Coordinates file for DFT calculated structures
DOI: 10.14469/hpc/7381 Metadata
Created: 2020-09-03 17:19
Last modified: 2020-09-06 09:02
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Coordinate (.xyz) file for the DFT calculated structures of compounds: 3a-c, 4, A, S5-S8
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| coordinates.xyz | 39KB | chemical/x-xyz |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/7344 | Side-on coordination of boryl ligands to coinage-metals |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C27H36N2.C20H33BN.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-13(2)15-10-9-11-16(14(3)4)17(15)22-18(21)19(5,6)12-20(22,7)8;/h9-16,18-21H,1-8H3;9-11,13-14H,12,21H2,1-8H3; |
| inchikey | XFLIKLKQWJQLGM-UHFFFAOYSA-N |