x | y | z | Uiso*/Ueq | ||
Cu1 | 0.5000 | 0.86302 (6) | 0.2500 | 0.0410 (2) | |
Cu2 | 0.68569 (2) | 0.80745 (4) | 0.23216 (4) | 0.0404 (2) | |
N1 | 0.62147 (15) | 0.8496 (3) | 0.2723 (3) | 0.0401 (8) | |
N2 | 0.56137 (15) | 0.8380 (3) | 0.1900 (3) | 0.0425 (9) | |
N3 | 0.74587 (15) | 0.7504 (3) | 0.1787 (3) | 0.0386 (8) | |
O1 | 0.57183 (12) | 0.8896 (2) | 0.3816 (2) | 0.0446 (7) | |
O2 | 0.74777 (12) | 0.8431 (2) | 0.3698 (2) | 0.0442 (7) | |
O3 | 0.61596 (13) | 0.7851 (3) | 0.0920 (2) | 0.0523 (8) | |
C1 | 0.62281 (18) | 0.8758 (3) | 0.3692 (3) | 0.0363 (9) | |
C2 | 0.73934 (18) | 0.8742 (3) | 0.4567 (3) | 0.0361 (9) | |
C3 | 0.68203 (18) | 0.8912 (3) | 0.4623 (3) | 0.0341 (9) | |
C4 | 0.68036 (19) | 0.9281 (3) | 0.5618 (3) | 0.0399 (10) | |
H4 | 0.6421 | 0.9386 | 0.5645 | 0.048* | |
C5 | 0.7314 (2) | 0.9484 (3) | 0.6518 (3) | 0.0440 (11) | |
H5 | 0.7278 | 0.9733 | 0.7144 | 0.053* | |
C6 | 0.7909 (2) | 0.9322 (3) | 0.6522 (3) | 0.0421 (10) | |
C7 | 0.79500 (19) | 0.8936 (3) | 0.5546 (3) | 0.0398 (10) | |
C8 | 0.85377 (19) | 0.8776 (4) | 0.5545 (4) | 0.0503 (11) | |
H8 | 0.8570 | 0.8522 | 0.4919 | 0.060* | |
C9 | 0.9059 (2) | 0.8990 (5) | 0.6448 (4) | 0.0674 (15) | |
H9 | 0.9443 | 0.8885 | 0.6426 | 0.081* | |
C10 | 0.9026 (2) | 0.9367 (4) | 0.7415 (4) | 0.0655 (15) | |
H10 | 0.9385 | 0.9507 | 0.8029 | 0.079* | |
C11 | 0.8464 (2) | 0.9522 (4) | 0.7439 (4) | 0.0559 (13) | |
H11 | 0.8443 | 0.9767 | 0.8080 | 0.067* | |
C12 | 0.56432 (19) | 0.8035 (4) | 0.0990 (4) | 0.0451 (11) | |
C13 | 0.5056 (2) | 0.7872 (4) | −0.0027 (4) | 0.0548 (13) | |
H13 | 0.4703 | 0.7944 | 0.0176 | 0.066* | |
C14 | 0.5046 (3) | 0.6793 (5) | −0.0479 (5) | 0.090 (2) | |
H14A | 0.5318 | 0.6765 | −0.0854 | 0.135* | |
H14B | 0.4634 | 0.6627 | −0.0982 | 0.135* | |
H14C | 0.5180 | 0.6310 | 0.0114 | 0.135* | |
C15 | 0.5004 (3) | 0.8681 (5) | −0.0879 (5) | 0.0862 (19) | |
H15A | 0.5084 | 0.9344 | −0.0539 | 0.129* | |
H15B | 0.4595 | 0.8668 | −0.1449 | 0.129* | |
H15C | 0.5299 | 0.8541 | −0.1188 | 0.129* | |
C16 | 0.7284 (2) | 0.6777 (3) | 0.0995 (3) | 0.0414 (10) | |
H16 | 0.6872 | 0.6577 | 0.0689 | 0.050* | |
C17 | 0.7684 (2) | 0.6324 (3) | 0.0624 (4) | 0.0468 (11) | |
H17 | 0.7548 | 0.5822 | 0.0084 | 0.056* | |
C18 | 0.8288 (2) | 0.6624 (4) | 0.1064 (4) | 0.0585 (13) | |
H18 | 0.8571 | 0.6324 | 0.0829 | 0.070* | |
C19 | 0.8476 (2) | 0.7379 (5) | 0.1861 (4) | 0.0604 (13) | |
H19 | 0.8883 | 0.7605 | 0.2160 | 0.072* | |
C20 | 0.8046 (2) | 0.7787 (4) | 0.2200 (4) | 0.0489 (11) | |
H20 | 0.8174 | 0.8285 | 0.2745 | 0.059* |