8S3B


A1H40: 3-(1~{H}-1,2,3,4-tetrazol-5-yl)benzoic acid

A1H40 is a Ligand Of Interest in 8S3B designated by the Author
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Best-fitted instance in this entry
Other instances in this entry
IdentifierRanking for goodness of fit Ranking for geometry Real space R factor Real space correlation coefficient RMSZ-bond-length RMSZ-bond-angleOutliers of bond length Outliers of bond angle Atomic clashesStereochemical errorsModel completenessAverage occupancy
8S3B_A1H40_D_602 27% 9% 0.152 0.7971.49 2.92 3 900100%0.7
8S3B_A1H40_C_501 18% 15% 0.198 0.7841.29 2.49 2 700100%0.7
8S3B_A1H40_B_501 16% 23% 0.2 0.7651.44 1.75 3 510100%0.7
8S3B_A1H40_A_601 13% 9% 0.203 0.7451.4 3.09 3 1100100%0.7
8S3B_A1H40_H_501 11% 17% 0.218 0.741.39 2.19 3 900100%0.7
8S3B_A1H40_K_501 11% 18% 0.191 0.7081.33 2.18 3 900100%0.7