82N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | N | trip | 1.02Å | 1.02Å | |
C | NI | sing | 1.96Å | 1.96Å | |
NI | S1 | sing | 2.28Å | 2.28Å | |
NI | FE3 | sing | 2.83Å | 2.83Å | |
NI | S4 | sing | 2.19Å | 2.19Å | |
S1 | FE3 | sing | 2.27Å | 2.27Å | |
S1 | FE4 | sing | 2.25Å | 2.25Å | |
FE1 | S2 | sing | 2.28Å | 2.28Å | |
FE1 | S3 | sing | 2.36Å | 2.36Å | |
FE1 | FE3 | sing | 2.57Å | 2.57Å | |
FE1 | S4 | sing | 2.33Å | 2.33Å | |
FE1 | FE4 | sing | 2.65Å | 2.65Å | |
S2 | FE3 | sing | 2.28Å | 2.28Å | |
S2 | FE4 | sing | 2.28Å | 2.28Å | |
S3 | FE4 | sing | 2.26Å | 2.26Å | |
FE3 | S4 | sing | 2.19Å | 2.19Å | |
FE3 | FE4 | sing | 2.65Å | 2.65Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | C | NI | 171.7° | 171.7° |
C | NI | S1 | 174.5° | 174.5° |
C | NI | FE3 | 128.1° | 128.1° |
C | NI | S4 | 79.7° | 79.7° |
S1 | NI | FE3 | 51.5° | 51.5° |
S1 | NI | S4 | 100.8° | 100.8° |
NI | S1 | FE3 | 76.9° | 76.9° |
NI | S1 | FE4 | 105.8° | 105.8° |
FE3 | NI | S4 | 49.7° | 49.7° |
NI | FE3 | S1 | 51.7° | 51.7° |
NI | FE3 | FE1 | 75.2° | 75.2° |
NI | FE3 | S2 | 125.1° | 125.1° |
NI | FE3 | S4 | 49.9° | 49.9° |
NI | FE3 | FE4 | 82.4° | 82.4° |
NI | S4 | FE1 | 93.5° | 93.5° |
NI | S4 | FE3 | 80.4° | 80.4° |
FE3 | S1 | FE4 | 71.8° | 71.8° |
S1 | FE3 | FE1 | 96.4° | 96.4° |
S1 | FE3 | S2 | 107.3° | 107.3° |
S1 | FE3 | S4 | 101.2° | 101.2° |
S1 | FE3 | FE4 | 53.8° | 53.8° |
S1 | FE4 | FE1 | 94.8° | 94.8° |
S1 | FE4 | S2 | 108.3° | 108.3° |
S1 | FE4 | S3 | 109.2° | 109.2° |
S1 | FE4 | FE3 | 54.4° | 54.4° |
S2 | FE1 | S3 | 99.2° | 99.2° |
S2 | FE1 | FE3 | 55.7° | 55.7° |
S2 | FE1 | S4 | 104.5° | 104.5° |
S2 | FE1 | FE4 | 54.4° | 54.4° |
FE1 | S2 | FE3 | 68.5° | 68.5° |
FE1 | S2 | FE4 | 70.9° | 70.9° |
S3 | FE1 | FE3 | 109.3° | 109.3° |
S3 | FE1 | S4 | 123.4° | 123.4° |
S3 | FE1 | FE4 | 53.3° | 53.3° |
FE1 | S3 | FE4 | 70.0° | 70.0° |
FE3 | FE1 | S4 | 52.7° | 52.7° |
FE3 | FE1 | FE4 | 61.1° | 61.1° |
FE1 | FE3 | S2 | 55.7° | 55.7° |
FE1 | FE3 | S4 | 58.1° | 58.1° |
FE1 | FE3 | FE4 | 60.8° | 60.8° |
S4 | FE1 | FE4 | 104.4° | 104.4° |
FE1 | S4 | FE3 | 69.2° | 69.2° |
FE1 | FE4 | S2 | 54.7° | 54.7° |
FE1 | FE4 | S3 | 56.8° | 56.8° |
FE1 | FE4 | FE3 | 58.1° | 58.1° |
FE3 | S2 | FE4 | 71.1° | 71.1° |
S2 | FE3 | S4 | 109.5° | 109.5° |
S2 | FE3 | FE4 | 54.3° | 54.3° |
S2 | FE4 | S3 | 102.4° | 102.4° |
S2 | FE4 | FE3 | 54.6° | 54.6° |
S3 | FE4 | FE3 | 109.8° | 109.8° |
S4 | FE3 | FE4 | 108.7° | 108.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | C | NI | S1 | 135.0° | 135.0° |
N | C | NI | FE3 | 141.4° | 141.4° |
N | C | NI | S4 | 129.3° | 129.3° |
C | NI | S1 | FE3 | 87.9° | 87.9° |
C | NI | S1 | S4 | 94.7° | 94.7° |
C | NI | FE3 | S4 | 15.7° | 15.7° |
C | NI | S1 | FE4 | 154.4° | 154.4° |
C | NI | FE3 | FE1 | 76.2° | 76.2° |
C | NI | S4 | FE1 | 124.2° | 124.2° |
C | NI | FE3 | S2 | 102.3° | 102.3° |
C | NI | FE3 | FE4 | 137.9° | 137.9° |
S1 | NI | FE3 | S4 | 171.3° | 171.3° |
NI | S1 | FE3 | FE4 | 111.8° | 111.8° |
NI | S1 | FE3 | FE1 | 65.4° | 65.4° |
S1 | NI | S4 | FE1 | 61.4° | 61.4° |
NI | S1 | FE4 | FE1 | 25.4° | 25.4° |
NI | S1 | FE3 | S2 | 121.5° | 121.5° |
NI | S1 | FE4 | S2 | 79.8° | 79.8° |
NI | S1 | FE4 | S3 | 31.0° | 31.0° |
NI | FE3 | S2 | FE1 | 31.0° | 31.0° |
NI | FE3 | FE1 | S3 | 66.1° | 66.1° |
NI | FE3 | FE1 | S4 | 51.6° | 51.6° |
NI | FE3 | FE1 | FE4 | 89.5° | 89.5° |
NI | FE3 | S2 | S4 | 54.1° | 54.1° |
NI | FE3 | S2 | FE4 | 45.3° | 45.3° |
NI | FE3 | FE4 | S3 | 52.7° | 52.7° |
NI | FE3 | S4 | FE4 | 62.2° | 62.2° |
S4 | NI | S1 | FE4 | 59.7° | 59.7° |
NI | S4 | FE1 | S2 | 100.2° | 100.2° |
NI | S4 | FE1 | S3 | 11.4° | 11.4° |
NI | S4 | FE1 | FE4 | 43.8° | 43.8° |
S1 | FE3 | S2 | FE1 | 85.9° | 85.9° |
S1 | FE3 | FE1 | S3 | 18.6° | 18.6° |
S1 | FE3 | FE1 | S4 | 99.2° | 99.2° |
S1 | FE3 | FE1 | FE4 | 42.0° | 42.0° |
S1 | FE3 | S2 | S4 | 109.0° | 109.0° |
S1 | FE3 | S2 | FE4 | 9.6° | 9.6° |
S1 | FE3 | FE4 | S3 | 100.0° | 100.0° |
S1 | FE3 | S4 | FE4 | 55.3° | 55.3° |
S1 | FE4 | S2 | FE1 | 82.8° | 82.8° |
S1 | FE4 | S3 | FE1 | 83.0° | 83.0° |
S1 | FE4 | FE1 | S4 | 11.3° | 11.3° |
S1 | FE4 | S2 | S3 | 115.3° | 115.3° |
S2 | FE1 | S3 | FE3 | 56.8° | 56.8° |
S2 | FE1 | S3 | S4 | 114.2° | 114.2° |
S2 | FE1 | S3 | FE4 | 31.1° | 31.1° |
S2 | FE1 | FE3 | S4 | 154.2° | 154.2° |
S2 | FE1 | FE3 | FE4 | 64.6° | 64.6° |
S2 | FE1 | S4 | FE4 | 56.3° | 56.3° |
S3 | FE1 | FE3 | S4 | 117.8° | 117.8° |
S3 | FE1 | FE3 | FE4 | 23.4° | 23.4° |
S3 | FE1 | S4 | FE4 | 55.2° | 55.2° |
FE3 | FE1 | S4 | FE4 | 34.5° | 34.5° |
S2 | FE3 | FE4 | S3 | 91.4° | 91.4° |
S2 | FE3 | S4 | FE4 | 57.8° | 57.8° |
S3 | FE4 | FE3 | S4 | 9.6° | 9.6° |