x | y | z | Uiso*/Ueq | ||
C1 | 1.1923 (7) | 0.6618 (3) | 0.3808 (6) | 0.0451 (14) | |
H1 | 1.1942 | 0.6524 | 0.4550 | 0.054* | |
C2 | 1.2836 (8) | 0.6300 (4) | 0.3159 (7) | 0.0561 (18) | |
H2 | 1.3456 | 0.6005 | 0.3460 | 0.067* | |
C3 | 1.2791 (7) | 0.6435 (4) | 0.2071 (7) | 0.0552 (18) | |
H3 | 1.3385 | 0.6229 | 0.1616 | 0.066* | |
C4 | 1.1860 (7) | 0.6880 (4) | 0.1640 (6) | 0.0467 (15) | |
H4 | 1.1812 | 0.6968 | 0.0896 | 0.056* | |
C5 | 1.0994 (6) | 0.7192 (3) | 0.2350 (5) | 0.0370 (12) | |
C6 | 1.0010 (7) | 0.7708 (3) | 0.1986 (5) | 0.0404 (14) | |
C7 | 0.9737 (8) | 0.7881 (4) | 0.0812 (5) | 0.0532 (17) | |
H7A | 0.9677 | 0.8365 | 0.0731 | 0.080* | |
H7B | 0.8929 | 0.7676 | 0.0575 | 0.080* | |
H7C | 1.0432 | 0.7712 | 0.0378 | 0.080* | |
C8 | 0.8049 (6) | 0.8668 (3) | 0.3545 (5) | 0.0364 (12) | |
C9 | 0.7033 (7) | 0.9222 (3) | 0.3491 (5) | 0.0400 (13) | |
C10 | 0.6377 (9) | 0.9389 (4) | 0.2532 (7) | 0.064 (2) | |
H10 | 0.6593 | 0.9167 | 0.1893 | 0.076* | |
C11 | 0.5411 (9) | 0.9875 (4) | 0.2496 (7) | 0.067 (2) | |
H11 | 0.4971 | 0.9973 | 0.1843 | 0.080* | |
C12 | 0.5094 (8) | 1.0221 (4) | 0.3453 (7) | 0.0556 (18) | |
H12 | 0.4448 | 1.0553 | 0.3439 | 0.067* | |
C13 | 0.5742 (8) | 1.0065 (3) | 0.4398 (6) | 0.0487 (16) | |
H13 | 0.5536 | 1.0294 | 0.5033 | 0.058* | |
C14 | 0.6709 (7) | 0.9568 (3) | 0.4436 (6) | 0.0473 (15) | |
H14 | 0.7138 | 0.9466 | 0.5093 | 0.057* | |
C15 | 1.2059 (8) | 0.8590 (4) | 0.4491 (6) | 0.0527 (17) | |
H15 | 1.1929 | 0.8680 | 0.3752 | 0.063* | |
C16 | 1.3118 (9) | 0.8881 (4) | 0.5021 (8) | 0.063 (2) | |
H16 | 1.3707 | 0.9146 | 0.4646 | 0.076* | |
C17 | 1.3282 (8) | 0.8767 (4) | 0.6122 (8) | 0.064 (2) | |
H17 | 1.3977 | 0.8967 | 0.6504 | 0.076* | |
C18 | 1.2418 (7) | 0.8358 (3) | 0.6658 (6) | 0.0495 (16) | |
H18 | 1.2515 | 0.8283 | 0.7403 | 0.059* | |
C19 | 1.1398 (6) | 0.8059 (3) | 0.6063 (5) | 0.0360 (12) | |
C20 | 1.0465 (7) | 0.7564 (3) | 0.6536 (5) | 0.0374 (14) | |
C21 | 1.0476 (10) | 0.7429 (4) | 0.7719 (6) | 0.0523 (19) | |
H21A | 1.1219 | 0.7154 | 0.7914 | 0.078* | |
H21B | 0.9691 | 0.7196 | 0.7903 | 0.078* | |
H21C | 1.0528 | 0.7852 | 0.8108 | 0.078* | |
C22 | 0.8200 (6) | 0.6570 (3) | 0.5195 (5) | 0.0358 (12) | |
C23 | 0.7290 (6) | 0.6000 (3) | 0.5351 (5) | 0.0384 (12) | |
C24 | 0.7114 (8) | 0.5723 (4) | 0.6395 (6) | 0.0568 (18) | |
H24 | 0.7605 | 0.5879 | 0.6992 | 0.068* | |
C25 | 0.6194 (10) | 0.5212 (5) | 0.6517 (9) | 0.081 (3) | |
H25 | 0.6088 | 0.5021 | 0.7202 | 0.098* | |
C26 | 0.5425 (10) | 0.4977 (5) | 0.5641 (9) | 0.075 (3) | |
H26 | 0.4785 | 0.4650 | 0.5743 | 0.090* | |
C27 | 0.5632 (8) | 0.5235 (4) | 0.4637 (8) | 0.061 (2) | |
H27 | 0.5155 | 0.5067 | 0.4042 | 0.073* | |
C28 | 0.6546 (7) | 0.5747 (3) | 0.4480 (6) | 0.0462 (14) | |
H28 | 0.6659 | 0.5921 | 0.3785 | 0.055* | |
N1 | 1.1029 (5) | 0.7048 (3) | 0.3422 (4) | 0.0379 (11) | |
N2 | 0.9417 (5) | 0.7980 (3) | 0.2778 (4) | 0.0338 (10) | |
N3 | 0.8495 (6) | 0.8480 (3) | 0.2592 (4) | 0.0414 (11) | |
N4 | 1.1212 (5) | 0.8188 (3) | 0.4977 (4) | 0.0389 (11) | |
N5 | 0.9746 (6) | 0.7265 (2) | 0.5806 (4) | 0.0352 (11) | |
N6 | 0.8911 (5) | 0.6760 (3) | 0.6080 (4) | 0.0373 (11) | |
Ni1 | 0.96750 (6) | 0.76219 (3) | 0.42846 (5) | 0.0314 (2) | |
O1 | 0.8347 (5) | 0.8422 (2) | 0.4467 (4) | 0.0439 (10) | |
O2 | 0.8288 (5) | 0.6838 (2) | 0.4245 (4) | 0.0415 (10) |