Re: [ccp4bb] Problems finding the correct Cif file of a crystal structure

2016-11-27 Thread Harry Powell
Hi Cambridge Structural Database (CSD) should have only those small molecule structures that have at least one organic carbon - so it may have copper acetate (but which? There may be several...). For strictly inorganic structures you would need the Inorganic Crystal Structural Database (ICSD).

Re: [ccp4bb] Problems finding the correct Cif file of a crystal structure

2016-11-26 Thread Eleanor Dodson
There is a data bae - cambridge Structural Data Base with most crystal structures coordinates and measure data in it. if your university subscribes you should be able to acess it. Eleanor dodson On 26 November 2016 at 21:00, Bianca Valdes wrote: > Hello! > > I'm currently a PhD student. I'm taki

[ccp4bb] Problems finding the correct Cif file of a crystal structure

2016-11-26 Thread Bianca Valdes
Hello! I'm currently a PhD student. I'm taking a crystallography class and for our final project the professor wants us to compare the theoretical cif file of Copper Acetate with the experimental one we are generating. I found a cif file but is very incomplete, do you guys now where I can find th