Table 3.
Selected Bond Distances, Angles and Core Volumes.
| compoundsa | Fe-Q bond distancesb (Å) | Fe-Q-Fe anglesb (°) | ||
|---|---|---|---|---|
| Q = S | Q = Se | Q = S | Q = Se | |
| 3 | 2.267(3), 2.299(3)c, 2.299(3)c | ----- | 72.75(9)c, 72.75(9)c, 71.3(1) | ----- |
| 4a | 2.234(3), 2.255(3), 2.264(4) | ----- | 71.4(1), 71.4(1), 71.62(10) | ----- |
| 4b | ----- | 2.339(2), 2.382(2), 2.418(3) | ----- | 68.25(7), 70.60(7), 70.77(7) |
| 6 | 2.249(7), 2.235(6), 2.322(7) | ----- | 73.8(2), 71.7(2), 71.0(2) | ----- |
| 7b | ----- | 2.349(3), 2.413(3), 2.424(3) | ----- | 67.43(8), 69.81 (8), 70.46(8) |
| 8a | 2.264(2), 2.303(2), 2.331(2) | ----- | 69.12(5), 71.70(5), 73.11(6) | ----- |
| 8b | ----- | 2.388(2), 2.389(2), 2.412(2) | ----- | 66.90(4), 68.88(5), 70.12(5) |
| 9a | 2.270(3), 2.328(2), 2.336(3) | ----- | 69.98(8), 71.99(8), 72.55(8) | ----- |
| 9b | ----- | 2.367(2), 2.425(2), 2.434(2) | ----- | 67.05(5), 69.40(5), 69.90(5) |
| 10a | 2.236(2), 2.287(3), 2.315(3) | ----- | 70.99(8), 73.21(8), 73.75(8) | ----- |
| 10b | ----- | 2.326(2), 2.400(2), 2.410 (2) | ----- | 67.64(5), 70.03(5), 70.06 (5) |
| 11a | 2.220(1), 2.292(1), 2.306(1) | ----- | 70.97(3), 73.24(3), 74.11(3) | ----- |
| core volumes (Å3) | ||||
| MFe3 | Q4 | MFe3Q4 | ||
| 9a | 2.34 | 5.72 | 9.46 | |
| 9b | 2.36 | 5.94 | 9.64 | |
| 10a | 2.33 | 5.57 | 9.35 | |
| 10b | 2.33 | 5.83 | 9.49 | |
a
M = Mo except 7b and 11a (M = W);
b
See Figure 1 for position of Q in clusters;
c
Equal by symmetry element.