Table 1.
Diffraction Data Statistics
| Dataset | BT4673S Tantalum cluster |
BT3049S SeMet |
|---|---|---|
|
Beamline dmin (Å) |
NSLS X4A 2.3 |
APS 24-ID-C 3.3 |
| Space group | P41212 | P212121 |
| Multiplicity | 6.4 | 3.9 |
| Completenessa (%) | 99.9 (100) | 99.6 (97.5) |
| Rmergeb | 11.4 (82.9) | 10.1 (68.1) |
| CC½ (%) | 99.9 (87.5) | 99.8 (76.3) |
| <I/σ(I)> | 15.8 (2.7) | 12.8 (2.3) |
| γ (Å) | 1.2544 | 0.9793 |
a
Values in the outermost shell are given in parentheses.
b
Rmerge = (Σ |Ii − < Ii > |) / Σ |Ii|, where Ii is the integrated intensity of a given reflection.