NF0: butyl 3,4,5-tris(oxidanyl)benzoate
NF0 is a Ligand Of Interest in 8I09 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 |
8I09_NF0_F_501 | 34% | 34% | 0.144 | 0.826 | 1.32 | 1.27 | 1 | 2 | 1 | 0 | 100% | 1 |
8I09_NF0_E_503 | 25% | 39% | 0.145 | 0.78 | 1.29 | 1.08 | 1 | 2 | 0 | 0 | 100% | 1 |
8I09_NF0_G_402 | 25% | 29% | 0.154 | 0.789 | 1.42 | 1.41 | 1 | 3 | 0 | 0 | 100% | 1 |
8I09_NF0_A_403 | 23% | 23% | 0.136 | 0.754 | 1.41 | 1.74 | 2 | 3 | 0 | 0 | 100% | 1 |
8I09_NF0_J_403 | 22% | 29% | 0.128 | 0.742 | 1.35 | 1.49 | 2 | 2 | 0 | 0 | 100% | 1 |
8I09_NF0_L_502 | 20% | 24% | 0.144 | 0.741 | 1.37 | 1.74 | 1 | 3 | 0 | 0 | 100% | 1 |
8I09_NF0_C_501 | 18% | 32% | 0.143 | 0.728 | 1.38 | 1.33 | 1 | 2 | 0 | 0 | 100% | 1 |
8I09_NF0_I_501 | 14% | 26% | 0.175 | 0.722 | 1.47 | 1.51 | 2 | 3 | 0 | 0 | 100% | 1 |
8I09_NF0_L_501 | 11% | 16% | 0.139 | 0.648 | 1.47 | 2.19 | 3 | 6 | 0 | 0 | 100% | 1 |
8I09_NF0_B_402 | 10% | 19% | 0.141 | 0.637 | 1.33 | 2.08 | 1 | 4 | 0 | 0 | 100% | 1 |
8I09_NF0_E_501 | 7% | 21% | 0.156 | 0.603 | 1.36 | 1.95 | 2 | 4 | 0 | 0 | 100% | 1 |
8I09_NF0_H_501 | 6% | 17% | 0.177 | 0.603 | 1.46 | 2.17 | 2 | 5 | 0 | 0 | 100% | 1 |