I07: {6-[(3-methoxyphenyl)methyl]-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-2-yl}(methyl)sulfaniumolate
I07 is a Ligand Of Interest in 8TBT 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 |
8TBT_I07_B_601 | 62% | 3% | 0.165 | 0.957 | 3.82 | 2.43 | 6 | 9 | 0 | 0 | 100% | 0.476 |
8TBT_I07_D_601 | 58% | 3% | 0.182 | 0.961 | 3.8 | 2.29 | 6 | 7 | 0 | 0 | 100% | 0.528 |