Table 1. Crystallographic data for Δ-2, Λ-2 and rac-3.
| Δ-2 | Λ-2 | rac-3 | |
| T/K | 120 | 120 | 120 |
| Empirical formula a | C92H118As4Co3N16O24 | C92H118As4Co3N16O24 | C56H48As2Co3N16O12 |
| fw | 2308.49 | 2308.49 | 1463.73 |
| Space group | P4212 (#90) | P4212 (#90) | C2/c (#15) |
| a/Å | 20.6481(10) | 20.6668(10) | 17.794(4) |
| b/Å | 20.6481(10) | 20.6668(10) | 19.121(4) |
| c/Å | 16.8896(9) | 16.8568(9) | 19.042(4) |
| β/° | 90 | 90 | 116.941(15) |
| V/Å3 | 7200.8(8) | 7199.8(8) | 5776(2) |
| Z | 2 | 2 | 4 |
| d (calc., g cm–3) | 1.065 | 1.065 | 1.683 |
| μ (mm–1) | 1.309 | 1.309 | 2.067 |
| R indices (all data) | R 1 b = 0.0223, wR2 c = 0.0512 | R 1 b = 0.0353, wR2 c = 0.0784 | R 1 b = 0.0324, wR2 c = 0.0693 |
| GooF on F2 | 1.070 | 1.052 | 1.061 |
| Flack parameter | –0.008(2) | –0.002(2) | — |
aSolvent molecules of crystallization are not included in the empirical formula.
b R 1 = Σ||Fo| – |Fc||/Σ|Fo|.
cwR2 = [Σ[w(Fo2 – Fc2)2]/Σ[w(Fo2)2]]1/2, w = 1/σ2(Fo2) + (aP)2 + bP, where P = [max(0 or Fo2) + 2(Fc2)]/3.