Table 1. Summary of Crystal Data and Refinement Results of [Ca(HF)2](AuF6)2, Ba[Ba(HF)]6(AuF6)14, [Sr(HF)](H3F4)(AuF6), [Ba(HF)]4(AuF4)(AuF6)7, M(BF4)(AuF6) (M = Sr, Ba), [Ca(HF)](BF4)2, and [O2]2[Sr(HF)]5[AuF6]12·HF Compounds.
| chem. formula | [Ca(HF)2]–(AuF6)2 | Ba[Ba(HF)]6–(AuF6)14 | [Sr(HF)]–(H3F4)(AuF6) | [Ba(HF)]4–(AuF4)(AuF6) | [Ca(HF)]–(BF4)2 |
|---|---|---|---|---|---|
| crystal system | triclinic | rhombohedral | monoclinic | tetragonal | triclinic |
| space group | P1̅ | R3̅ | P21/m | I41/a | P1̅ |
| a (Å) | 5.6598(3) | 19.8309(6) | 5.8708(2) | 11.1380(3) | 5.1827(4) |
| b (Å) | 8.8838(7) | 19.8309(6) | 8.1261(3) | 11.1380(3) | 6.5414(6) |
| c (Å) | 10.1017(5) | 14.2361(4) | 8.6531(3) | 32.0799(11) | 9.7870(7) |
| α (deg) | 93.884(5) | 90 | 90 | 90 | 108.679(7) |
| β (deg) | 91.773(4) | 90 | 92.399(4) | 90 | 91.057(6) |
| γ (deg) | 97.742(5) | 120 | 90 | 90 | 93.386(7) |
| V (Å3) | 501.72(5) | 4848.5(3) | 412.45(3) | 3979.7(3) | 313.53(5) |
| Z | 2 | 3 | 2 | 4 | 2 |
| T (K) | 150 | 150 | 150 | 150 | 150 |
| R1a | 0.0398 | 0.0410 | 0.0225 | 0.0263 | 0.0535 |
| wR2b | 0.1051 | 0.1204 | 0.0539 | 0.0601 | 0.1404 |
| chem. formula | α-Sr(BF4)–(AuF6) | β-Sr(BF4)–(AuF6) | Ba(BF4)–(AuF6)c | [O2]2[Sr(HF)]5–[AuF6]12·HF |
|---|---|---|---|---|
| crystal system | monoclinic | orthorhombic | orthorhombic | monoclinic |
| space group | P21/c | Pnma | Pnma | P21/n |
| a (Å) | 6.1193(3) | 10.2969(5) | 10.4846(3) | 21.8471(10) |
| b (Å) | 11.4512(6) | 6.1506(4) | 6.4416(2) | 10.5392(4) |
| c (Å) | 10.2122(5) | 11.4529(6) | 11.7209(4) | 27.0291(12) |
| α (deg) | 90 | 90 | 90 | 90 |
| β (deg) | 90.106(4) | 90 | 90 | 104.565(5) |
| γ (deg) | 90 | 90 | 90 | 90 |
| V (Å3) | 715.60(6) | 725.34(7) | 791.60(4) | 6023.5(5) |
| Z | 1 | 4 | 4 | 4 |
| T (K) | 150 | 293 | 150 | 150 |
| R1a | 0.0245 | 0.0298 | 0.0275 | 0.0409 |
| wR2b | 0.0470 | 0.0731 | 0.0646 | 0.0911 |
a
R1 = Σ∥Fo| – |Fc∥/Σ|Fo| for I > 2σ(I).
b
wR2 = [Σ[w(Fo2 – Fc2)2]/Σw(Fo2)2]1/2.
c
The crystal structures determined at 80 and 296 K are the same as at 150 K.