Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Authors of publication
Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Journal of publication
Journal of Applied Crystallography
Year of publication
2011
Journal volume
44
Journal issue
1
Pages of publication
213 - 215
a
7.7592 ± 0.001 Å
b
9.9677 ± 0.0013 Å
c
18.23 ± 0.002 Å
α
90°
β
90°
γ
90°
Cell volume
1409.9 ± 0.3 Å3
Cell temperature
300 ± 2 K
Ambient diffraction temperature
300 ± 2 K
Number of distinct elements
5
Space group number
19
Hermann-Mauguin space group symbol
P 21 21 21
Hall space group symbol
P 2ac 2ab
Residual factor for all reflections
0.0574
Residual factor for significantly intense reflections
0.0397
Weighted residual factors for significantly intense reflections
0.0917
Weighted residual factors for all reflections included in the refinement
0.1126
Goodness-of-fit parameter for all reflections included in the refinement