Table 1. Selected Crystal Structure Parameters for All Studied Complexesa.
| compound | Ni-2ab | Ni-2bc (monoclinic, high T) | Ni-2bd (triclinic, low T) | Cu-2a | Cu-2b |
|---|---|---|---|---|---|
| moiety formula | C16H15N3Ni1O3 | C19H15N3Ni1O3 | C19H15N3Ni1O3 | C16H15N3Cu1O3 | C19H15N3Cu1O3 |
| moiety formula mass, Mr (a.u.) | 356.00 | 392.04 | 392.04 | 360.86 | 396.89 |
| crystal system | triclinic | monoclinic | triclinic | triclinic | triclinic |
| space group | P1̅ (no. 2) | P21/c (no. 14) | P1̅ (no. 2) | P1̅ (no. 2) | P1̅ (no. 2) |
| Z | 2 | 4 | 4 | 2 | 2 |
| F000 | 368 | 808 | 808 | 370 | 406 |
| crystal color and shape | orange plate | brown plate | brown plate | brown plate | green plate |
| T (K) | 100 | 290 | 160 | 100 | 100 |
| a (Å) | 7.4023(7) | 14.1406(7) | 14.1083(10) | 8.435(2) | 6.804(2) |
| b (Å) | 8.1523(7) | 6.8044(3) | 6.7505(3) | 9.513(2) | 9.088(2) |
| c (Å) | 13.6139(12) | 17.9675(7) | 17.8681(8) | 10.739(2) | 13.866(3) |
| α (°) | 100.305(7) | 90 | 88.724(3) | 69.07(3) | 75.87(3) |
| β (°) | 101.078(8) | 103.816(4) | 104.156(5) | 69.65(3) | 83.43(3) |
| γ (°) | 102.856(8) | 90 | 94.061(4) | 72.48(3) | 84.76(3) |
| V (Å3) | 764.64(13) | 1678.78(13) | 1645.88(16) | 739.0(3) | 824.2(4) |
| dcalc (g·cm–3) | 1.5462 | 1.5511 | 1.5821 | 1.6216 | 1.5992 |
| R[F] (I > 3σ(I)) | 5.07% | 4.36% | 11.73% | 3.33% | 5.46% |
| R[F] (all data) | 8.09% | 6.54% | 17.23% | 3.60% | 6.43% |
| ϱresmin/max (e·Å–3) | –0.47/+0.65 | –0.53/+0.42 | –1.15/+3.36 | –0.38/+0.48 | –0.78/+0.98 |
| CCDC code | 2110815 | 2110827 | 2110828 | 2110808 | 2110809 |
a
For more details, see the Supporting Information.
b
From the Ni-2a-100 K-dark-cooling-xtal-1 data set.
c
From the Ni-2b-RT-dark-xtal-2 data set.
d
From the Ni-2b-160 K-dark-xtal-2 data set.