CFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S3A | FE4 | sing | 2.36Å | 2.24Å | |
| S3A | FE5 | sing | 2.36Å | 2.25Å | |
| FE4 | S1A | sing | 2.36Å | 2.28Å | |
| FE4 | S4A | sing | 2.36Å | 2.29Å | |
| FE4 | NX | sing | 1.69Å | 1.92Å | |
| S1A | FE2 | sing | 2.35Å | 2.26Å | |
| S1A | FE1 | sing | 2.29Å | 2.27Å | |
| S4A | FE3 | sing | 2.36Å | 2.27Å | |
| S4A | FE1 | sing | 2.29Å | 2.27Å | |
| FE3 | S2A | sing | 2.35Å | 2.26Å | |
| FE3 | S5A | sing | 2.36Å | 2.21Å | |
| FE3 | NX | sing | 1.69Å | 1.99Å | |
| S2A | FE2 | sing | 2.36Å | 2.25Å | |
| S2A | FE1 | sing | 2.28Å | 2.26Å | |
| FE7 | S4B | sing | 2.35Å | 2.21Å | |
| FE7 | S3B | sing | 2.35Å | 2.26Å | |
| FE7 | S5A | sing | 2.36Å | 2.21Å | |
| FE7 | NX | sing | 1.69Å | 2.03Å | |
| S4B | MO1 | sing | 2.51Å | 2.33Å | |
| S4B | FE5 | sing | 2.35Å | 2.24Å | |
| MO1 | S1B | sing | 2.51Å | 2.34Å | |
| MO1 | S3B | sing | 2.51Å | 2.37Å | |
| S1B | FE6 | sing | 2.35Å | 2.23Å | |
| S1B | FE5 | sing | 2.35Å | 2.26Å | |
| FE6 | S2B | sing | 2.36Å | 2.17Å | |
| FE6 | S3B | sing | 2.35Å | 2.22Å | |
| FE6 | NX | sing | 1.69Å | 2.07Å | |
| FE2 | S2B | sing | 2.36Å | 2.21Å | |
| FE2 | NX | sing | 1.69Å | 2.03Å | |
| FE5 | NX | sing | 1.69Å | 1.97Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE4 | S3A | FE5 | 71.2° | 55.7° |
| S3A | FE4 | S1A | 119.4° | 111.5° |
| S3A | FE4 | S4A | 121.2° | 111.5° |
| S3A | FE4 | NX | 103.3° | 111.5° |
| S3A | FE5 | S4B | 120.7° | 111.4° |
| S3A | FE5 | S1B | 119.6° | 111.4° |
| S3A | FE5 | NX | 101.3° | 111.5° |
| S1A | FE4 | S4A | 105.9° | 103.8° |
| S1A | FE4 | NX | 102.2° | 109.1° |
| FE4 | S1A | FE2 | 71.5° | 56.4° |
| FE4 | S1A | FE1 | 71.2° | 68.0° |
| S4A | FE4 | NX | 101.5° | 109.1° |
| FE4 | S4A | FE3 | 70.8° | 56.4° |
| FE4 | S4A | FE1 | 71.0° | 67.9° |
| FE4 | NX | FE3 | 85.0° | 82.3° |
| FE4 | NX | FE7 | 138.3° | 135.4° |
| FE4 | NX | FE6 | 137.1° | 135.4° |
| FE4 | NX | FE2 | 84.3° | 82.3° |
| FE4 | NX | FE5 | 84.2° | 81.3° |
| FE2 | S1A | FE1 | 72.2° | 67.9° |
| S1A | FE2 | S2A | 105.3° | 103.7° |
| S1A | FE2 | S2B | 123.3° | 111.5° |
| S1A | FE2 | NX | 99.6° | 109.1° |
| S1A | FE1 | S4A | 106.8° | 107.8° |
| S1A | FE1 | S2A | 104.5° | 108.0° |
| FE3 | S4A | FE1 | 72.0° | 67.9° |
| S4A | FE3 | S2A | 105.1° | 103.7° |
| S4A | FE3 | S5A | 119.8° | 111.5° |
| S4A | FE3 | NX | 100.1° | 109.1° |
| S4A | FE1 | S2A | 105.0° | 108.0° |
| S2A | FE3 | S5A | 121.8° | 111.6° |
| S2A | FE3 | NX | 101.5° | 109.1° |
| FE3 | S2A | FE2 | 72.8° | 56.5° |
| FE3 | S2A | FE1 | 72.5° | 68.0° |
| S5A | FE3 | NX | 104.7° | 111.5° |
| FE3 | S5A | FE7 | 71.6° | 55.7° |
| FE3 | NX | FE7 | 80.0° | 81.3° |
| FE3 | NX | FE6 | 130.5° | 135.4° |
| FE3 | NX | FE2 | 83.5° | 82.3° |
| FE3 | NX | FE5 | 138.2° | 135.4° |
| FE2 | S2A | FE1 | 72.8° | 68.0° |
| S2A | FE2 | S2B | 118.9° | 111.5° |
| S2A | FE2 | NX | 100.7° | 109.1° |
| S4B | FE7 | S3B | 110.0° | 103.9° |
| S4B | FE7 | S5A | 118.6° | 111.5° |
| S4B | FE7 | NX | 100.7° | 109.2° |
| FE7 | S4B | MO1 | 72.5° | 77.4° |
| FE7 | S4B | FE5 | 72.1° | 56.5° |
| S3B | FE7 | S5A | 117.7° | 111.4° |
| S3B | FE7 | NX | 103.0° | 109.1° |
| FE7 | S3B | MO1 | 71.0° | 77.4° |
| FE7 | S3B | FE6 | 71.2° | 56.5° |
| S5A | FE7 | NX | 103.5° | 111.5° |
| FE7 | NX | FE6 | 78.8° | 82.1° |
| FE7 | NX | FE2 | 131.4° | 135.4° |
| FE7 | NX | FE5 | 81.7° | 82.0° |
| MO1 | S4B | FE5 | 73.3° | 77.4° |
| S4B | MO1 | S1B | 102.4° | 94.7° |
| S4B | MO1 | S3B | 102.5° | 94.7° |
| S4B | FE5 | S1B | 107.7° | 103.9° |
| S4B | FE5 | NX | 101.5° | 109.2° |
| S1B | MO1 | S3B | 102.2° | 94.7° |
| MO1 | S1B | FE6 | 71.5° | 77.4° |
| MO1 | S1B | FE5 | 72.7° | 77.4° |
| MO1 | S3B | FE6 | 71.2° | 77.4° |
| FE6 | S1B | FE5 | 71.9° | 56.5° |
| S1B | FE6 | S2B | 119.1° | 111.4° |
| S1B | FE6 | S3B | 110.8° | 103.8° |
| S1B | FE6 | NX | 100.4° | 109.1° |
| S1B | FE5 | NX | 102.2° | 109.2° |
| S2B | FE6 | S3B | 115.8° | 111.5° |
| S2B | FE6 | NX | 104.7° | 111.5° |
| FE6 | S2B | FE2 | 72.4° | 55.7° |
| S3B | FE6 | NX | 103.2° | 109.2° |
| FE6 | NX | FE2 | 78.1° | 81.3° |
| FE6 | NX | FE5 | 81.4° | 82.1° |
| S2B | FE2 | NX | 104.8° | 111.5° |
| FE2 | NX | FE5 | 135.2° | 135.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S3A | FE4 | S1A | S4A | 141.1° | 120.1° |
| S3A | FE4 | S1A | NX | 113.1° | 123.6° |
| S3A | FE4 | S4A | NX | 113.4° | 123.6° |
| S3A | FE4 | S1A | FE2 | 124.6° | 136.2° |
| S3A | FE4 | S1A | FE1 | 158.5° | 146.4° |
| S3A | FE4 | S4A | FE3 | 125.5° | 136.2° |
| S3A | FE4 | S4A | FE1 | 157.6° | 146.4° |
| S3A | FE4 | NX | FE3 | 139.3° | 138.4° |
| S3A | FE4 | NX | FE7 | 70.5° | 69.2° |
| FE4 | S3A | FE5 | S4B | 110.9° | 122.3° |
| FE4 | S3A | FE5 | S1B | 111.0° | 122.2° |
| S3A | FE4 | NX | FE6 | 71.0° | 69.2° |
| S3A | FE4 | NX | FE2 | 136.8° | 138.4° |
| FE4 | S3A | FE5 | NX | 0.2° | 0.0° |
| FE5 | S3A | FE4 | S1A | 112.3° | 122.2° |
| FE5 | S3A | FE4 | S4A | 112.7° | 122.2° |
| S3A | FE5 | NX | FE3 | 75.6° | 69.6° |
| S3A | FE5 | S4B | FE7 | 125.6° | 136.3° |
| S3A | FE5 | NX | FE7 | 140.5° | 138.5° |
| S3A | FE5 | S4B | MO1 | 158.0° | 140.5° |
| S3A | FE5 | S4B | S1B | 142.4° | 120.0° |
| S3A | FE5 | S4B | NX | 110.7° | 123.6° |
| S3A | FE5 | S1B | MO1 | 158.4° | 140.5° |
| S3A | FE5 | S1B | FE6 | 125.9° | 136.4° |
| S3A | FE5 | S1B | NX | 110.7° | 123.6° |
| S3A | FE5 | NX | FE6 | 139.7° | 138.5° |
| S3A | FE5 | NX | FE2 | 76.2° | 69.6° |
| S1A | FE4 | S4A | NX | 106.4° | 116.2° |
| FE4 | S1A | FE2 | FE1 | 75.6° | 77.5° |
| S1A | FE4 | S4A | FE3 | 94.3° | 103.6° |
| S1A | FE4 | S4A | FE1 | 17.4° | 26.3° |
| S1A | FE4 | NX | FE3 | 96.2° | 98.0° |
| FE4 | S1A | FE2 | S2A | 93.2° | 103.6° |
| FE4 | S1A | FE1 | S2A | 93.4° | 88.9° |
| S1A | FE4 | NX | FE7 | 165.0° | 167.2° |
| S1A | FE4 | NX | FE6 | 53.5° | 54.4° |
| FE4 | S1A | FE2 | S2B | 125.7° | 136.3° |
| S1A | FE4 | NX | FE2 | 12.3° | 14.8° |
| S1A | FE4 | NX | FE5 | 124.3° | 123.6° |
| S4A | FE4 | S1A | FE2 | 94.3° | 103.6° |
| FE4 | S4A | FE3 | FE1 | 75.6° | 77.5° |
| FE4 | S4A | FE3 | S2A | 93.3° | 103.6° |
| FE4 | S4A | FE3 | S5A | 125.1° | 136.2° |
| S4A | FE4 | NX | FE3 | 13.1° | 14.8° |
| FE4 | S4A | FE1 | S2A | 93.1° | 88.9° |
| S4A | FE4 | NX | FE7 | 55.8° | 54.4° |
| S4A | FE4 | NX | FE6 | 162.7° | 167.2° |
| S4A | FE4 | NX | FE2 | 97.0° | 98.0° |
| S4A | FE4 | NX | FE5 | 126.4° | 123.6° |
| NX | FE4 | S1A | FE1 | 88.5° | 90.0° |
| NX | FE4 | S4A | FE1 | 89.0° | 90.0° |
| FE4 | NX | FE3 | S2A | 94.7° | 97.9° |
| FE4 | NX | FE3 | S5A | 137.8° | 138.4° |
| FE4 | NX | FE3 | FE7 | 141.0° | 138.4° |
| FE4 | NX | FE3 | FE6 | 153.1° | 152.4° |
| FE4 | NX | FE3 | FE2 | 84.9° | 83.2° |
| FE4 | NX | FE3 | FE5 | 75.6° | 69.2° |
| FE4 | NX | FE2 | S2A | 95.4° | 97.9° |
| FE4 | NX | FE7 | S4B | 55.8° | 54.0° |
| FE4 | NX | FE7 | S3B | 169.5° | 166.9° |
| FE4 | NX | FE7 | S5A | 67.4° | 69.6° |
| FE4 | NX | FE7 | FE6 | 154.4° | 152.0° |
| FE4 | NX | FE7 | FE2 | 142.5° | 139.1° |
| FE4 | NX | FE7 | FE5 | 71.6° | 68.9° |
| FE4 | NX | FE5 | S4B | 125.1° | 123.5° |
| FE4 | NX | FE6 | S1B | 56.0° | 54.0° |
| FE4 | NX | FE5 | S1B | 123.7° | 123.5° |
| FE4 | NX | FE6 | S2B | 68.0° | 69.5° |
| FE4 | NX | FE6 | S3B | 170.4° | 166.9° |
| FE4 | NX | FE6 | FE2 | 68.0° | 69.5° |
| FE4 | NX | FE6 | FE5 | 71.9° | 69.0° |
| FE4 | NX | FE2 | S2B | 140.6° | 138.4° |
| FE4 | NX | FE2 | FE5 | 75.9° | 69.2° |
| FE2 | S1A | FE1 | S4A | 93.5° | 89.0° |
| S1A | FE2 | S2A | FE3 | 94.2° | 103.7° |
| S1A | FE2 | NX | FE3 | 97.8° | 98.0° |
| S1A | FE2 | S2A | S2B | 143.2° | 120.1° |
| S1A | FE2 | S2A | NX | 103.2° | 116.2° |
| FE2 | S1A | FE1 | S2A | 17.5° | 27.6° |
| S1A | FE2 | NX | FE7 | 168.3° | 167.2° |
| S1A | FE2 | S2B | FE6 | 112.4° | 122.3° |
| S1A | FE2 | NX | FE6 | 128.4° | 123.6° |
| S1A | FE2 | S2B | NX | 112.4° | 122.3° |
| S1A | FE2 | NX | FE5 | 63.7° | 54.4° |
| S1A | FE1 | S4A | FE3 | 92.8° | 89.0° |
| S1A | FE1 | S4A | S2A | 110.6° | 116.5° |
| S1A | FE1 | S2A | FE3 | 94.4° | 88.9° |
| FE1 | S1A | FE2 | S2B | 158.7° | 146.2° |
| FE1 | S1A | FE2 | NX | 86.4° | 90.1° |
| S4A | FE3 | S2A | S5A | 140.6° | 120.1° |
| S4A | FE3 | S2A | NX | 103.9° | 116.2° |
| S4A | FE3 | S5A | NX | 111.0° | 122.2° |
| S4A | FE3 | S2A | FE2 | 94.6° | 103.7° |
| FE3 | S4A | FE1 | S2A | 17.7° | 27.6° |
| S4A | FE3 | S5A | FE7 | 114.1° | 122.2° |
| S4A | FE3 | NX | FE7 | 127.9° | 123.6° |
| S4A | FE3 | NX | FE6 | 166.3° | 167.2° |
| S4A | FE3 | NX | FE2 | 98.0° | 98.0° |
| S4A | FE3 | NX | FE5 | 62.5° | 54.4° |
| FE1 | S4A | FE3 | S5A | 159.3° | 146.3° |
| FE1 | S4A | FE3 | NX | 87.2° | 90.1° |
| S4A | FE1 | S2A | FE2 | 94.7° | 88.9° |
| S2A | FE3 | S5A | NX | 113.9° | 122.3° |
| FE3 | S2A | FE2 | FE1 | 76.5° | 77.5° |
| S2A | FE3 | S5A | FE7 | 110.8° | 122.3° |
| S2A | FE3 | NX | FE7 | 124.3° | 123.7° |
| S2A | FE3 | NX | FE6 | 58.5° | 54.5° |
| FE3 | S2A | FE2 | S2B | 122.6° | 136.2° |
| S2A | FE3 | NX | FE2 | 9.8° | 14.7° |
| S2A | FE3 | NX | FE5 | 170.3° | 167.1° |
| S5A | FE3 | S2A | FE2 | 124.7° | 136.2° |
| S5A | FE3 | S2A | FE1 | 158.4° | 146.3° |
| FE3 | S5A | FE7 | S4B | 113.4° | 122.3° |
| FE3 | S5A | FE7 | S3B | 109.8° | 122.2° |
| S5A | FE3 | NX | FE7 | 3.2° | 0.0° |
| S5A | FE3 | NX | FE6 | 69.1° | 69.2° |
| S5A | FE3 | NX | FE2 | 137.4° | 138.4° |
| S5A | FE3 | NX | FE5 | 62.2° | 69.2° |
| NX | FE3 | S2A | FE1 | 86.0° | 90.0° |
| FE3 | NX | FE7 | S4B | 126.4° | 123.6° |
| FE3 | NX | FE7 | S3B | 119.9° | 123.5° |
| FE3 | NX | FE7 | FE6 | 135.0° | 138.5° |
| FE3 | NX | FE7 | FE2 | 71.9° | 69.6° |
| FE3 | NX | FE7 | FE5 | 142.2° | 138.5° |
| FE3 | NX | FE5 | S4B | 49.2° | 54.0° |
| FE3 | NX | FE6 | S1B | 165.4° | 166.9° |
| FE3 | NX | FE5 | S1B | 160.4° | 166.9° |
| FE3 | NX | FE6 | S2B | 70.6° | 69.6° |
| FE3 | NX | FE6 | S3B | 51.0° | 54.0° |
| FE3 | NX | FE6 | FE2 | 70.6° | 69.6° |
| FE3 | NX | FE6 | FE5 | 149.5° | 151.9° |
| FE3 | NX | FE2 | S2B | 133.8° | 138.4° |
| FE3 | NX | FE2 | FE5 | 161.5° | 152.4° |
| S2A | FE2 | NX | FE7 | 60.6° | 54.5° |
| S2A | FE2 | S2B | FE6 | 111.4° | 122.3° |
| S2A | FE2 | NX | FE6 | 123.9° | 123.7° |
| S2A | FE2 | S2B | NX | 111.4° | 122.3° |
| S2A | FE2 | NX | FE5 | 171.4° | 167.1° |
| FE1 | S2A | FE2 | S2B | 160.8° | 146.3° |
| FE1 | S2A | FE2 | NX | 85.5° | 90.0° |
| S4B | FE7 | S3B | S5A | 140.2° | 120.1° |
| S4B | FE7 | S3B | NX | 106.6° | 116.3° |
| S4B | FE7 | S5A | NX | 110.4° | 122.3° |
| FE7 | S4B | MO1 | FE5 | 76.1° | 58.0° |
| FE7 | S4B | MO1 | S1B | 90.8° | 76.6° |
| S4B | FE7 | S3B | MO1 | 16.1° | 20.5° |
| FE7 | S4B | FE5 | S1B | 92.1° | 103.6° |
| S4B | FE7 | S3B | FE6 | 92.1° | 103.6° |
| S4B | FE7 | NX | FE6 | 98.6° | 98.0° |
| S4B | FE7 | NX | FE2 | 161.7° | 166.9° |
| S4B | FE7 | NX | FE5 | 15.8° | 14.9° |
| S3B | FE7 | S5A | NX | 112.8° | 122.2° |
| S3B | FE7 | S4B | FE5 | 93.8° | 103.6° |
| FE7 | S3B | MO1 | S1B | 91.1° | 76.6° |
| FE7 | S3B | MO1 | FE6 | 75.9° | 58.0° |
| FE7 | S3B | FE6 | S1B | 92.4° | 103.6° |
| FE7 | S3B | FE6 | S2B | 128.1° | 136.4° |
| S3B | FE7 | NX | FE6 | 15.0° | 14.9° |
| S3B | FE7 | NX | FE2 | 48.0° | 54.0° |
| S3B | FE7 | NX | FE5 | 97.9° | 98.0° |
| S5A | FE7 | S4B | MO1 | 156.0° | 140.5° |
| S5A | FE7 | S4B | FE5 | 126.4° | 136.4° |
| S5A | FE7 | S3B | MO1 | 156.3° | 140.6° |
| S5A | FE7 | S3B | FE6 | 127.7° | 136.3° |
| S5A | FE7 | NX | FE6 | 138.2° | 138.4° |
| S5A | FE7 | NX | FE2 | 75.2° | 69.5° |
| S5A | FE7 | NX | FE5 | 139.0° | 138.5° |
| NX | FE7 | S4B | MO1 | 92.0° | 95.8° |
| NX | FE7 | S3B | MO1 | 90.5° | 95.9° |
| FE7 | NX | FE6 | S1B | 99.1° | 97.9° |
| FE7 | NX | FE5 | S1B | 95.6° | 98.0° |
| FE7 | NX | FE6 | S2B | 136.9° | 138.5° |
| FE7 | NX | FE6 | FE2 | 136.9° | 138.5° |
| FE7 | NX | FE6 | FE5 | 83.2° | 83.0° |
| FE7 | NX | FE2 | S2B | 63.3° | 69.2° |
| FE7 | NX | FE2 | FE5 | 128.0° | 138.4° |
| S4B | MO1 | S1B | S3B | 105.9° | 95.1° |
| S4B | MO1 | S1B | FE6 | 90.8° | 76.6° |
| MO1 | S4B | FE5 | S1B | 15.6° | 20.5° |
| S4B | MO1 | S3B | FE6 | 90.6° | 76.6° |
| MO1 | S4B | FE5 | NX | 91.4° | 95.9° |
| FE5 | S4B | MO1 | S3B | 90.9° | 76.6° |
| S4B | FE5 | S1B | FE6 | 91.3° | 103.6° |
| S4B | FE5 | S1B | NX | 106.4° | 116.4° |
| S4B | FE5 | NX | FE6 | 95.5° | 98.0° |
| S4B | FE5 | NX | FE2 | 159.0° | 166.9° |
| MO1 | S1B | FE6 | FE5 | 77.3° | 83.1° |
| MO1 | S1B | FE6 | S2B | 154.9° | 140.6° |
| S1B | MO1 | S3B | FE6 | 15.2° | 18.6° |
| MO1 | S1B | FE6 | NX | 91.6° | 95.9° |
| MO1 | S1B | FE5 | NX | 90.9° | 95.9° |
| S3B | MO1 | S1B | FE5 | 91.3° | 76.6° |
| MO1 | S3B | FE6 | S2B | 156.2° | 140.5° |
| MO1 | S3B | FE6 | NX | 89.9° | 95.8° |
| S1B | FE6 | S2B | S3B | 136.0° | 115.5° |
| S1B | FE6 | S2B | NX | 111.1° | 122.2° |
| S1B | FE6 | S3B | NX | 106.7° | 116.3° |
| S1B | FE6 | S2B | FE2 | 111.1° | 122.2° |
| S1B | FE6 | NX | FE2 | 124.0° | 123.5° |
| FE6 | S1B | FE5 | NX | 15.2° | 12.8° |
| FE5 | S1B | FE6 | S2B | 127.8° | 136.4° |
| FE5 | S1B | FE6 | S3B | 94.2° | 103.5° |
| S1B | FE5 | NX | FE2 | 47.7° | 54.0° |
| S2B | FE6 | S3B | NX | 113.8° | 123.6° |
| S2B | FE6 | NX | FE2 | 0.0° | 0.0° |
| S2B | FE6 | NX | FE5 | 139.9° | 138.5° |
| S3B | FE6 | S2B | FE2 | 112.9° | 122.3° |
| S3B | FE6 | NX | FE2 | 121.6° | 123.6° |
| S3B | FE6 | NX | FE5 | 98.5° | 97.9° |
| FE6 | NX | FE2 | FE5 | 64.7° | 69.2° |
| S2B | FE2 | NX | FE5 | 64.7° | 69.2° |
