CUV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S1 | FE3 | sing | 0.00Å | 2.33Å | |
S1 | FE4 | sing | 0.00Å | 2.35Å | |
S2 | FE1 | sing | 0.00Å | 2.34Å | |
S2 | FE3 | sing | 0.00Å | 2.33Å | |
S2 | FE4 | sing | 0.00Å | 2.30Å | |
S3 | FE2 | sing | 0.00Å | 2.33Å | |
S3 | FE4 | sing | 0.00Å | 2.30Å | |
S4 | FE1 | sing | 0.00Å | 2.36Å | |
S4 | FE3 | sing | 0.00Å | 2.26Å | |
FE2 | NI | sing | 0.00Å | 3.04Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FE3 | S1 | FE4 | 71.8° | 90.0° |
S1 | FE3 | S2 | 107.5° | 90.0° |
S1 | FE3 | S4 | 113.6° | 90.0° |
S1 | FE4 | S2 | 108.0° | 90.0° |
S1 | FE4 | S3 | 109.4° | 90.0° |
FE1 | S2 | FE3 | 70.1° | 90.0° |
FE1 | S2 | FE4 | 100.2° | 90.0° |
S2 | FE1 | S4 | 106.1° | 90.0° |
FE3 | S2 | FE4 | 72.7° | 90.0° |
S2 | FE3 | S4 | 109.6° | 90.0° |
S2 | FE4 | S3 | 123.4° | 90.0° |
FE2 | S3 | FE4 | 90.3° | 90.0° |
S3 | FE2 | NI | 134.4° | 90.0° |
FE1 | S4 | FE3 | 71.0° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S1 | FE3 | S2 | FE1 | 109.7° | 90.0° |
S1 | FE3 | S2 | S4 | 123.9° | 90.0° |
FE3 | S1 | FE4 | S2 | 1.6° | 90.0° |
FE3 | S1 | FE4 | S3 | 135.1° | 90.0° |
S1 | FE3 | S4 | FE1 | 106.2° | 90.0° |
S1 | FE4 | S2 | FE1 | 66.9° | 90.0° |
S1 | FE4 | S2 | S3 | 129.2° | 90.0° |
S1 | FE4 | S3 | FE2 | 93.2° | 90.0° |
FE4 | S1 | FE3 | S4 | 119.8° | 90.0° |
FE1 | S2 | FE3 | FE4 | 108.0° | 90.0° |
FE1 | S2 | FE4 | S3 | 62.3° | 90.0° |
FE1 | S2 | FE3 | S4 | 14.2° | 90.0° |
FE3 | S2 | FE4 | S3 | 127.6° | 90.0° |
S2 | FE4 | S3 | FE2 | 35.4° | 90.0° |
FE4 | S2 | FE1 | S4 | 80.6° | 90.0° |
FE4 | S2 | FE3 | S4 | 122.2° | 90.0° |
FE4 | S3 | FE2 | NI | 77.5° | 90.0° |