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. 2025 Jun 12;81(Pt 7):600–612. doi: 10.1107/S2056989025004918
x y z Uiso*/Ueq
Au1 0.12963 (2) 0.57480 (2) 0.30094 (2) 0.01413 (4)
Cl1 −0.00345 (7) 0.73055 (10) 0.33360 (4) 0.02595 (19)
Cl2 0.02152 (7) 0.57500 (10) 0.19040 (4) 0.02372 (18)
Cl3 0.25817 (7) 0.40513 (9) 0.27059 (4) 0.02354 (18)
Cl4 0.24188 (7) 0.58758 (9) 0.40983 (4) 0.02000 (17)
Cl5 0.51690 (7) 0.73443 (9) 0.50633 (4) 0.02119 (17)
N11 0.6828 (3) 1.0179 (3) 0.52815 (17) 0.0249 (7)
H01 0.635 (3) 0.937 (3) 0.520 (2) 0.040 (6)*
H02 0.636 (3) 1.096 (3) 0.531 (2) 0.040 (6)*
C12 0.7612 (3) 0.9856 (4) 0.59581 (18) 0.0252 (8)
H12A 0.715745 0.969530 0.631218 0.030*
H12B 0.813085 1.075855 0.609923 0.030*
C13 0.8313 (3) 0.8411 (4) 0.59031 (17) 0.0222 (8)
H13A 0.779165 0.749955 0.579664 0.027*
H13B 0.884969 0.821518 0.635221 0.027*
C14 0.8999 (3) 0.8573 (4) 0.53461 (18) 0.0218 (7)
H14 0.955107 0.946081 0.547316 0.026*
C15 0.8171 (3) 0.8967 (4) 0.46645 (17) 0.0234 (8)
H15A 0.861708 0.914951 0.430811 0.028*
H15B 0.765487 0.806449 0.451607 0.028*
C16 0.7453 (3) 1.0391 (4) 0.47174 (19) 0.0265 (8)
H16A 0.795594 1.132348 0.481286 0.032*
H16B 0.689271 1.056020 0.427467 0.032*
C17 0.9689 (3) 0.7088 (4) 0.5285 (2) 0.0383 (10)
H17A 0.915964 0.620502 0.515775 0.057*
H17B 1.021796 0.687146 0.572749 0.057*
H17C 1.012957 0.723801 0.492892 0.057*
N21 0.5144 (3) 0.5186 (3) 0.37818 (15) 0.0209 (6)
H03 0.478 (3) 0.436 (3) 0.3564 (19) 0.040 (6)*
H04 0.488 (3) 0.539 (4) 0.4156 (15) 0.040 (6)*
C22 0.6383 (3) 0.4730 (4) 0.39781 (19) 0.0249 (8)
H22A 0.646442 0.374722 0.424704 0.030*
H22B 0.682588 0.555456 0.427249 0.030*
C23 0.6862 (3) 0.4506 (4) 0.3344 (2) 0.0286 (8)
H23A 0.648522 0.358872 0.308443 0.034*
H23B 0.769593 0.427975 0.348859 0.034*
C24 0.6685 (3) 0.5933 (4) 0.28683 (18) 0.0251 (8)
H24 0.713218 0.682951 0.311747 0.030*
C25 0.5407 (3) 0.6361 (4) 0.26959 (17) 0.0239 (8)
H25A 0.529406 0.732463 0.241350 0.029*
H25B 0.496473 0.551134 0.241838 0.029*
C26 0.4947 (3) 0.6617 (4) 0.33334 (18) 0.0234 (8)
H26A 0.533984 0.752402 0.359341 0.028*
H26B 0.411326 0.684907 0.320002 0.028*
C27 0.7111 (4) 0.5607 (5) 0.2217 (2) 0.0366 (10)
H27A 0.671625 0.468478 0.198415 0.055*
H27B 0.794261 0.541498 0.233775 0.055*
H27C 0.694875 0.651169 0.190796 0.055*