Table 5.
Sample | N | R (Å) | σ2 (×103 Å−2) | ΔE0 (eV) | Reduced χ2 | R factor |
---|---|---|---|---|---|---|
WTa | 2N | 1.91(1) | 1(2) | −3.4 | N/A | 0.64c |
2S | 2.160(4) | 0(4) | −3.2 | |||
WTb | 2N | 1.83(4) | 10(4) | −17(3) | 22.8 | 0.11 |
2S | 2.16(2) | 7(1) | ||||
2C | 2.73(4) | |||||
2C | 2.90(5) | 3(5) | ||||
Y9F | 2N | 1.95(2) | 5(2) | −7(2) | 22.2 | 0.06 |
1S | 2.23(2) | 3(1) | ||||
1S | 2.52(3) | 6(4) | ||||
2C | 3.00(4) | 4(4) | ||||
Y62F | 1N | 1.90(3) | 5(4) | −10(2) | 11.2 | 0.04 |
1N | 2.2(2) | |||||
2S | 2.17(3) | 5(2) | ||||
3C | 2.85(3) | |||||
2C | 3.03(4) | 2(2) | ||||
D3A | 3N | 2.08(2) | 2.3(9) | −7(1) | 9.04 | 0.04 |
2S | 2.13(1) | 8(3) | ||||
2C | 2.95(6) | 12(8) | ||||
Y9FY62F | 2N | 2.02(6) | 12(6) | −5(3) | 14.7 | 0.09 |
1S | 2.20(2) | 2(1) | ||||
1S | 2.46(4) | 6(3) | ||||
2C | 3.02(5) | 6(6) |