Skip to main content
. 2022 Mar 8;78(Pt 4):359–364. doi: 10.1107/S2056989022002420
x y z Uiso*/Ueq Occ. (<1)
C11 0.6600 (2) 0.6614 (2) 0.1111 (2) 0.0248 (4)
H11 0.646426 0.711007 0.044607 0.030*
N12 0.7941 (2) 0.62397 (18) 0.1886 (2) 0.0252 (4)
C12 0.9412 (3) 0.6546 (3) 0.1804 (3) 0.0357 (5)
H12A 0.946281 0.605948 0.096999 0.053*
H12B 1.022688 0.634282 0.258022 0.053*
H12C 0.953186 0.744278 0.180683 0.053*
C13 0.7715 (2) 0.5545 (2) 0.2710 (2) 0.0263 (4)
H13 0.847038 0.517102 0.333981 0.032*
N13A 0.6223 (2) 0.54728 (18) 0.2485 (2) 0.0233 (4) 0.855 (17)
C13A 0.6223 (2) 0.54728 (18) 0.2485 (2) 0.0233 (4) 0.145 (17)
C14 0.5420 (3) 0.4899 (2) 0.3113 (3) 0.0303 (5)
H14 0.592227 0.444246 0.379171 0.036*
C15 0.3917 (3) 0.5003 (2) 0.2739 (3) 0.0334 (5)
H15 0.335840 0.463471 0.317513 0.040*
C16 0.3147 (3) 0.5662 (2) 0.1692 (3) 0.0324 (5)
H16 0.208174 0.571172 0.143478 0.039*
C17 0.3906 (2) 0.6215 (2) 0.1063 (3) 0.0273 (4)
H17 0.338477 0.664132 0.036158 0.033*
C17A 0.5491 (2) 0.61438 (19) 0.1470 (2) 0.0222 (4) 0.855 (17)
N17A 0.5491 (2) 0.61438 (19) 0.1470 (2) 0.0222 (4) 0.145 (17)
C21 0.2953 (3) 0.9033 (2) 0.3100 (3) 0.0312 (5)
H21 0.197680 0.902835 0.316380 0.037*
N22 0.3346 (2) 0.9439 (2) 0.2132 (2) 0.0312 (4)
C22 0.2337 (4) 0.9986 (3) 0.1032 (3) 0.0476 (8)
H22A 0.201246 1.076857 0.140803 0.071*
H22B 0.144421 0.939600 0.049935 0.071*
H22C 0.288028 1.015842 0.045426 0.071*
C23 0.4809 (3) 0.9309 (2) 0.2357 (2) 0.0286 (4)
H23 0.535049 0.952375 0.182601 0.034*
N23A 0.5377 (2) 0.88212 (18) 0.34650 (19) 0.0228 (4) 0.855 (17)
C23A 0.5377 (2) 0.88212 (18) 0.34650 (19) 0.0228 (4) 0.145 (17)
C24 0.6857 (3) 0.8517 (2) 0.4121 (3) 0.0324 (5)
H24 0.763660 0.864674 0.378530 0.039*
C25 0.7145 (4) 0.8036 (3) 0.5241 (3) 0.0417 (7)
H25 0.813962 0.781557 0.569003 0.050*
C26 0.6008 (4) 0.7853 (3) 0.5760 (3) 0.0435 (7)
H26 0.625542 0.752176 0.655778 0.052*
C27 0.4577 (4) 0.8137 (2) 0.5151 (3) 0.0377 (6)
H27 0.381785 0.800864 0.550997 0.045*
C27A 0.4226 (3) 0.8635 (2) 0.3958 (2) 0.0254 (4) 0.855 (17)
N27A 0.4226 (3) 0.8635 (2) 0.3958 (2) 0.0254 (4) 0.145 (17)
Zn1 0.83992 (3) 0.19500 (3) 0.25185 (3) 0.02399 (7)
Cl1 0.58526 (6) 0.19206 (6) 0.13225 (6) 0.02775 (11)
Cl2 0.9808 (5) 0.2984 (5) 0.1553 (5) 0.02266 (7) 0.3034 (15)
I2 1.00082 (4) 0.30678 (4) 0.14728 (5) 0.02266 (7) 0.6966 (15)
Cl3 0.90002 (15) −0.00570 (10) 0.25354 (14) 0.03234 (17) 0.9489 (12)
I3 0.8998 (9) −0.0326 (4) 0.2395 (9) 0.03234 (17) 0.0511 (12)
Cl4 0.88891 (13) 0.30928 (11) 0.46268 (11) 0.03401 (18) 0.9343 (12)
I4 0.8998 (6) 0.3042 (5) 0.4976 (3) 0.03401 (18) 0.0657 (12)