x | y | z | Uiso*/Ueq | ||
Pb1 | 0.31380 (3) | 0.02444 (2) | 0.362929 (15) | 0.02612 (13) | |
O3 | 0.3180 (9) | 0.0845 (7) | 0.5451 (4) | 0.0433 (14) | |
O2 | 0.2641 (8) | −0.0974 (7) | 0.2180 (4) | 0.0409 (13) | |
O4 | 0.0370 (9) | 0.1789 (8) | 0.4866 (4) | 0.0546 (16) | |
O1 | 0.5402 (9) | 0.0249 (7) | 0.2331 (4) | 0.0443 (14) | |
O5 | 0.0478 (10) | 0.1446 (10) | 0.6257 (5) | 0.064 (2) | |
N3 | 0.1340 (9) | 0.1372 (8) | 0.5520 (5) | 0.0339 (15) | |
N1 | 0.4378 (8) | 0.2885 (6) | 0.3637 (4) | 0.0278 (13) | |
N2 | 0.1021 (8) | 0.2377 (6) | 0.2836 (4) | 0.0282 (12) | |
C1 | 0.6040 (10) | 0.3077 (9) | 0.4070 (5) | 0.0351 (17) | |
H1 | 0.6739 | 0.2188 | 0.4357 | 0.042* | |
C16 | 0.5298 (18) | −0.2934 (13) | −0.0021 (7) | 0.064 (3) | |
H16 | 0.4584 | −0.3589 | −0.0314 | 0.076* | |
C11 | 0.4407 (11) | −0.0630 (9) | 0.1930 (5) | 0.0328 (17) | |
C14 | 0.8340 (17) | −0.1765 (12) | 0.0162 (8) | 0.067 (3) | |
H14 | 0.9697 | −0.1615 | −0.0009 | 0.081* | |
C10 | −0.0635 (12) | 0.2054 (10) | 0.2451 (5) | 0.0349 (18) | |
H10 | −0.0986 | 0.1017 | 0.2507 | 0.042* | |
C8 | −0.1339 (12) | 0.4738 (10) | 0.1900 (6) | 0.045 (2) | |
H8 | −0.2144 | 0.5531 | 0.1583 | 0.054* | |
C9 | −0.1831 (11) | 0.3195 (10) | 0.1977 (6) | 0.0412 (18) | |
H9 | −0.2966 | 0.2933 | 0.1709 | 0.049* | |
C12 | 0.5419 (13) | −0.1335 (9) | 0.1145 (5) | 0.0360 (18) | |
C15 | 0.7274 (19) | −0.2662 (12) | −0.0304 (7) | 0.067 (3) | |
H15 | 0.7873 | −0.3080 | −0.0802 | 0.080* | |
C3 | 0.5708 (13) | 0.5819 (10) | 0.3691 (7) | 0.050 (2) | |
H3 | 0.6165 | 0.6812 | 0.3708 | 0.060* | |
C2 | 0.6744 (12) | 0.4517 (10) | 0.4106 (6) | 0.0420 (19) | |
H2 | 0.7907 | 0.4609 | 0.4406 | 0.050* | |
C13 | 0.7444 (14) | −0.1082 (10) | 0.0878 (6) | 0.049 (2) | |
H13 | 0.8178 | −0.0458 | 0.1181 | 0.058* | |
C17 | 0.4357 (15) | −0.2243 (11) | 0.0694 (6) | 0.049 (2) | |
H17 | 0.3002 | −0.2400 | 0.0864 | 0.058* | |
C6 | 0.1514 (10) | 0.3891 (7) | 0.2771 (5) | 0.0268 (14) | |
C7 | 0.0347 (11) | 0.5089 (9) | 0.2296 (5) | 0.0395 (18) | |
H7 | 0.0708 | 0.6123 | 0.2246 | 0.047* | |
C5 | 0.3344 (10) | 0.4157 (7) | 0.3236 (5) | 0.0275 (14) | |
C4 | 0.3976 (13) | 0.5674 (9) | 0.3244 (7) | 0.047 (2) | |
H4 | 0.3258 | 0.6557 | 0.2959 | 0.057* |