| x | y | z | Uiso*/Ueq | ||
| Au1 | 0.000000 | 0.000000 | 0.000000 | 0.01689 (5) | |
| Au2 | 0.000000 | 0.500000 | 0.000000 | 0.01495 (5) | |
| Br1 | 0.04670 (2) | 0.500000 | 0.32827 (5) | 0.02509 (8) | |
| N11 | 0.11729 (18) | 0.000000 | −0.0135 (4) | 0.0162 (5) | |
| C12 | 0.1127 (2) | 0.000000 | −0.1827 (4) | 0.0169 (6) | |
| H12 | 0.053400 | 0.000000 | −0.294313 | 0.020* | |
| C13 | 0.1909 (2) | 0.000000 | −0.2013 (4) | 0.0162 (6) | |
| C14 | 0.2766 (2) | 0.000000 | −0.0343 (5) | 0.0172 (6) | |
| H14 | 0.331892 | 0.000000 | −0.040186 | 0.021* | |
| C15 | 0.2820 (2) | 0.000000 | 0.1388 (5) | 0.0192 (6) | |
| H15 | 0.340530 | 0.000000 | 0.252323 | 0.023* | |
| C16 | 0.2012 (2) | 0.000000 | 0.1456 (5) | 0.0185 (6) | |
| H16 | 0.204838 | 0.000000 | 0.265147 | 0.022* | |
| C17 | 0.1818 (2) | 0.000000 | −0.3930 (5) | 0.0236 (7) | |
| H17A | 0.153 (2) | 0.125 (5) | −0.465 (5) | 0.052 (10)* | |
| H17B | 0.243 (3) | 0.000000 | −0.380 (8) | 0.059 (16)* |