ER2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S3 | FE3 | sing | 2.28Å | 2.28Å | |
S3 | FE4 | sing | 2.31Å | 2.31Å | |
S3 | FE2 | sing | 2.30Å | 2.30Å | |
FE3 | S2 | sing | 2.29Å | 2.29Å | |
FE4 | S4 | sing | 2.26Å | 2.26Å | |
FE4 | S1 | sing | 2.32Å | 2.32Å | |
S4 | FE1 | sing | 2.26Å | 2.26Å | |
S1 | FE1 | sing | 2.29Å | 2.29Å | |
S1 | FE2 | sing | 2.30Å | 2.30Å | |
FE1 | S2 | sing | 2.26Å | 2.26Å | |
FE2 | S2 | sing | 2.30Å | 2.30Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FE3 | S3 | FE4 | 108.8° | 108.8° |
FE3 | S3 | FE2 | 71.5° | 71.5° |
S3 | FE3 | S2 | 104.8° | 104.8° |
FE4 | S3 | FE2 | 72.6° | 72.6° |
S3 | FE4 | S4 | 103.2° | 103.2° |
S3 | FE4 | S1 | 104.7° | 104.7° |
S3 | FE2 | S1 | 105.7° | 105.7° |
S3 | FE2 | S2 | 103.7° | 103.7° |
FE3 | S2 | FE1 | 106.2° | 106.2° |
FE3 | S2 | FE2 | 71.3° | 71.3° |
S4 | FE4 | S1 | 105.3° | 105.3° |
FE4 | S4 | FE1 | 72.4° | 72.4° |
FE4 | S1 | FE1 | 70.8° | 70.8° |
FE4 | S1 | FE2 | 72.4° | 72.4° |
S4 | FE1 | S1 | 106.2° | 106.2° |
S4 | FE1 | S2 | 106.3° | 106.3° |
FE1 | S1 | FE2 | 70.0° | 70.0° |
S1 | FE1 | S2 | 107.7° | 107.7° |
S1 | FE2 | S2 | 106.2° | 106.2° |
FE1 | S2 | FE2 | 70.5° | 70.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FE3 | S3 | FE4 | FE2 | 62.7° | 62.7° |
FE3 | S3 | FE4 | S4 | 30.9° | 30.9° |
FE3 | S3 | FE4 | S1 | 79.1° | 79.1° |
FE3 | S3 | FE2 | S1 | 134.0° | 134.0° |
S3 | FE3 | S2 | FE1 | 39.5° | 39.5° |
FE3 | S3 | FE2 | S2 | 22.5° | 22.5° |
FE4 | S3 | FE3 | S2 | 40.7° | 40.7° |
S3 | FE4 | S4 | S1 | 109.5° | 109.5° |
S3 | FE4 | S4 | FE1 | 91.8° | 91.8° |
S3 | FE4 | S1 | FE1 | 90.8° | 90.8° |
FE4 | S3 | FE2 | S1 | 16.6° | 16.6° |
FE4 | S3 | FE2 | S2 | 94.9° | 94.9° |
FE2 | S3 | FE4 | S4 | 93.6° | 93.6° |
S3 | FE2 | S1 | FE1 | 91.9° | 91.9° |
S3 | FE2 | S1 | S2 | 109.7° | 109.7° |
S3 | FE2 | S2 | FE1 | 93.1° | 93.1° |
FE3 | S2 | FE1 | S4 | 32.6° | 32.6° |
FE3 | S2 | FE1 | S1 | 81.0° | 81.0° |
FE3 | S2 | FE2 | S1 | 133.6° | 133.6° |
FE3 | S2 | FE1 | FE2 | 62.8° | 62.8° |
S4 | FE4 | S1 | FE1 | 17.6° | 17.6° |
S4 | FE4 | S1 | FE2 | 92.0° | 92.0° |
FE4 | S4 | FE1 | S2 | 96.6° | 96.6° |
FE4 | S1 | FE1 | FE2 | 77.6° | 77.6° |
FE4 | S1 | FE1 | S2 | 95.9° | 95.9° |
FE4 | S1 | FE2 | S2 | 93.2° | 93.2° |
S4 | FE1 | S1 | S2 | 113.6° | 113.6° |
S4 | FE1 | S1 | FE2 | 95.4° | 95.4° |
S4 | FE1 | S2 | FE2 | 95.4° | 95.4° |
FE1 | S1 | FE2 | S2 | 17.8° | 17.8° |