H2I: ~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide
H2I is a Ligand Of Interest in 8PUP designated by the Author
| Best-fitted instance in this entry |
| Other instances in this entry |
Identifier | Ranking for goodness of fit | Ranking for geometry | Real space R factor | Real space correlation coefficient | RMSZ-bond-length | RMSZ-bond-angle | Outliers of bond length | Outliers of bond angle | Atomic clashes | Stereochemical errors | Model completeness | Average occupancy |
8PUP_H2I_A_208 | 67% | 39% | 0.099 | 0.905 | 0.66 | 1.7 | 1 | 10 | 0 | 0 | 100% | 1 |