CLF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FE1 | S1 | sing | 2.40Å | 2.40Å | |
FE1 | S2A | sing | 2.32Å | 2.32Å | |
FE1 | S3A | sing | 2.27Å | 2.27Å | |
FE2 | S1 | sing | 2.49Å | 2.49Å | |
FE2 | S2A | sing | 2.30Å | 2.30Å | |
FE2 | S4A | sing | 2.27Å | 2.27Å | |
FE3 | S2A | sing | 2.32Å | 2.32Å | |
FE3 | S4A | sing | 2.29Å | 2.29Å | |
FE3 | S3A | sing | 2.38Å | 2.38Å | |
FE4 | S1 | sing | 2.39Å | 2.39Å | |
FE4 | S4A | sing | 2.27Å | 2.27Å | |
FE4 | S3A | sing | 2.24Å | 2.24Å | |
S1 | FE5 | sing | 2.43Å | 2.43Å | |
S1 | FE6 | sing | 2.50Å | 2.50Å | |
S1 | FE8 | sing | 2.48Å | 2.48Å | |
FE5 | S2B | sing | 2.32Å | 2.32Å | |
FE5 | S4B | sing | 2.25Å | 2.25Å | |
FE6 | S2B | sing | 2.32Å | 2.32Å | |
FE6 | S3B | sing | 2.36Å | 2.36Å | |
FE7 | S2B | sing | 2.36Å | 2.36Å | |
FE7 | S3B | sing | 2.33Å | 2.33Å | |
FE7 | S4B | sing | 2.38Å | 2.38Å | |
FE8 | S3B | sing | 2.39Å | 2.39Å | |
FE8 | S4B | sing | 2.23Å | 2.23Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S1 | FE1 | S2A | 115.8° | 115.8° |
S1 | FE1 | S3A | 107.2° | 107.2° |
FE1 | S1 | FE2 | 61.2° | 61.2° |
FE1 | S1 | FE4 | 63.5° | 63.5° |
FE1 | S1 | FE5 | 137.7° | 137.7° |
FE1 | S1 | FE6 | 157.7° | 157.7° |
FE1 | S1 | FE8 | 130.3° | 130.3° |
S2A | FE1 | S3A | 104.3° | 104.3° |
FE1 | S2A | FE2 | 65.4° | 65.4° |
FE1 | S2A | FE3 | 73.9° | 73.9° |
FE1 | S3A | FE3 | 73.7° | 73.7° |
FE1 | S3A | FE4 | 68.1° | 68.1° |
S1 | FE2 | S2A | 113.0° | 113.0° |
S1 | FE2 | S4A | 107.3° | 107.3° |
FE2 | S1 | FE4 | 63.3° | 63.3° |
FE2 | S1 | FE5 | 98.4° | 98.4° |
FE2 | S1 | FE6 | 134.4° | 134.4° |
FE2 | S1 | FE8 | 71.7° | 71.7° |
S2A | FE2 | S4A | 103.6° | 103.6° |
FE2 | S2A | FE3 | 73.1° | 73.1° |
FE2 | S4A | FE3 | 74.3° | 74.3° |
FE2 | S4A | FE4 | 68.6° | 68.6° |
S2A | FE3 | S4A | 102.5° | 102.5° |
S2A | FE3 | S3A | 100.7° | 100.7° |
S4A | FE3 | S3A | 104.7° | 104.7° |
FE3 | S4A | FE4 | 71.6° | 71.6° |
FE3 | S3A | FE4 | 70.5° | 70.5° |
S1 | FE4 | S4A | 110.8° | 110.8° |
S1 | FE4 | S3A | 108.7° | 108.7° |
FE4 | S1 | FE5 | 74.3° | 74.3° |
FE4 | S1 | FE6 | 134.4° | 134.4° |
FE4 | S1 | FE8 | 108.9° | 108.9° |
S4A | FE4 | S3A | 110.0° | 110.0° |
FE5 | S1 | FE6 | 62.5° | 62.5° |
FE5 | S1 | FE8 | 61.2° | 61.2° |
S1 | FE5 | S2B | 113.0° | 113.0° |
S1 | FE5 | S4B | 111.0° | 111.0° |
FE6 | S1 | FE8 | 62.8° | 62.8° |
S1 | FE6 | S2B | 110.3° | 110.3° |
S1 | FE6 | S3B | 111.3° | 111.3° |
S1 | FE8 | S3B | 111.0° | 111.0° |
S1 | FE8 | S4B | 109.7° | 109.7° |
S2B | FE5 | S4B | 105.1° | 105.1° |
FE5 | S2B | FE6 | 67.1° | 67.1° |
FE5 | S2B | FE7 | 74.0° | 74.0° |
FE5 | S4B | FE7 | 74.9° | 74.9° |
FE5 | S4B | FE8 | 67.8° | 67.8° |
S2B | FE6 | S3B | 102.4° | 102.4° |
FE6 | S2B | FE7 | 74.9° | 74.9° |
FE6 | S3B | FE7 | 74.6° | 74.6° |
FE6 | S3B | FE8 | 66.4° | 66.4° |
S2B | FE7 | S3B | 101.7° | 101.7° |
S2B | FE7 | S4B | 100.0° | 100.0° |
S3B | FE7 | S4B | 104.7° | 104.7° |
FE7 | S3B | FE8 | 70.8° | 70.8° |
FE7 | S4B | FE8 | 72.8° | 72.8° |
S3B | FE8 | S4B | 107.7° | 107.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S1 | FE1 | S2A | S3A | 117.6° | 117.6° |
FE1 | S1 | FE2 | FE4 | 73.0° | 73.0° |
FE1 | S1 | FE2 | FE5 | 140.5° | 140.5° |
FE1 | S1 | FE2 | FE6 | 160.0° | 160.0° |
FE1 | S1 | FE2 | FE8 | 163.7° | 163.7° |
S1 | FE1 | S2A | FE2 | 17.7° | 17.7° |
FE1 | S1 | FE2 | S4A | 96.9° | 96.9° |
S1 | FE1 | S2A | FE3 | 96.2° | 96.2° |
S1 | FE1 | S3A | FE3 | 102.4° | 102.4° |
FE1 | S1 | FE4 | FE5 | 177.6° | 177.6° |
FE1 | S1 | FE4 | FE6 | 163.5° | 163.5° |
FE1 | S1 | FE4 | FE8 | 126.4° | 126.4° |
FE1 | S1 | FE4 | S4A | 93.9° | 93.9° |
S1 | FE1 | S3A | FE4 | 27.3° | 27.3° |
FE1 | S1 | FE5 | FE6 | 168.1° | 168.1° |
FE1 | S1 | FE5 | FE8 | 119.5° | 119.5° |
FE1 | S1 | FE6 | FE8 | 131.6° | 131.6° |
FE1 | S1 | FE5 | S2B | 147.3° | 147.3° |
FE1 | S1 | FE5 | S4B | 95.0° | 95.0° |
FE1 | S1 | FE6 | S2B | 138.1° | 138.1° |
FE1 | S1 | FE6 | S3B | 109.0° | 109.0° |
FE1 | S1 | FE8 | S3B | 135.8° | 135.8° |
FE1 | S1 | FE8 | S4B | 105.2° | 105.2° |
FE1 | S2A | FE2 | FE3 | 79.7° | 79.7° |
FE1 | S2A | FE2 | S4A | 99.1° | 99.1° |
FE1 | S2A | FE3 | S4A | 87.8° | 87.8° |
S2A | FE1 | S3A | FE3 | 20.9° | 20.9° |
S2A | FE1 | S1 | FE4 | 89.5° | 89.5° |
S2A | FE1 | S3A | FE4 | 96.0° | 96.0° |
S2A | FE1 | S1 | FE5 | 86.1° | 86.1° |
S2A | FE1 | S1 | FE6 | 122.9° | 122.9° |
S2A | FE1 | S1 | FE8 | 3.5° | 3.5° |
S3A | FE1 | S1 | FE2 | 99.0° | 99.0° |
S3A | FE1 | S2A | FE2 | 99.8° | 99.8° |
FE1 | S3A | FE3 | S4A | 85.6° | 85.6° |
FE1 | S3A | FE3 | FE4 | 72.0° | 72.0° |
FE1 | S3A | FE4 | S4A | 93.8° | 93.8° |
S3A | FE1 | S1 | FE5 | 29.8° | 29.8° |
S3A | FE1 | S1 | FE6 | 121.2° | 121.2° |
S3A | FE1 | S1 | FE8 | 119.4° | 119.4° |
S1 | FE2 | S2A | S4A | 115.8° | 115.8° |
S1 | FE2 | S2A | FE3 | 96.4° | 96.4° |
S1 | FE2 | S4A | FE3 | 100.1° | 100.1° |
FE2 | S1 | FE4 | FE5 | 108.2° | 108.2° |
FE2 | S1 | FE4 | FE6 | 127.0° | 127.0° |
FE2 | S1 | FE4 | FE8 | 56.9° | 56.9° |
S1 | FE2 | S4A | FE4 | 24.2° | 24.2° |
FE2 | S1 | FE4 | S3A | 96.5° | 96.5° |
FE2 | S1 | FE5 | FE6 | 136.0° | 136.0° |
FE2 | S1 | FE5 | FE8 | 63.6° | 63.6° |
FE2 | S1 | FE6 | FE8 | 3.9° | 3.9° |
FE2 | S1 | FE5 | S2B | 156.8° | 156.8° |
FE2 | S1 | FE5 | S4B | 39.1° | 39.1° |
FE2 | S1 | FE6 | S2B | 94.2° | 94.2° |
FE2 | S1 | FE6 | S3B | 18.8° | 18.8° |
FE2 | S1 | FE8 | S3B | 154.7° | 154.7° |
FE2 | S1 | FE8 | S4B | 86.4° | 86.4° |
S2A | FE2 | S4A | FE3 | 19.6° | 19.6° |
FE2 | S2A | FE3 | S3A | 88.6° | 88.6° |
S2A | FE2 | S1 | FE4 | 89.6° | 89.6° |
S2A | FE2 | S4A | FE4 | 95.6° | 95.6° |
S2A | FE2 | S1 | FE5 | 157.2° | 157.2° |
S2A | FE2 | S1 | FE6 | 143.3° | 143.3° |
S2A | FE2 | S1 | FE8 | 147.0° | 147.0° |
FE2 | S4A | FE3 | FE4 | 72.2° | 72.2° |
FE2 | S4A | FE3 | S3A | 85.4° | 85.4° |
FE2 | S4A | FE4 | S3A | 94.4° | 94.4° |
S4A | FE2 | S1 | FE5 | 43.7° | 43.7° |
S4A | FE2 | S1 | FE6 | 103.1° | 103.1° |
S4A | FE2 | S1 | FE8 | 99.4° | 99.4° |
S2A | FE3 | S4A | S3A | 104.7° | 104.7° |
S2A | FE3 | S4A | FE4 | 91.5° | 91.5° |
S2A | FE3 | S3A | FE4 | 92.5° | 92.5° |
FE3 | S4A | FE4 | S1 | 105.7° | 105.7° |
S4A | FE3 | S3A | FE4 | 13.6° | 13.6° |
FE3 | S3A | FE4 | S1 | 107.4° | 107.4° |
S1 | FE4 | S4A | S3A | 120.2° | 120.2° |
FE4 | S1 | FE5 | FE6 | 164.9° | 164.9° |
FE4 | S1 | FE5 | FE8 | 122.7° | 122.7° |
FE4 | S1 | FE6 | FE8 | 90.4° | 90.4° |
FE4 | S1 | FE5 | S2B | 144.1° | 144.1° |
FE4 | S1 | FE5 | S4B | 98.2° | 98.2° |
FE4 | S1 | FE6 | S2B | 0.2° | 0.2° |
FE4 | S1 | FE6 | S3B | 113.1° | 113.1° |
FE4 | S1 | FE8 | S3B | 153.3° | 153.3° |
FE4 | S1 | FE8 | S4B | 34.3° | 34.3° |
S4A | FE4 | S1 | FE5 | 83.7° | 83.7° |
S4A | FE4 | S1 | FE6 | 102.6° | 102.6° |
S4A | FE4 | S1 | FE8 | 32.5° | 32.5° |
S3A | FE4 | S1 | FE5 | 155.3° | 155.3° |
S3A | FE4 | S1 | FE6 | 136.4° | 136.4° |
S3A | FE4 | S1 | FE8 | 153.5° | 153.5° |
FE5 | S1 | FE6 | FE8 | 69.9° | 69.9° |
S1 | FE5 | S2B | S4B | 121.1° | 121.1° |
FE5 | S1 | FE6 | S2B | 20.4° | 20.4° |
FE5 | S1 | FE6 | S3B | 92.6° | 92.6° |
S1 | FE5 | S2B | FE7 | 101.7° | 101.7° |
S1 | FE5 | S4B | FE7 | 103.2° | 103.2° |
FE5 | S1 | FE8 | S3B | 94.3° | 94.3° |
FE5 | S1 | FE8 | S4B | 24.6° | 24.6° |
FE6 | S1 | FE5 | S4B | 96.9° | 96.9° |
S1 | FE6 | S2B | S3B | 118.5° | 118.5° |
S1 | FE6 | S2B | FE7 | 99.3° | 99.3° |
S1 | FE6 | S3B | FE7 | 98.3° | 98.3° |
FE6 | S1 | FE8 | S3B | 22.3° | 22.3° |
FE6 | S1 | FE8 | S4B | 96.6° | 96.6° |
FE8 | S1 | FE5 | S2B | 93.2° | 93.2° |
FE8 | S1 | FE6 | S2B | 90.3° | 90.3° |
S1 | FE8 | S3B | FE7 | 104.1° | 104.1° |
S1 | FE8 | S4B | FE7 | 105.4° | 105.4° |
S1 | FE8 | S3B | S4B | 120.1° | 120.1° |
FE5 | S2B | FE6 | FE7 | 78.7° | 78.7° |
FE5 | S2B | FE6 | S3B | 98.0° | 98.0° |
FE5 | S2B | FE7 | S3B | 89.4° | 89.4° |
S2B | FE5 | S4B | FE7 | 19.2° | 19.2° |
S2B | FE5 | S4B | FE8 | 96.5° | 96.5° |
S4B | FE5 | S2B | FE6 | 99.4° | 99.4° |
FE5 | S4B | FE7 | S3B | 86.5° | 86.5° |
FE5 | S4B | FE7 | FE8 | 71.0° | 71.0° |
FE5 | S4B | FE8 | S3B | 95.8° | 95.8° |
S2B | FE6 | S3B | FE7 | 19.5° | 19.5° |
FE6 | S2B | FE7 | S4B | 88.0° | 88.0° |
S2B | FE6 | S3B | FE8 | 94.9° | 94.9° |
FE6 | S3B | FE7 | FE8 | 69.9° | 69.9° |
FE6 | S3B | FE7 | S4B | 84.7° | 84.7° |
FE6 | S3B | FE8 | S4B | 97.0° | 97.0° |
S2B | FE7 | S3B | S4B | 103.7° | 103.7° |
S2B | FE7 | S3B | FE8 | 89.0° | 89.0° |
S2B | FE7 | S4B | FE8 | 89.4° | 89.4° |
S3B | FE7 | S4B | FE8 | 15.6° | 15.6° |