Table 1.
Volumes (Å3) of Miscellaneous Moleculesa
| V (Å3) | CSD refcode | ||
|---|---|---|---|
| C8H8 | (Oh cubane) | 3.73b | CUBANE |
| C20H20 | (Ih dodecahedrane) | 28.21c | DOPSIK01 |
| C60 | (buckerminsterfullerene) | 162.4d | d |
| [B10H10]2− | (D4d bicapped square antiprism) | 8.30e | WIYVEF |
| [B12H12]2− | (Ih icosahedron) | 12.37f | ETADCB |
| V(M4) | V(Q4) | V(M4Q4) | (Å3) | |
|---|---|---|---|---|
| [Co4S4(PiPr3)4] | 2.08 | 5.26 | 8.50 | LUGJAZ |
| [Fe4S4(StBu)4]2− | 2.43 | 5.59 | 9.62 | KEYWAM |
| [Cp4Fe4S4] | 3.27 | 3.07 | 10.16 | CPEFES01 |
| [Al4S4(CMe2Et)4] | 3.32 | 4.93 | 11.36 | REKYIP |
| [[Al4Se4(CMe2Et)4] | 3.73 | 6.14 | 13.22 | REKYOV |
| [Ga4Se4(CMe2Et)4] | 3.83 | 6.21 | 13.50 | REKZAI |
| [Ga4Te4(CMe2Et)4] | 4.73 | 8.10 | 16.99 | REKZEM |
| [Tl4(OCH2CMe3)4] | 6.25 | 3.78 | 15.85 | MILBAK |
Volume formulae are available in ref. 27 except for that of the C60 truncated icosahedron, which is derived in Supporting Information.
Edge length a = 1.551 Å.
Ih dodecahedron: V = (1/ 4)[15 + 7√5]a3, a = 1.540 Å.
Ih truncated icosahedron: V = (5/ 12)(3 + √5)(2a + b)3 - (1/ 2)(5 + √5)a3, a = 1.455 Å (intrapentagon), b = 1.391 (interpentagon); David, W. I. F.; Ibberson, R. M.; Mathewman, J. C.; Prassides, K.; Dennis. T. J. S.; Hare, J. P.; Kroto, H. W.; Taylor, R.; Walton, D. R. M. Nature 1991, 353, 147-149.
D4d uniform square antiprism: V = (1/ 3)[4 + 3√2]½a3; a = 1.828 Å. Square pyramid: V= (1/ 3)a2(e2 - a2/ 2)½, a = 1.828 Å (basal edge), e = 1.697 Å (lateral edge).
Ih icosahedron: V = (5/ 12)(3 + √5)a3, a = 1.783 Å.