0.5407(3) 0.6806(3) 0.48777(9) 0.0403 Uani
H49 H 0.518179 0.603495 0.474399 0.0480 Uiso
C53 C 0.6250(3) 1.1476(3) 0.60097(10) 0.0454 Uani
H53 H 0.693770 1.189586 0.593851 0.0540 Uiso
C52 C 0.5757(3) 1.1766(3) 0.63621(10) 0.0478 Uani
H52 H 0.610396 1.240124 0.652694 0.0570 Uiso
C5 C 0.7161(3) 0.4296(3) 0.29711(10) 0.0488 Uani
H5 H 0.639712 0.458525 0.293036 0.0580 Uiso
C58 C 0.9315(3) 0.2181(3) 0.24431(10) 0.0473 Uani
C16 C 1.2990(3) 0.4578(4) 0.41956(10) 0.0516 Uani
H16 H 1.373835 0.452278 0.430648 0.0620 Uiso
C17 C 1.2135(3) 0.5131(4) 0.44073(10) 0.0556 Uani
H17 H 1.229584 0.546741 0.465970 0.0670 Uiso
C19 C 1.4883(3) 0.3483(4) 0.37794(11) 0.0536 Uani
H19A H 1.510406 0.439427 0.381959 0.0800 Uiso
H19B H 1.544376 0.305298 0.361506 0.0800 Uiso
H19C H 1.485733 0.303740 0.403089 0.0800 Uiso
C40 C 0.0821(3) 0.7831(4) 0.55012(10) 0.0522 Uani
H40 H 0.006345 0.750231 0.548659 0.0630 Uiso
C4 C 0.7674(3) 0.3528(3) 0.26998(10) 0.0498 Uani
H4 H 0.725490 0.329079 0.247133 0.0600 Uiso
C59 C 1.0544(3) 0.1786(4) 0.25485(11) 0.0574 Uani
H59A H 1.055850 0.133054 0.279876 0.0860 Uiso
H59B H 1.102350 0.256677 0.256701 0.0860 Uiso
H59C H 1.083669 0.120761 0.234699 0.0860 Uiso
C55 C 0.2950(3) 1.1453(4) 0.68542(11) 0.0572 Uani
H55A H 0.275043 1.217954 0.668093 0.0860 Uiso
H55B H 0.264867 1.162084 0.711289 0.0860 Uiso
H55C H 0.261936 1.064558 0.675009 0.0860 Uiso
C42 C 0.0037(3) 0.9853(4) 0.58401(12) 0.0560 Uani
C57 C 0.4716(3) 1.2540(4) 0.70859(11) 0.0616 Uani
H57A H 0.554239 1.245447 0.712843 0.0920 Uiso
H57B H 0.434434 1.264488 0.733648 0.0920 Uiso
H57C H 0.455601 1.330312 0.692270 0.0920 Uiso
C56 C 0.4556(4) 1.0110(4) 0.71279(11) 0.0662 Uani
H56A H 0.424566 0.933102 0.699946 0.0990 Uiso
H56B H 0.422536 1.019670 0.738592 0.0990 Uiso
H56C H 0.538761 1.003175 0.715442 0.0990 Uiso
B22 B 0.9514(3) 0.4799(3) 0.37373(10) 0.0378 Uani
C21 C 1.3373(3) 0.1990(4) 0.35269(14) 0.0654 Uani
H21A H 1.330058 0.157771 0.378196 0.0980 Uiso
H21B H 1.396421 0.154118 0.338032 0.0980 Uiso
H21C H 1.264241 0.193545 0.338409 0.0980 Uiso
C20 C 1.3773(3) 0.4062(5) 0.31811(10) 0.0634 Uani
H20A H 1.303550 0.397450 0.304405 0.0950 Uiso
H20B H 1.436757 0.363372 0.303079 0.0950 Uiso
H20C H 1.395960 0.498781 0.321187 0.0950 Uiso
C61 C 0.8602(3) 0.0930(4) 0.24174(14) 0.0681 Uani
H61A H 0.890849 0.035953 0.221648 0.1020 Uiso
H61B H 0.780727 0.115052 0.235086 0.1020 Uiso
H61C H 0.863288 0.047960 0.266851 0.1020 Uiso
C60 C 0.9330(4) 0.2865(5) 0.20511(11) 0.0767 Uani
H60A H 0.980539 0.364850 0.207114 0.1150 Uiso
H60B H 0.854953 0.311042 0.197339 0.1150 Uiso
H60C H 0.964435 0.227609 0.185635 0.1150 Uiso
C43 C 0.0432(5) 1.0945(7) 0.61136(18) 0.0586 Uani
H01Z H 0.080329 1.056662 0.634513 0.0880 Uiso
HB H -0.022867 1.146210 0.619086 0.0880 Uiso
HC H 0.097595 1.150635 0.598005 0.0880 Uiso
C46 C -0.0512(4) 1.0643(5) 0.54655(17) 0.0613 Uani
H01 H 0.008154 1.117471 0.534651 0.0920 Uiso
HD H -0.113104 1.120825 0.555230 0.0920 Uiso
HE H -0.081387 1.001768 0.527442 0.0920 Uiso
C48 C -0.0883(5) 0.9068(6) 0.6007(2) 0.0745 Uani
H1 H -0.120905 0.849183 0.580648 0.1120 Uiso
HF H -0.147993 0.964620 0.610318 0.1120 Uiso
HG H -0.057317 0.854254 0.622221 0.1120 Uiso

#END
