Hello all. I am trying to draw a crystal/molecular structure using either Mercury or VESTA software. The compound is gold cluster [Au6(PPh3)6](NO3)2. I found the CSD entry (CATPAO) at CCDC website but no 3D coordinates available. This gold cluster is very hard to make and it involves toxic cyanide reagent and the yield is very low. I didn't succeed in synthesizing and thus couldn't obtain the crystal structure or do Rietvield refinement analysis. The only information I get is this:
CATPAO : hexakis(Triphenylphosphine)-hexa-gold dinitrate dichloromethane solvate Space Group: P 21/a (14), Cell: a 25.674(5)Å b 15.843(10)Å c 26.368(4)Å, α 90° β 91.76(2)° γ 90°
Can somebody please help me how to draw the 3D crystal structure with this information only? How about the coordinate, number of atoms and bond lengths?
Many thanks in advance.
Hi Rohul,
To draw the 3D molecular/crystal, you need also to know the atomic positions. On CCDC website you can download cif file and open that file with mercury or vesta.
Enclosed cif file for this molecular crystal.
Hopefully it help
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