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
10.2699 ± 0.001 Å
b
11.1605 ± 0.001 Å
c
11.1911 ± 0.0012 Å
α
85.945 ± 0.003°
β
67.75 ± 0.003°
γ
70.671 ± 0.003°
Cell volume
1118.07 ± 0.19 Å3
Cell temperature
300 ± 2 K
Ambient diffraction temperature
300 ± 2 K
Number of distinct elements
6
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0568
Residual factor for significantly intense reflections
0.039
Weighted residual factors for significantly intense reflections
0.0941
Weighted residual factors for all reflections included in the refinement
0.1104
Goodness-of-fit parameter for all reflections included in the refinement
