Na2Ca3Al2F14 Sample:Sodium calcium aluminium fluoride, Na2Ca3Al2F14
Approach:A series of 600 diffraction patterns was collected spanning a rotation angular range of 120°, with an exposure time of 0.1 second per frame.
Challenge:Keep the sample in the beam as accurate as possible through a sphere of confusion << 1 µm to obtain accurate unit-cell parameters and orientation matrix
Solution:The data processing via state-of-the-art crystallographic software allowed to reconstruct the 3D diffraction pattern. The pattern could be indexed with a cubic unit cell and space group I213. The observed lattice parameters a=b=c deviate by only 0.36% with respect to the value of 10.257(1) Å reported in literature for the same material characterised with X-ray diffraction, indicating good accuracy on the geometrical parameters.
Goal: Confirm ability to measure organic compounds
Approach: A single crystal was measured in continuous rotation mode for a total measurement time of 100 sec over 100° rotation – all at room temperature
Challenge: Confirm that the ED-1 can measure fast enough to even keep sensitive organic samples alive, yet enabling ab-initio structure solution.
Solution: An ED data set was successfully collected at room temperature on a nanocrystal of approximately 660 × 350 nm2. The data set obtained was integrated to a resolution of 0.8 Å. The structure was solved with direct methods in the monoclinic space group P21/n with a = 7.0603(9) Å, b = 9.496(2) Å, c = 11.648(2) Å; β = 96.86(1) °.
Goal: To benchmark the performance of the ED-1
About: Sold as Skelaxin, it is a muscle relaxant, but its exact mechanism of action is still not known. Metaxalone exhibits various polymorphic forms with substantial effects on e.g. solubility and bioavailability: A-rac (triclinic, P-1), B-rac (monoclinic, P21/c and C-rac. Finally, A-R/S, is a conglomerate of the enantiomorphic forms A-S and A-R (orthorhombic, P212121). The latter however could be obtained as nanometer-sized needles only and thus required electron diffraction for accurate structure elucidation.
Approach: A single crystal was measured in continuous rotation mode for a total measurement time of 62.5s over 125° rotation – all at room temperature