Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FE1 | FE2 | sing | 0.00Å | 2.70Å | |
FE1 | FE3 | sing | 0.00Å | 2.66Å | |
FE1 | S1 | sing | 0.00Å | 3.89Å | |
FE1 | S2 | sing | 0.00Å | 2.24Å | |
FE1 | S3 | sing | 0.00Å | 2.19Å | |
FE2 | FE3 | sing | 0.00Å | 2.64Å | |
FE2 | S1 | sing | 0.00Å | 2.25Å | |
FE2 | S2 | sing | 0.00Å | 3.84Å | |
FE2 | S4 | sing | 0.00Å | 2.29Å | |
FE3 | S2 | sing | 0.00Å | 2.21Å | |
FE3 | S3 | sing | 0.00Å | 3.78Å | |
FE3 | S4 | sing | 0.00Å | 2.29Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FE2 | FE1 | FE3 | 59.0° | 90.0° |
FE2 | FE1 | S1 | 34.2° | 90.0° |
FE2 | FE1 | S2 | 101.8° | 90.0° |
FE2 | FE1 | S3 | 53.1° | 90.0° |
FE1 | FE2 | FE3 | 59.8° | 90.0° |
FE1 | FE2 | S1 | 103.3° | 90.0° |
FE1 | FE2 | S2 | 34.8° | 90.0° |
FE1 | FE2 | S4 | 53.0° | 90.0° |
FE3 | FE1 | S1 | 33.6° | 90.0° |
FE3 | FE1 | S2 | 52.8° | 90.0° |
FE3 | FE1 | S3 | 102.1° | 90.0° |
FE1 | FE3 | FE2 | 61.2° | 90.0° |
FE1 | FE3 | S2 | 53.7° | 90.0° |
FE1 | FE3 | S3 | 34.4° | 90.0° |
FE1 | FE3 | S4 | 53.5° | 90.0° |
S1 | FE1 | S2 | 67.6° | 90.0° |
S1 | FE1 | S3 | 68.5° | 90.0° |
FE1 | S1 | FE2 | 42.5° | 90.0° |
S2 | FE1 | S3 | 110.6° | 90.0° |
FE1 | S2 | FE2 | 43.5° | 90.0° |
FE1 | S2 | FE3 | 73.5° | 90.0° |
FE1 | S3 | FE3 | 43.5° | 90.0° |
FE3 | FE2 | S1 | 53.6° | 90.0° |
FE3 | FE2 | S2 | 33.9° | 90.0° |
FE3 | FE2 | S4 | 54.8° | 90.0° |
FE2 | FE3 | S2 | 104.4° | 90.0° |
FE2 | FE3 | S3 | 35.3° | 90.0° |
FE2 | FE3 | S4 | 54.7° | 90.0° |
S1 | FE2 | S2 | 68.6° | 90.0° |
S1 | FE2 | S4 | 105.2° | 90.0° |
S2 | FE2 | S4 | 64.9° | 90.0° |
FE2 | S2 | FE3 | 41.7° | 90.0° |
FE2 | S4 | FE3 | 70.5° | 90.0° |
S2 | FE3 | S3 | 69.1° | 90.0° |
S2 | FE3 | S4 | 103.7° | 90.0° |
S3 | FE3 | S4 | 64.7° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FE2 | FE1 | FE3 | S1 | 33.0° | 90.0° |
FE2 | FE1 | FE3 | S2 | 139.1° | 90.0° |
FE2 | FE1 | FE3 | S3 | 32.3° | 90.0° |
FE2 | FE1 | S1 | S2 | 179.7° | 90.0° |
FE2 | FE1 | S1 | S3 | 55.4° | 90.0° |
FE2 | FE1 | S2 | S3 | 54.8° | 90.0° |
FE1 | FE2 | FE3 | S4 | 63.8° | 90.0° |
FE1 | FE2 | S1 | S4 | 54.8° | 90.0° |
FE1 | FE2 | S2 | S4 | 60.6° | 90.0° |
FE3 | FE1 | S1 | S2 | 55.9° | 90.0° |
FE3 | FE1 | S1 | S3 | 179.3° | 90.0° |
FE3 | FE1 | S2 | S3 | 89.7° | 90.0° |
FE1 | FE3 | S2 | S4 | 20.2° | 90.0° |
FE1 | FE3 | S3 | S4 | 61.8° | 90.0° |
S1 | FE1 | S2 | S3 | 54.6° | 90.0° |
S1 | FE1 | FE3 | S4 | 98.6° | 90.0° |
S3 | FE1 | FE2 | S4 | 154.1° | 90.0° |
FE3 | FE2 | S1 | S2 | 35.0° | 90.0° |
FE3 | FE2 | S1 | S4 | 19.6° | 90.0° |
FE3 | FE2 | S2 | S4 | 63.7° | 90.0° |
FE2 | FE3 | S2 | S3 | 0.9° | 90.0° |
FE2 | FE3 | S3 | S4 | 64.0° | 90.0° |
S1 | FE2 | S2 | S4 | 119.6° | 90.0° |
S1 | FE2 | FE3 | S3 | 108.0° | 90.0° |
S2 | FE3 | S3 | S4 | 117.5° | 90.0° |