Table 1.
Crystallographic Data for L, [HL](Cl), 1, [HL](Br), 2 and [HL]2(SiF6)·6.35(H2O), 3.
| L | 1 | 2 | 3 | |
|---|---|---|---|---|
| Chemical formula | C30H30N10O3 | C30H31ClN10O3 | C30H31BrN10O3 | C60H74·70F6N20O12·35Si |
| M | 578.64 | 615.10 | 659.56 | 1415.79 |
| Crystal system | Triclinic | monoclinic | monoclinic | monoclinic |
| a/Å | 8.7312(11) | 13.2509(18) | 13.2935(19) | 15.4907(14) |
| b/Å | 12.8400(17) | 11.3650(16) | 11.3515(17) | 11.5343(11) |
| c/Å | 13.6820(18) | 19.471(2) | 19.928(3) | 19.4685(17) |
| α/° | 91.989(3) | 90.00 | 90.00 | 90.00 |
| β/° | 107.888(2) | 97.470(8) | 97.895(3) | 96.061(2) |
| γ/° | 100.753(2) | 90.00 | 90.00 | 90.00 |
| V/Å3 | 1427.1(3) | 2907.4(6) | 2978.7(8) | 3459.1(5) |
| T/K | 100(2) | 100(2) | 100(2) | 100(2) |
| Space group | P−1 | P21/n | P21/n | P21/n |
| Z | 2 | 4 | 4 | 2 |
| µ/mm−1 | 0.092 | 0.184 | 1.431 | 0.124 |
| reflns measured | 16034 | 35737 | 28725 | 35178 |
| indept reflns | 7004 | 7232 | 6091 | 8552 |
| Rint | 0.0320 | 0.0721 | 0.1087 | 0.0650 |
| a R1 (I > 2σ(I)) | 0.0495 | 0.0519 | 0.0540 | 0.0600 |
| wR(F2) values (I > 2σ(I)) | 0.1166 | 0.1083 | 0.1037 | 0.1408 |
| b wR2 (all data) | 0.1273 | 0.1202 | 0.1150 | 0.1581 |
| Goodness of fit | 1.003 | 1.010 | 1.012 | 1.003 |
a
R1 = Σ ||Fo| − |Fc|| / Σ |Fo|,
a
wR2 = { Σ [w(Fo2 - Fc2)2] / Σ [w(Fo2)2]}1/2