CFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S3A | FE4 | sing | 0.00Å | 0.00Å | |
| S3A | FE5 | sing | 114.59Å | 114.59Å | |
| FE4 | S1A | sing | 0.00Å | 0.00Å | |
| FE4 | S4A | sing | 0.00Å | 0.00Å | |
| FE4 | NX | sing | 114.06Å | 114.06Å | |
| S1A | FE2 | sing | 115.10Å | 115.10Å | |
| S1A | FE1 | sing | 114.63Å | 114.63Å | |
| S4A | FE3 | sing | 0.00Å | 0.00Å | |
| S4A | FE1 | sing | 114.63Å | 114.63Å | |
| FE3 | S2A | sing | 113.57Å | 113.57Å | |
| FE3 | S5A | sing | 110.78Å | 110.78Å | |
| FE3 | NX | sing | 114.06Å | 114.06Å | |
| S2A | FE2 | sing | 2.24Å | 2.24Å | |
| S2A | FE1 | sing | 2.26Å | 2.26Å | |
| FE7 | S4B | sing | 2.21Å | 2.21Å | |
| FE7 | S3B | sing | 2.25Å | 2.25Å | |
| FE7 | S5A | sing | 2.22Å | 2.22Å | |
| FE7 | NX | sing | 2.01Å | 2.01Å | |
| S4B | MO1 | sing | 2.33Å | 2.33Å | |
| S4B | FE5 | sing | 2.24Å | 2.24Å | |
| MO1 | S1B | sing | 2.34Å | 2.34Å | |
| MO1 | S3B | sing | 2.36Å | 2.36Å | |
| S1B | FE6 | sing | 2.23Å | 2.23Å | |
| S1B | FE5 | sing | 2.26Å | 2.26Å | |
| FE6 | S2B | sing | 2.17Å | 2.17Å | |
| FE6 | S3B | sing | 2.21Å | 2.21Å | |
| FE6 | NX | sing | 2.06Å | 2.06Å | |
| FE2 | S2B | sing | 2.22Å | 2.22Å | |
| FE2 | NX | sing | 1.99Å | 1.99Å | |
| FE5 | NX | sing | 2.03Å | 2.03Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE4 | S3A | FE5 | 90.0° | 90.0° |
| S3A | FE4 | S1A | 90.0° | 90.0° |
| S3A | FE4 | S4A | 90.0° | 90.0° |
| S3A | FE4 | NX | 90.0° | 90.0° |
| S3A | FE5 | S4B | 27.8° | 27.8° |
| S3A | FE5 | S1B | 121.9° | 121.9° |
| S3A | FE5 | NX | 74.3° | 74.3° |
| S1A | FE4 | S4A | 90.0° | 90.0° |
| S1A | FE4 | NX | 90.0° | 90.0° |
| FE4 | S1A | FE2 | 90.0° | 90.0° |
| FE4 | S1A | FE1 | 90.0° | 90.0° |
| S4A | FE4 | NX | 90.0° | 90.0° |
| FE4 | S4A | FE3 | 90.0° | 90.0° |
| FE4 | S4A | FE1 | 90.0° | 90.0° |
| FE4 | NX | FE3 | 0.0° | 0.0° |
| FE4 | NX | FE7 | 34.0° | 34.0° |
| FE4 | NX | FE6 | 106.7° | 106.7° |
| FE4 | NX | FE2 | 121.0° | 121.0° |
| FE4 | NX | FE5 | 104.7° | 104.7° |
| FE2 | S1A | FE1 | 1.3° | 1.3° |
| S1A | FE2 | S2A | 46.6° | 46.6° |
| S1A | FE2 | S2B | 107.4° | 107.4° |
| S1A | FE2 | NX | 58.1° | 58.1° |
| S1A | FE1 | S4A | NaN° | NaN° |
| S1A | FE1 | S2A | 61.3° | 61.3° |
| FE3 | S4A | FE1 | 90.0° | 90.0° |
| S4A | FE3 | S2A | 90.0° | 90.0° |
| S4A | FE3 | S5A | 90.0° | 90.0° |
| S4A | FE3 | NX | 90.0° | 90.0° |
| S4A | FE1 | S2A | 61.3° | 61.3° |
| S2A | FE3 | S5A | 1.4° | 1.4° |
| S2A | FE3 | NX | 1.6° | 1.6° |
| FE3 | S2A | FE2 | 132.6° | 132.6° |
| FE3 | S2A | FE1 | 117.6° | 117.6° |
| S5A | FE3 | NX | 0.2° | 0.2° |
| FE3 | S5A | FE7 | 136.3° | 136.3° |
| FE3 | NX | FE7 | 34.0° | 34.0° |
| FE3 | NX | FE6 | 106.7° | 106.7° |
| FE3 | NX | FE2 | 121.0° | 121.0° |
| FE3 | NX | FE5 | 104.7° | 104.7° |
| FE2 | S2A | FE1 | 72.7° | 72.7° |
| S2A | FE2 | S2B | 118.5° | 118.5° |
| S2A | FE2 | NX | 99.9° | 99.9° |
| S4B | FE7 | S3B | 109.9° | 109.9° |
| S4B | FE7 | S5A | 118.0° | 118.0° |
| S4B | FE7 | NX | 102.4° | 102.4° |
| FE7 | S4B | MO1 | 72.5° | 72.5° |
| FE7 | S4B | FE5 | 72.2° | 72.2° |
| S3B | FE7 | S5A | 118.2° | 118.2° |
| S3B | FE7 | NX | 102.7° | 102.7° |
| FE7 | S3B | MO1 | 71.4° | 71.4° |
| FE7 | S3B | FE6 | 71.1° | 71.1° |
| S5A | FE7 | NX | 102.7° | 102.7° |
| FE7 | NX | FE6 | 79.1° | 79.1° |
| FE7 | NX | FE2 | 134.2° | 134.2° |
| FE7 | NX | FE5 | 80.7° | 80.7° |
| MO1 | S4B | FE5 | 73.2° | 73.2° |
| S4B | MO1 | S1B | 102.4° | 102.4° |
| S4B | MO1 | S3B | 102.2° | 102.2° |
| S4B | FE5 | S1B | 108.1° | 108.1° |
| S4B | FE5 | NX | 100.7° | 100.7° |
| S1B | MO1 | S3B | 102.1° | 102.1° |
| MO1 | S1B | FE6 | 71.5° | 71.5° |
| MO1 | S1B | FE5 | 72.6° | 72.6° |
| MO1 | S3B | FE6 | 71.6° | 71.6° |
| FE6 | S1B | FE5 | 71.6° | 71.6° |
| S1B | FE6 | S2B | 118.7° | 118.7° |
| S1B | FE6 | S3B | 110.4° | 110.4° |
| S1B | FE6 | NX | 102.3° | 102.3° |
| S1B | FE5 | NX | 102.1° | 102.1° |
| S2B | FE6 | S3B | 116.0° | 116.0° |
| S2B | FE6 | NX | 104.2° | 104.2° |
| FE6 | S2B | FE2 | 71.9° | 71.9° |
| S3B | FE6 | NX | 102.6° | 102.6° |
| FE6 | NX | FE2 | 79.0° | 79.0° |
| FE6 | NX | FE5 | 80.2° | 80.2° |
| S2B | FE2 | NX | 104.9° | 104.9° |
| FE2 | NX | FE5 | 133.4° | 133.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S3A | FE4 | S1A | S4A | 90.0° | 90.0° |
| S3A | FE4 | S1A | NX | 90.0° | 90.0° |
| S3A | FE4 | S4A | NX | 90.0° | 90.0° |
| S3A | FE4 | S1A | FE2 | 90.0° | 90.0° |
| S3A | FE4 | S1A | FE1 | 90.0° | 90.0° |
| S3A | FE4 | S4A | FE3 | 90.0° | 90.0° |
| S3A | FE4 | S4A | FE1 | 90.0° | 90.0° |
| S3A | FE4 | NX | FE3 | 90.0° | 90.0° |
| S3A | FE4 | NX | FE7 | 90.0° | 90.0° |
| FE4 | S3A | FE5 | S4B | 90.0° | 90.0° |
| FE4 | S3A | FE5 | S1B | 90.0° | 90.0° |
| S3A | FE4 | NX | FE6 | 90.0° | 90.0° |
| S3A | FE4 | NX | FE2 | 90.0° | 90.0° |
| FE4 | S3A | FE5 | NX | 90.0° | 90.0° |
| FE5 | S3A | FE4 | S1A | 90.0° | 90.0° |
| FE5 | S3A | FE4 | S4A | 90.0° | 90.0° |
| S3A | FE5 | NX | FE3 | 0.0° | 0.0° |
| S3A | FE5 | S4B | FE7 | 33.0° | 33.0° |
| S3A | FE5 | NX | FE7 | 24.3° | 24.3° |
| S3A | FE5 | S4B | MO1 | 109.6° | 109.6° |
| S3A | FE5 | S4B | S1B | 125.0° | 125.0° |
| S3A | FE5 | S4B | NX | 18.3° | 18.3° |
| S3A | FE5 | S1B | MO1 | 11.4° | 11.4° |
| S3A | FE5 | S1B | FE6 | 64.4° | 64.4° |
| S3A | FE5 | S1B | NX | 79.0° | 79.0° |
| S3A | FE5 | NX | FE6 | 104.8° | 104.8° |
| S3A | FE5 | NX | FE2 | 169.2° | 169.2° |
| S1A | FE4 | S4A | NX | 90.0° | 90.0° |
| FE4 | S1A | FE2 | FE1 | 90.0° | 90.0° |
| S1A | FE4 | S4A | FE3 | 90.0° | 90.0° |
| S1A | FE4 | S4A | FE1 | 90.0° | 90.0° |
| S1A | FE4 | NX | FE3 | 90.0° | 90.0° |
| FE4 | S1A | FE2 | S2A | 90.0° | 90.0° |
| FE4 | S1A | FE1 | S2A | 90.0° | 90.0° |
| S1A | FE4 | NX | FE7 | 90.0° | 90.0° |
| S1A | FE4 | NX | FE6 | 90.0° | 90.0° |
| FE4 | S1A | FE2 | S2B | 90.0° | 90.0° |
| S1A | FE4 | NX | FE2 | 90.0° | 90.0° |
| S1A | FE4 | NX | FE5 | 90.0° | 90.0° |
| S4A | FE4 | S1A | FE2 | 90.0° | 90.0° |
| FE4 | S4A | FE3 | FE1 | 90.0° | 90.0° |
| FE4 | S4A | FE3 | S2A | 90.0° | 90.0° |
| FE4 | S4A | FE3 | S5A | 90.0° | 90.0° |
| S4A | FE4 | NX | FE3 | 90.0° | 90.0° |
| FE4 | S4A | FE1 | S2A | 90.0° | 90.0° |
| S4A | FE4 | NX | FE7 | 90.0° | 90.0° |
| S4A | FE4 | NX | FE6 | 90.0° | 90.0° |
| S4A | FE4 | NX | FE2 | 90.0° | 90.0° |
| S4A | FE4 | NX | FE5 | 90.0° | 90.0° |
| NX | FE4 | S1A | FE1 | 90.0° | 90.0° |
| NX | FE4 | S4A | FE1 | 90.0° | 90.0° |
| FE4 | NX | FE3 | S2A | 90.0° | 90.0° |
| FE4 | NX | FE3 | S5A | 90.0° | 90.0° |
| FE4 | NX | FE3 | FE7 | 90.0° | 90.0° |
| FE4 | NX | FE3 | FE6 | 90.0° | 90.0° |
| FE4 | NX | FE3 | FE2 | 90.0° | 90.0° |
| FE4 | NX | FE3 | FE5 | 90.0° | 90.0° |
| FE4 | NX | FE2 | S2A | 21.7° | 21.7° |
| FE4 | NX | FE7 | S4B | 118.7° | 118.7° |
| FE4 | NX | FE7 | S3B | 127.3° | 127.3° |
| FE4 | NX | FE7 | S5A | 4.1° | 4.1° |
| FE4 | NX | FE7 | FE6 | 143.8° | 143.8° |
| FE4 | NX | FE7 | FE2 | 81.0° | 81.0° |
| FE4 | NX | FE7 | FE5 | 134.6° | 134.6° |
| FE4 | NX | FE5 | S4B | 8.7° | 8.7° |
| FE4 | NX | FE6 | S1B | 118.0° | 118.0° |
| FE4 | NX | FE5 | S1B | 120.1° | 120.1° |
| FE4 | NX | FE6 | S2B | 117.9° | 117.9° |
| FE4 | NX | FE6 | S3B | 3.5° | 3.5° |
| FE4 | NX | FE6 | FE2 | 119.3° | 119.3° |
| FE4 | NX | FE6 | FE5 | 102.5° | 102.5° |
| FE4 | NX | FE2 | S2B | 101.5° | 101.5° |
| FE4 | NX | FE2 | FE5 | 167.8° | 167.8° |
| FE2 | S1A | FE1 | S4A | 90.0° | 90.0° |
| S1A | FE2 | S2A | FE3 | NaN° | NaN° |
| S1A | FE2 | NX | FE3 | NaN° | NaN° |
| S1A | FE2 | S2A | S2B | 87.4° | 87.4° |
| S1A | FE2 | S2A | NX | 25.6° | 25.6° |
| FE2 | S1A | FE1 | S2A | 38.9° | 38.9° |
| S1A | FE2 | NX | FE7 | 40.1° | 40.1° |
| S1A | FE2 | S2B | FE6 | 62.1° | 62.1° |
| S1A | FE2 | NX | FE6 | 102.9° | 102.9° |
| S1A | FE2 | S2B | NX | 60.7° | 60.7° |
| S1A | FE2 | NX | FE5 | 167.8° | 167.8° |
| S1A | FE1 | S4A | FE3 | 90.0° | 90.0° |
| S1A | FE1 | S4A | S2A | 90.0° | 90.0° |
| S1A | FE1 | S2A | FE3 | 0.0° | 0.0° |
| FE1 | S1A | FE2 | S2B | 162.7° | 162.7° |
| FE1 | S1A | FE2 | NX | 100.2° | 100.2° |
| S4A | FE3 | S2A | S5A | 90.0° | 90.0° |
| S4A | FE3 | S2A | NX | 90.0° | 90.0° |
| S4A | FE3 | S5A | NX | 90.0° | 90.0° |
| S4A | FE3 | S2A | FE2 | 90.0° | 90.0° |
| FE3 | S4A | FE1 | S2A | 90.0° | 90.0° |
| S4A | FE3 | S5A | FE7 | 90.0° | 90.0° |
| S4A | FE3 | NX | FE7 | 90.0° | 90.0° |
| S4A | FE3 | NX | FE6 | 90.0° | 90.0° |
| S4A | FE3 | NX | FE2 | 90.0° | 90.0° |
| S4A | FE3 | NX | FE5 | 90.0° | 90.0° |
| FE1 | S4A | FE3 | S5A | 90.0° | 90.0° |
| FE1 | S4A | FE3 | NX | 90.0° | 90.0° |
| S4A | FE1 | S2A | FE2 | 129.5° | 129.5° |
| S2A | FE3 | S5A | NX | 157.8° | 157.8° |
| FE3 | S2A | FE2 | FE1 | 112.0° | 112.0° |
| S2A | FE3 | S5A | FE7 | 142.1° | 142.1° |
| S2A | FE3 | NX | FE7 | 139.1° | 139.1° |
| S2A | FE3 | NX | FE6 | 101.8° | 101.8° |
| FE3 | S2A | FE2 | S2B | 87.4° | 87.4° |
| S2A | FE3 | NX | FE2 | 14.8° | 14.8° |
| S2A | FE3 | NX | FE5 | 174.3° | 174.3° |
| S5A | FE3 | S2A | FE2 | 18.2° | 18.2° |
| S5A | FE3 | S2A | FE1 | 73.3° | 73.3° |
| FE3 | S5A | FE7 | S4B | 64.9° | 64.9° |
| FE3 | S5A | FE7 | S3B | 71.3° | 71.3° |
| S5A | FE3 | NX | FE7 | 158.3° | 158.3° |
| S5A | FE3 | NX | FE6 | 121.0° | 121.0° |
| S5A | FE3 | NX | FE2 | 34.0° | 34.0° |
| S5A | FE3 | NX | FE5 | 155.1° | 155.1° |
| NX | FE3 | S2A | FE1 | 76.2° | 76.2° |
| FE3 | NX | FE7 | S4B | 118.7° | 118.7° |
| FE3 | NX | FE7 | S3B | 127.3° | 127.3° |
| FE3 | NX | FE7 | FE6 | 143.8° | 143.8° |
| FE3 | NX | FE7 | FE2 | 81.0° | 81.0° |
| FE3 | NX | FE7 | FE5 | 134.6° | 134.6° |
| FE3 | NX | FE5 | S4B | 8.7° | 8.7° |
| FE3 | NX | FE6 | S1B | 118.0° | 118.0° |
| FE3 | NX | FE5 | S1B | 120.1° | 120.1° |
| FE3 | NX | FE6 | S2B | 117.9° | 117.9° |
| FE3 | NX | FE6 | S3B | 3.5° | 3.5° |
| FE3 | NX | FE6 | FE2 | 119.3° | 119.3° |
| FE3 | NX | FE6 | FE5 | 102.5° | 102.5° |
| FE3 | NX | FE2 | S2B | 101.5° | 101.5° |
| FE3 | NX | FE2 | FE5 | 167.8° | 167.8° |
| S2A | FE2 | NX | FE7 | 61.8° | 61.8° |
| S2A | FE2 | S2B | FE6 | 111.7° | 111.7° |
| S2A | FE2 | NX | FE6 | 124.6° | 124.6° |
| S2A | FE2 | S2B | NX | 110.2° | 110.2° |
| S2A | FE2 | NX | FE5 | 170.5° | 170.5° |
| FE1 | S2A | FE2 | S2B | 160.6° | 160.6° |
| FE1 | S2A | FE2 | NX | 86.4° | 86.4° |
| S4B | FE7 | S3B | S5A | 139.5° | 139.5° |
| S4B | FE7 | S3B | NX | 108.4° | 108.4° |
| S4B | FE7 | S5A | NX | 111.6° | 111.6° |
| FE7 | S4B | MO1 | FE5 | 76.1° | 76.1° |
| FE7 | S4B | MO1 | S1B | 90.5° | 90.5° |
| S4B | FE7 | S3B | MO1 | 16.2° | 16.2° |
| FE7 | S4B | FE5 | S1B | 92.0° | 92.0° |
| S4B | FE7 | S3B | FE6 | 92.5° | 92.5° |
| S4B | FE7 | NX | FE6 | 97.5° | 97.5° |
| S4B | FE7 | NX | FE2 | 160.3° | 160.3° |
| S4B | FE7 | NX | FE5 | 15.9° | 15.9° |
| S3B | FE7 | S5A | NX | 112.1° | 112.1° |
| S3B | FE7 | S4B | FE5 | 93.7° | 93.7° |
| FE7 | S3B | MO1 | S1B | 91.0° | 91.0° |
| FE7 | S3B | MO1 | FE6 | 75.6° | 75.6° |
| FE7 | S3B | FE6 | S1B | 92.9° | 92.9° |
| FE7 | S3B | FE6 | S2B | 128.4° | 128.4° |
| S3B | FE7 | NX | FE6 | 16.4° | 16.4° |
| S3B | FE7 | NX | FE2 | 46.3° | 46.3° |
| S3B | FE7 | NX | FE5 | 98.1° | 98.1° |
| S5A | FE7 | S4B | MO1 | 155.9° | 155.9° |
| S5A | FE7 | S4B | FE5 | 126.7° | 126.7° |
| S5A | FE7 | S3B | MO1 | 155.7° | 155.7° |
| S5A | FE7 | S3B | FE6 | 127.9° | 127.9° |
| S5A | FE7 | NX | FE6 | 139.6° | 139.6° |
| S5A | FE7 | NX | FE2 | 76.9° | 76.9° |
| S5A | FE7 | NX | FE5 | 138.7° | 138.7° |
| NX | FE7 | S4B | MO1 | 92.3° | 92.3° |
| NX | FE7 | S3B | MO1 | 92.2° | 92.2° |
| FE7 | NX | FE6 | S1B | 97.8° | 97.8° |
| FE7 | NX | FE5 | S1B | 95.8° | 95.8° |
| FE7 | NX | FE6 | S2B | 138.0° | 138.0° |
| FE7 | NX | FE6 | FE2 | 139.5° | 139.5° |
| FE7 | NX | FE6 | FE5 | 82.3° | 82.3° |
| FE7 | NX | FE2 | S2B | 61.3° | 61.3° |
| FE7 | NX | FE2 | FE5 | 127.7° | 127.7° |
| S4B | MO1 | S1B | S3B | 105.5° | 105.5° |
| S4B | MO1 | S1B | FE6 | 90.3° | 90.3° |
| MO1 | S4B | FE5 | S1B | 15.4° | 15.4° |
| S4B | MO1 | S3B | FE6 | 90.3° | 90.3° |
| MO1 | S4B | FE5 | NX | 91.3° | 91.3° |
| FE5 | S4B | MO1 | S3B | 91.0° | 91.0° |
| S4B | FE5 | S1B | FE6 | 91.1° | 91.1° |
| S4B | FE5 | S1B | NX | 105.7° | 105.7° |
| S4B | FE5 | NX | FE6 | 96.1° | 96.1° |
| S4B | FE5 | NX | FE2 | 160.5° | 160.5° |
| MO1 | S1B | FE6 | FE5 | 77.2° | 77.2° |
| MO1 | S1B | FE6 | S2B | 154.5° | 154.5° |
| S1B | MO1 | S3B | FE6 | 15.4° | 15.4° |
| MO1 | S1B | FE6 | NX | 91.6° | 91.6° |
| MO1 | S1B | FE5 | NX | 90.3° | 90.3° |
| S3B | MO1 | S1B | FE5 | 91.2° | 91.2° |
| MO1 | S3B | FE6 | S2B | 155.6° | 155.6° |
| MO1 | S3B | FE6 | NX | 91.5° | 91.5° |
| S1B | FE6 | S2B | S3B | 135.2° | 135.2° |
| S1B | FE6 | S2B | NX | 112.8° | 112.8° |
| S1B | FE6 | S3B | NX | 108.4° | 108.4° |
| S1B | FE6 | S2B | FE2 | 111.5° | 111.5° |
| S1B | FE6 | NX | FE2 | 122.7° | 122.7° |
| FE6 | S1B | FE5 | NX | 14.6° | 14.6° |
| FE5 | S1B | FE6 | S2B | 128.3° | 128.3° |
| FE5 | S1B | FE6 | S3B | 94.2° | 94.2° |
| S1B | FE5 | NX | FE2 | 49.1° | 49.1° |
| S2B | FE6 | S3B | NX | 112.9° | 112.9° |
| S2B | FE6 | NX | FE2 | 1.5° | 1.5° |
| S2B | FE6 | NX | FE5 | 139.6° | 139.6° |
| S3B | FE6 | S2B | FE2 | 113.3° | 113.3° |
| S3B | FE6 | NX | FE2 | 122.8° | 122.8° |
| S3B | FE6 | NX | FE5 | 99.0° | 99.0° |
| FE6 | NX | FE2 | FE5 | 64.9° | 64.9° |
| S2B | FE2 | NX | FE5 | 66.3° | 66.3° |
