| Cu1-O5 | 1.974 (4) | O6-Cu1-O7 | 84.98 |
| Cu1-O7 | 1.973 (4) | O5-Cu1-O7 | 174.99 |
| Cu1-N5 | 2.004 (4) | N5-Cu1-O1 | 93.67 |
| Cu1-O8 | 2.286 (5) | O6-Cu1-O8 | 83.84 |
| Cu1-O1 | 2.406 (5) | O5-Cu1-O8 | 94.05 |
| Cu2-O10 | 1.959 (4) | N5-Cu1-O8 | 91.72 |
| Cu2-O9 | 1.963 (4) | O1-Cu1-O8 | 174.16 |
| Cu2-O11 | 1.965 (4) | O4-Cu2-O12 | 174.68 |
| Cu2-N6 | 1.991 (5) | O10-Cu2-O9 | 89.72 |
| Cu2-O12 | 2.264 (5) | O10-Cu2-O11 | 86.21 |
| Cu2-O4 | 2.517 (1) | O9-Cu2-O11 | 174.56 |
| Cu3-O2 | 2.516 (7) | O9-Cu2-N6 | 91.53 |
| Cu3-O14 | 1.924 (4) | O14-Cu3-O15 | 86.21 |
| Cu3-O15 | 1.935 (4) | O14-Cu3-O13 | 92.62 |
| Cu3-O13 | 1.935 (5) | O15-Cu3-O13 | 161.10 |
| Cu3-O16 | 1.952 (5) | O13-Cu3-O16 | 94.60 |
| Cu3-O3 | 2.464 (5) | O2-Cu3-O3 | 170.17 |
| N1-O1 | 1.280 (6) | N1-O1-Cu1 | 122.07 |
| N2-O2 | 1.265 (6) | N4-O4-Cu2 | 118.02 |
| N3-O3 | 1.258 (6) | N3-O3-Cu3 | 131.06 |
| N4-O4 | 1.279 (6) | N2-O2-Cu3 | 132.32 |
| [Cu(hfac)2]2(NIToPhO3Py)2 2 | |||
| Bond lengths (Å) | Bond angles (˚) | ||
| Cu1-O4 | 1.944 (4) | O4-Cu1-O7 | 171.80 |
| Cu1-O7 | 1.955 (4) | O4-Cu1-O5 | 89.30 |
| Cu1-O5 | 1.974 (4) | O7-Cu1-O5 | 86.29 |
| Cu1-N1 | 2.018 (4) | O4-Cu1-N1 | 90.09 |
| Cu1-O6 | 2.297 (5) | O7-Cu1-N1 | 93.67 |
| Cu1-O2 | 2.666 (3) | O4-Cu1-O6 | 101.21 |
| N2-O2 | 1.281 (6) | O7-Cu1-O6 | 85.43 |
| O3-N3 | 1.277 (6) | O5-Cu1-O6 | 86.52 |
| N2-C13 | 1.327 (7) | O2-Cu1-O6 | 177.02 |
| N2-C14 | 1.513 (7) | O2-Cu1-O5 | 91.20 |
| N3-C13 | 1.338 (7) | O2-Cu1-O4 | 81.23 |
| N3-C15 | 1.501 (9) | O2-Cu1-N1 | 82.97 |