DOI: 10.14469/hpc/8969 Metadata

Created: 2021-09-08 17:33

Last modified: 2021-09-09 11:54

Author: Andreas Phanopoulos

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Compiled file containing optimised coordinates for all computationally calculated structures.

Files

Filename	Size	Type	Description
full-coords.xyz	131KB	chemical/x-xyz	Compiled structure coordinates

Member of collection / collaboration

DOI	Description
10.14469/hpc/8794	Group 10 Heterometallic Hydride Complexes: An Experimental and Theoretical Framework for the Hexagonal Planar Geometry

Subject Keywords

Keyword	Value
inchi	InChI=1S/C29H41N2.C26H48P2.Mg.Pd.H/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h11-21H,1-10H3;23-26H,1-22H2;;;/q-1;;+1;-2;/p+2/b22-17-,31-23+;;;;
inchikey	KQQSIJFUPDEYDM-ISTOKIOSSA-P

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