CFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S3A | FE4 | sing | 2.24Å | 2.24Å | |
| S3A | FE5 | sing | 2.25Å | 2.25Å | |
| FE4 | S1A | sing | 2.28Å | 2.28Å | |
| FE4 | S4A | sing | 2.29Å | 2.29Å | |
| FE4 | NX | sing | 1.92Å | 1.92Å | |
| S1A | FE2 | sing | 2.26Å | 2.26Å | |
| S1A | FE1 | sing | 2.27Å | 2.27Å | |
| S4A | FE3 | sing | 2.27Å | 2.27Å | |
| S4A | FE1 | sing | 2.27Å | 2.27Å | |
| FE3 | S2A | sing | 2.26Å | 2.26Å | |
| FE3 | S5A | sing | 2.21Å | 2.21Å | |
| FE3 | NX | sing | 1.99Å | 1.99Å | |
| S2A | FE2 | sing | 2.25Å | 2.25Å | |
| S2A | FE1 | sing | 2.26Å | 2.26Å | |
| FE7 | S4B | sing | 2.21Å | 2.21Å | |
| FE7 | S3B | sing | 2.26Å | 2.26Å | |
| FE7 | S5A | sing | 2.21Å | 2.21Å | |
| FE7 | NX | sing | 2.03Å | 2.03Å | |
| S4B | MO1 | sing | 2.33Å | 2.33Å | |
| S4B | FE5 | sing | 2.24Å | 2.24Å | |
| MO1 | S1B | sing | 2.34Å | 2.34Å | |
| MO1 | S3B | sing | 2.37Å | 2.37Å | |
| S1B | FE6 | sing | 2.23Å | 2.23Å | |
| S1B | FE5 | sing | 2.26Å | 2.26Å | |
| FE6 | S2B | sing | 2.17Å | 2.17Å | |
| FE6 | S3B | sing | 2.22Å | 2.22Å | |
| FE6 | NX | sing | 2.07Å | 2.07Å | |
| FE2 | S2B | sing | 2.21Å | 2.21Å | |
| FE2 | NX | sing | 2.03Å | 2.03Å | |
| FE5 | NX | sing | 1.97Å | 1.97Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE4 | S3A | FE5 | 71.2° | 71.2° |
| S3A | FE4 | S1A | 119.4° | 119.4° |
| S3A | FE4 | S4A | 121.2° | 121.2° |
| S3A | FE4 | NX | 103.3° | 103.3° |
| S3A | FE5 | S4B | 120.7° | 120.7° |
| S3A | FE5 | S1B | 119.6° | 119.6° |
| S3A | FE5 | NX | 101.3° | 101.3° |
| S1A | FE4 | S4A | 105.9° | 105.9° |
| S1A | FE4 | NX | 102.2° | 102.2° |
| FE4 | S1A | FE2 | 71.5° | 71.5° |
| FE4 | S1A | FE1 | 71.2° | 71.2° |
| S4A | FE4 | NX | 101.5° | 101.5° |
| FE4 | S4A | FE3 | 70.8° | 70.8° |
| FE4 | S4A | FE1 | 71.0° | 71.0° |
| FE4 | NX | FE3 | 85.0° | 85.0° |
| FE4 | NX | FE7 | 138.3° | 138.3° |
| FE4 | NX | FE6 | 137.1° | 137.1° |
| FE4 | NX | FE2 | 84.3° | 84.3° |
| FE4 | NX | FE5 | 84.2° | 84.2° |
| FE2 | S1A | FE1 | 72.2° | 72.2° |
| S1A | FE2 | S2A | 105.3° | 105.3° |
| S1A | FE2 | S2B | 123.3° | 123.3° |
| S1A | FE2 | NX | 99.6° | 99.6° |
| S1A | FE1 | S4A | 106.8° | 106.8° |
| S1A | FE1 | S2A | 104.5° | 104.5° |
| FE3 | S4A | FE1 | 72.0° | 72.0° |
| S4A | FE3 | S2A | 105.1° | 105.1° |
| S4A | FE3 | S5A | 119.8° | 119.8° |
| S4A | FE3 | NX | 100.1° | 100.1° |
| S4A | FE1 | S2A | 105.0° | 105.0° |
| S2A | FE3 | S5A | 121.8° | 121.8° |
| S2A | FE3 | NX | 101.5° | 101.5° |
| FE3 | S2A | FE2 | 72.8° | 72.8° |
| FE3 | S2A | FE1 | 72.5° | 72.5° |
| S5A | FE3 | NX | 104.7° | 104.7° |
| FE3 | S5A | FE7 | 71.6° | 71.6° |
| FE3 | NX | FE7 | 80.0° | 80.0° |
| FE3 | NX | FE6 | 130.5° | 130.5° |
| FE3 | NX | FE2 | 83.5° | 83.5° |
| FE3 | NX | FE5 | 138.2° | 138.2° |
| FE2 | S2A | FE1 | 72.8° | 72.8° |
| S2A | FE2 | S2B | 118.9° | 118.9° |
| S2A | FE2 | NX | 100.7° | 100.7° |
| S4B | FE7 | S3B | 110.0° | 110.0° |
| S4B | FE7 | S5A | 118.6° | 118.6° |
| S4B | FE7 | NX | 100.7° | 100.7° |
| FE7 | S4B | MO1 | 72.5° | 72.5° |
| FE7 | S4B | FE5 | 72.1° | 72.1° |
| S3B | FE7 | S5A | 117.7° | 117.7° |
| S3B | FE7 | NX | 103.0° | 103.0° |
| FE7 | S3B | MO1 | 71.0° | 71.0° |
| FE7 | S3B | FE6 | 71.2° | 71.2° |
| S5A | FE7 | NX | 103.5° | 103.5° |
| FE7 | NX | FE6 | 78.8° | 78.8° |
| FE7 | NX | FE2 | 131.4° | 131.4° |
| FE7 | NX | FE5 | 81.7° | 81.7° |
| MO1 | S4B | FE5 | 73.3° | 73.3° |
| S4B | MO1 | S1B | 102.4° | 102.4° |
| S4B | MO1 | S3B | 102.5° | 102.5° |
| S4B | FE5 | S1B | 107.7° | 107.7° |
| S4B | FE5 | NX | 101.5° | 101.5° |
| S1B | MO1 | S3B | 102.2° | 102.2° |
| MO1 | S1B | FE6 | 71.5° | 71.5° |
| MO1 | S1B | FE5 | 72.7° | 72.7° |
| MO1 | S3B | FE6 | 71.2° | 71.2° |
| FE6 | S1B | FE5 | 71.9° | 71.9° |
| S1B | FE6 | S2B | 119.1° | 119.1° |
| S1B | FE6 | S3B | 110.8° | 110.8° |
| S1B | FE6 | NX | 100.4° | 100.4° |
| S1B | FE5 | NX | 102.2° | 102.2° |
| S2B | FE6 | S3B | 115.8° | 115.8° |
| S2B | FE6 | NX | 104.7° | 104.7° |
| FE6 | S2B | FE2 | 72.4° | 72.4° |
| S3B | FE6 | NX | 103.2° | 103.2° |
| FE6 | NX | FE2 | 78.1° | 78.1° |
| FE6 | NX | FE5 | 81.4° | 81.4° |
| S2B | FE2 | NX | 104.8° | 104.8° |
| FE2 | NX | FE5 | 135.2° | 135.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S3A | FE4 | S1A | S4A | 141.1° | 141.1° |
| S3A | FE4 | S1A | NX | 113.1° | 113.1° |
| S3A | FE4 | S4A | NX | 113.4° | 113.4° |
| S3A | FE4 | S1A | FE2 | 124.6° | 124.6° |
| S3A | FE4 | S1A | FE1 | 158.5° | 158.5° |
| S3A | FE4 | S4A | FE3 | 125.5° | 125.5° |
| S3A | FE4 | S4A | FE1 | 157.6° | 157.6° |
| S3A | FE4 | NX | FE3 | 139.3° | 139.3° |
| S3A | FE4 | NX | FE7 | 70.5° | 70.5° |
| FE4 | S3A | FE5 | S4B | 110.9° | 110.9° |
| FE4 | S3A | FE5 | S1B | 111.0° | 111.0° |
| S3A | FE4 | NX | FE6 | 71.0° | 71.0° |
| S3A | FE4 | NX | FE2 | 136.8° | 136.8° |
| FE4 | S3A | FE5 | NX | 0.2° | 0.2° |
| FE5 | S3A | FE4 | S1A | 112.3° | 112.3° |
| FE5 | S3A | FE4 | S4A | 112.7° | 112.7° |
| S3A | FE5 | NX | FE3 | 75.6° | 75.6° |
| S3A | FE5 | S4B | FE7 | 125.6° | 125.6° |
| S3A | FE5 | NX | FE7 | 140.5° | 140.5° |
| S3A | FE5 | S4B | MO1 | 158.0° | 158.0° |
| S3A | FE5 | S4B | S1B | 142.4° | 142.4° |
| S3A | FE5 | S4B | NX | 110.7° | 110.7° |
| S3A | FE5 | S1B | MO1 | 158.4° | 158.4° |
| S3A | FE5 | S1B | FE6 | 125.9° | 125.9° |
| S3A | FE5 | S1B | NX | 110.7° | 110.7° |
| S3A | FE5 | NX | FE6 | 139.7° | 139.7° |
| S3A | FE5 | NX | FE2 | 76.2° | 76.2° |
| S1A | FE4 | S4A | NX | 106.4° | 106.4° |
| FE4 | S1A | FE2 | FE1 | 75.6° | 75.6° |
| S1A | FE4 | S4A | FE3 | 94.3° | 94.3° |
| S1A | FE4 | S4A | FE1 | 17.4° | 17.4° |
| S1A | FE4 | NX | FE3 | 96.2° | 96.2° |
| FE4 | S1A | FE2 | S2A | 93.2° | 93.2° |
| FE4 | S1A | FE1 | S2A | 93.4° | 93.4° |
| S1A | FE4 | NX | FE7 | 165.0° | 165.0° |
| S1A | FE4 | NX | FE6 | 53.5° | 53.5° |
| FE4 | S1A | FE2 | S2B | 125.7° | 125.7° |
| S1A | FE4 | NX | FE2 | 12.3° | 12.3° |
| S1A | FE4 | NX | FE5 | 124.3° | 124.3° |
| S4A | FE4 | S1A | FE2 | 94.3° | 94.3° |
| FE4 | S4A | FE3 | FE1 | 75.6° | 75.6° |
| FE4 | S4A | FE3 | S2A | 93.3° | 93.3° |
| FE4 | S4A | FE3 | S5A | 125.1° | 125.1° |
| S4A | FE4 | NX | FE3 | 13.1° | 13.1° |
| FE4 | S4A | FE1 | S2A | 93.1° | 93.1° |
| S4A | FE4 | NX | FE7 | 55.8° | 55.8° |
| S4A | FE4 | NX | FE6 | 162.7° | 162.7° |
| S4A | FE4 | NX | FE2 | 97.0° | 97.0° |
| S4A | FE4 | NX | FE5 | 126.4° | 126.4° |
| NX | FE4 | S1A | FE1 | 88.5° | 88.5° |
| NX | FE4 | S4A | FE1 | 89.0° | 89.0° |
| FE4 | NX | FE3 | S2A | 94.7° | 94.7° |
| FE4 | NX | FE3 | S5A | 137.8° | 137.8° |
| FE4 | NX | FE3 | FE7 | 141.0° | 141.0° |
| FE4 | NX | FE3 | FE6 | 153.1° | 153.1° |
| FE4 | NX | FE3 | FE2 | 84.9° | 84.9° |
| FE4 | NX | FE3 | FE5 | 75.6° | 75.6° |
| FE4 | NX | FE2 | S2A | 95.4° | 95.4° |
| FE4 | NX | FE7 | S4B | 55.8° | 55.8° |
| FE4 | NX | FE7 | S3B | 169.5° | 169.5° |
| FE4 | NX | FE7 | S5A | 67.4° | 67.4° |
| FE4 | NX | FE7 | FE6 | 154.4° | 154.4° |
| FE4 | NX | FE7 | FE2 | 142.5° | 142.5° |
| FE4 | NX | FE7 | FE5 | 71.6° | 71.6° |
| FE4 | NX | FE5 | S4B | 125.1° | 125.1° |
| FE4 | NX | FE6 | S1B | 56.0° | 56.0° |
| FE4 | NX | FE5 | S1B | 123.7° | 123.7° |
| FE4 | NX | FE6 | S2B | 68.0° | 68.0° |
| FE4 | NX | FE6 | S3B | 170.4° | 170.4° |
| FE4 | NX | FE6 | FE2 | 68.0° | 68.0° |
| FE4 | NX | FE6 | FE5 | 71.9° | 71.9° |
| FE4 | NX | FE2 | S2B | 140.6° | 140.6° |
| FE4 | NX | FE2 | FE5 | 75.9° | 75.9° |
| FE2 | S1A | FE1 | S4A | 93.5° | 93.5° |
| S1A | FE2 | S2A | FE3 | 94.2° | 94.2° |
| S1A | FE2 | NX | FE3 | 97.8° | 97.8° |
| S1A | FE2 | S2A | S2B | 143.2° | 143.2° |
| S1A | FE2 | S2A | NX | 103.2° | 103.2° |
| FE2 | S1A | FE1 | S2A | 17.5° | 17.5° |
| S1A | FE2 | NX | FE7 | 168.3° | 168.3° |
| S1A | FE2 | S2B | FE6 | 112.4° | 112.4° |
| S1A | FE2 | NX | FE6 | 128.4° | 128.4° |
| S1A | FE2 | S2B | NX | 112.4° | 112.4° |
| S1A | FE2 | NX | FE5 | 63.7° | 63.7° |
| S1A | FE1 | S4A | FE3 | 92.8° | 92.8° |
| S1A | FE1 | S4A | S2A | 110.6° | 110.6° |
| S1A | FE1 | S2A | FE3 | 94.4° | 94.4° |
| FE1 | S1A | FE2 | S2B | 158.7° | 158.7° |
| FE1 | S1A | FE2 | NX | 86.4° | 86.4° |
| S4A | FE3 | S2A | S5A | 140.6° | 140.6° |
| S4A | FE3 | S2A | NX | 103.9° | 103.9° |
| S4A | FE3 | S5A | NX | 111.0° | 111.0° |
| S4A | FE3 | S2A | FE2 | 94.6° | 94.6° |
| FE3 | S4A | FE1 | S2A | 17.7° | 17.7° |
| S4A | FE3 | S5A | FE7 | 114.1° | 114.1° |
| S4A | FE3 | NX | FE7 | 127.9° | 127.9° |
| S4A | FE3 | NX | FE6 | 166.3° | 166.3° |
| S4A | FE3 | NX | FE2 | 98.0° | 98.0° |
| S4A | FE3 | NX | FE5 | 62.5° | 62.5° |
| FE1 | S4A | FE3 | S5A | 159.3° | 159.3° |
| FE1 | S4A | FE3 | NX | 87.2° | 87.2° |
| S4A | FE1 | S2A | FE2 | 94.7° | 94.7° |
| S2A | FE3 | S5A | NX | 113.9° | 113.9° |
| FE3 | S2A | FE2 | FE1 | 76.5° | 76.5° |
| S2A | FE3 | S5A | FE7 | 110.8° | 110.8° |
| S2A | FE3 | NX | FE7 | 124.3° | 124.3° |
| S2A | FE3 | NX | FE6 | 58.5° | 58.5° |
| FE3 | S2A | FE2 | S2B | 122.6° | 122.6° |
| S2A | FE3 | NX | FE2 | 9.8° | 9.8° |
| S2A | FE3 | NX | FE5 | 170.3° | 170.3° |
| S5A | FE3 | S2A | FE2 | 124.7° | 124.7° |
| S5A | FE3 | S2A | FE1 | 158.4° | 158.4° |
| FE3 | S5A | FE7 | S4B | 113.4° | 113.4° |
| FE3 | S5A | FE7 | S3B | 109.8° | 109.8° |
| S5A | FE3 | NX | FE7 | 3.2° | 3.2° |
| S5A | FE3 | NX | FE6 | 69.1° | 69.1° |
| S5A | FE3 | NX | FE2 | 137.4° | 137.4° |
| S5A | FE3 | NX | FE5 | 62.2° | 62.2° |
| NX | FE3 | S2A | FE1 | 86.0° | 86.0° |
| FE3 | NX | FE7 | S4B | 126.4° | 126.4° |
| FE3 | NX | FE7 | S3B | 119.9° | 119.9° |
| FE3 | NX | FE7 | FE6 | 135.0° | 135.0° |
| FE3 | NX | FE7 | FE2 | 71.9° | 71.9° |
| FE3 | NX | FE7 | FE5 | 142.2° | 142.2° |
| FE3 | NX | FE5 | S4B | 49.2° | 49.2° |
| FE3 | NX | FE6 | S1B | 165.4° | 165.4° |
| FE3 | NX | FE5 | S1B | 160.4° | 160.4° |
| FE3 | NX | FE6 | S2B | 70.6° | 70.6° |
| FE3 | NX | FE6 | S3B | 51.0° | 51.0° |
| FE3 | NX | FE6 | FE2 | 70.6° | 70.6° |
| FE3 | NX | FE6 | FE5 | 149.5° | 149.5° |
| FE3 | NX | FE2 | S2B | 133.8° | 133.8° |
| FE3 | NX | FE2 | FE5 | 161.5° | 161.5° |
| S2A | FE2 | NX | FE7 | 60.6° | 60.6° |
| S2A | FE2 | S2B | FE6 | 111.4° | 111.4° |
| S2A | FE2 | NX | FE6 | 123.9° | 123.9° |
| S2A | FE2 | S2B | NX | 111.4° | 111.4° |
| S2A | FE2 | NX | FE5 | 171.4° | 171.4° |
| FE1 | S2A | FE2 | S2B | 160.8° | 160.8° |
| FE1 | S2A | FE2 | NX | 85.5° | 85.5° |
| S4B | FE7 | S3B | S5A | 140.2° | 140.2° |
| S4B | FE7 | S3B | NX | 106.6° | 106.6° |
| S4B | FE7 | S5A | NX | 110.4° | 110.4° |
| FE7 | S4B | MO1 | FE5 | 76.1° | 76.1° |
| FE7 | S4B | MO1 | S1B | 90.8° | 90.8° |
| S4B | FE7 | S3B | MO1 | 16.1° | 16.1° |
| FE7 | S4B | FE5 | S1B | 92.1° | 92.1° |
| S4B | FE7 | S3B | FE6 | 92.1° | 92.1° |
| S4B | FE7 | NX | FE6 | 98.6° | 98.6° |
| S4B | FE7 | NX | FE2 | 161.7° | 161.7° |
| S4B | FE7 | NX | FE5 | 15.8° | 15.8° |
| S3B | FE7 | S5A | NX | 112.8° | 112.8° |
| S3B | FE7 | S4B | FE5 | 93.8° | 93.8° |
| FE7 | S3B | MO1 | S1B | 91.1° | 91.1° |
| FE7 | S3B | MO1 | FE6 | 75.9° | 75.9° |
| FE7 | S3B | FE6 | S1B | 92.4° | 92.4° |
| FE7 | S3B | FE6 | S2B | 128.1° | 128.1° |
| S3B | FE7 | NX | FE6 | 15.0° | 15.0° |
| S3B | FE7 | NX | FE2 | 48.0° | 48.0° |
| S3B | FE7 | NX | FE5 | 97.9° | 97.9° |
| S5A | FE7 | S4B | MO1 | 156.0° | 156.0° |
| S5A | FE7 | S4B | FE5 | 126.4° | 126.4° |
| S5A | FE7 | S3B | MO1 | 156.3° | 156.3° |
| S5A | FE7 | S3B | FE6 | 127.7° | 127.7° |
| S5A | FE7 | NX | FE6 | 138.2° | 138.2° |
| S5A | FE7 | NX | FE2 | 75.2° | 75.2° |
| S5A | FE7 | NX | FE5 | 139.0° | 139.0° |
| NX | FE7 | S4B | MO1 | 92.0° | 92.0° |
| NX | FE7 | S3B | MO1 | 90.5° | 90.5° |
| FE7 | NX | FE6 | S1B | 99.1° | 99.1° |
| FE7 | NX | FE5 | S1B | 95.6° | 95.6° |
| FE7 | NX | FE6 | S2B | 136.9° | 136.9° |
| FE7 | NX | FE6 | FE2 | 136.9° | 136.9° |
| FE7 | NX | FE6 | FE5 | 83.2° | 83.2° |
| FE7 | NX | FE2 | S2B | 63.3° | 63.3° |
| FE7 | NX | FE2 | FE5 | 128.0° | 128.0° |
| S4B | MO1 | S1B | S3B | 105.9° | 105.9° |
| S4B | MO1 | S1B | FE6 | 90.8° | 90.8° |
| MO1 | S4B | FE5 | S1B | 15.6° | 15.6° |
| S4B | MO1 | S3B | FE6 | 90.6° | 90.6° |
| MO1 | S4B | FE5 | NX | 91.4° | 91.4° |
| FE5 | S4B | MO1 | S3B | 90.9° | 90.9° |
| S4B | FE5 | S1B | FE6 | 91.3° | 91.3° |
| S4B | FE5 | S1B | NX | 106.4° | 106.4° |
| S4B | FE5 | NX | FE6 | 95.5° | 95.5° |
| S4B | FE5 | NX | FE2 | 159.0° | 159.0° |
| MO1 | S1B | FE6 | FE5 | 77.3° | 77.3° |
| MO1 | S1B | FE6 | S2B | 154.9° | 154.9° |
| S1B | MO1 | S3B | FE6 | 15.2° | 15.2° |
| MO1 | S1B | FE6 | NX | 91.6° | 91.6° |
| MO1 | S1B | FE5 | NX | 90.9° | 90.9° |
| S3B | MO1 | S1B | FE5 | 91.3° | 91.3° |
| MO1 | S3B | FE6 | S2B | 156.2° | 156.2° |
| MO1 | S3B | FE6 | NX | 89.9° | 89.9° |
| S1B | FE6 | S2B | S3B | 136.0° | 136.0° |
| S1B | FE6 | S2B | NX | 111.1° | 111.1° |
| S1B | FE6 | S3B | NX | 106.7° | 106.7° |
| S1B | FE6 | S2B | FE2 | 111.1° | 111.1° |
| S1B | FE6 | NX | FE2 | 124.0° | 124.0° |
| FE6 | S1B | FE5 | NX | 15.2° | 15.2° |
| FE5 | S1B | FE6 | S2B | 127.8° | 127.8° |
| FE5 | S1B | FE6 | S3B | 94.2° | 94.2° |
| S1B | FE5 | NX | FE2 | 47.7° | 47.7° |
| S2B | FE6 | S3B | NX | 113.8° | 113.8° |
| S2B | FE6 | NX | FE2 | 0.0° | 0.0° |
| S2B | FE6 | NX | FE5 | 139.9° | 139.9° |
| S3B | FE6 | S2B | FE2 | 112.9° | 112.9° |
| S3B | FE6 | NX | FE2 | 121.6° | 121.6° |
| S3B | FE6 | NX | FE5 | 98.5° | 98.5° |
| FE6 | NX | FE2 | FE5 | 64.7° | 64.7° |
| S2B | FE2 | NX | FE5 | 64.7° | 64.7° |
