D6N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FE1 | S1A | sing | 2.31Å | 2.31Å | |
| FE1 | S2A | sing | 2.24Å | 2.24Å | |
| FE1 | S4A | sing | 2.33Å | 2.33Å | |
| S1A | FE2 | sing | 2.24Å | 2.24Å | |
| S1A | FE4 | sing | 2.32Å | 2.32Å | |
| S2A | FE2 | sing | 2.28Å | 2.28Å | |
| S2A | FE3 | sing | 2.27Å | 2.27Å | |
| S4A | FE3 | sing | 2.28Å | 2.28Å | |
| S4A | FE4 | sing | 2.32Å | 2.32Å | |
| FE2 | CX | sing | 2.02Å | 2.02Å | |
| FE2 | N2B | sing | 2.01Å | 2.01Å | |
| FE3 | CX | sing | 2.00Å | 2.00Å | |
| FE3 | S5A | sing | 2.23Å | 2.23Å | |
| FE4 | CX | sing | 2.03Å | 2.03Å | |
| CX | FE5 | sing | 2.06Å | 2.06Å | |
| CX | FE6 | sing | 2.03Å | 2.03Å | |
| CX | FE7 | sing | 1.97Å | 1.97Å | |
| S5A | FE7 | sing | 2.24Å | 2.24Å | |
| FE5 | S1B | sing | 2.28Å | 2.28Å | |
| FE5 | S4B | sing | 2.26Å | 2.26Å | |
| FE6 | S1B | sing | 2.24Å | 2.24Å | |
| FE6 | S3B | sing | 2.22Å | 2.22Å | |
| FE6 | N2B | sing | 2.01Å | 2.01Å | |
| FE7 | S3B | sing | 2.28Å | 2.28Å | |
| FE7 | S4B | sing | 2.22Å | 2.22Å | |
| S1B | V1 | sing | 2.35Å | 2.35Å | |
| S3B | V1 | sing | 2.37Å | 2.37Å | |
| S4B | V1 | sing | 2.31Å | 2.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1A | FE1 | S2A | 102.8° | 102.8° |
| S1A | FE1 | S4A | 110.5° | 110.5° |
| FE1 | S1A | FE2 | 72.5° | 72.5° |
| FE1 | S1A | FE4 | 68.1° | 68.1° |
| S2A | FE1 | S4A | 104.5° | 104.5° |
| FE1 | S2A | FE2 | 73.0° | 73.0° |
| FE1 | S2A | FE3 | 72.6° | 72.6° |
| FE1 | S4A | FE3 | 71.0° | 71.0° |
| FE1 | S4A | FE4 | 67.8° | 67.8° |
| FE2 | S1A | FE4 | 70.4° | 70.4° |
| S1A | FE2 | S2A | 103.9° | 103.9° |
| S1A | FE2 | CX | 104.3° | 104.3° |
| S1A | FE2 | N2B | 122.1° | 122.1° |
| S1A | FE4 | S4A | 110.3° | 110.3° |
| S1A | FE4 | CX | 101.1° | 101.1° |
| FE2 | S2A | FE3 | 70.9° | 70.9° |
| S2A | FE2 | CX | 102.1° | 102.1° |
| S2A | FE2 | N2B | 122.4° | 122.4° |
| S2A | FE3 | S4A | 105.0° | 105.0° |
| S2A | FE3 | CX | 103.1° | 103.1° |
| S2A | FE3 | S5A | 118.3° | 118.3° |
| FE3 | S4A | FE4 | 70.1° | 70.1° |
| S4A | FE3 | CX | 103.1° | 103.1° |
| S4A | FE3 | S5A | 121.2° | 121.2° |
| S4A | FE4 | CX | 100.6° | 100.6° |
| CX | FE2 | N2B | 98.2° | 98.2° |
| FE2 | CX | FE3 | 82.1° | 82.1° |
| FE2 | CX | FE4 | 80.9° | 80.9° |
| FE2 | CX | FE5 | 135.0° | 135.0° |
| FE2 | CX | FE6 | 81.4° | 81.4° |
| FE2 | CX | FE7 | 133.4° | 133.4° |
| FE2 | N2B | FE6 | 82.2° | 82.2° |
| CX | FE3 | S5A | 103.5° | 103.5° |
| FE3 | CX | FE4 | 81.9° | 81.9° |
| FE3 | CX | FE5 | 138.3° | 138.3° |
| FE3 | CX | FE6 | 135.3° | 135.3° |
| FE3 | CX | FE7 | 81.6° | 81.6° |
| FE3 | S5A | FE7 | 71.0° | 71.0° |
| FE4 | CX | FE5 | 86.0° | 86.0° |
| FE4 | CX | FE6 | 135.3° | 135.3° |
| FE4 | CX | FE7 | 138.6° | 138.6° |
| FE5 | CX | FE6 | 78.3° | 78.3° |
| FE5 | CX | FE7 | 81.7° | 81.7° |
| CX | FE5 | S1B | 103.4° | 103.4° |
| CX | FE5 | S4B | 98.6° | 98.6° |
| FE6 | CX | FE7 | 80.2° | 80.2° |
| CX | FE6 | S1B | 105.8° | 105.8° |
| CX | FE6 | S3B | 103.3° | 103.3° |
| CX | FE6 | N2B | 98.1° | 98.1° |
| CX | FE7 | S5A | 103.9° | 103.9° |
| CX | FE7 | S3B | 103.3° | 103.3° |
| CX | FE7 | S4B | 102.6° | 102.6° |
| S5A | FE7 | S3B | 117.6° | 117.6° |
| S5A | FE7 | S4B | 119.8° | 119.8° |
| S1B | FE5 | S4B | 109.0° | 109.0° |
| FE5 | S1B | FE6 | 69.8° | 69.8° |
| FE5 | S1B | V1 | 71.5° | 71.5° |
| FE5 | S4B | FE7 | 72.1° | 72.1° |
| FE5 | S4B | V1 | 72.6° | 72.6° |
| S1B | FE6 | S3B | 105.8° | 105.8° |
| S1B | FE6 | N2B | 123.6° | 123.6° |
| FE6 | S1B | V1 | 74.8° | 74.8° |
| S3B | FE6 | N2B | 117.3° | 117.3° |
| FE6 | S3B | FE7 | 70.0° | 70.0° |
| FE6 | S3B | V1 | 74.7° | 74.7° |
| S3B | FE7 | S4B | 107.1° | 107.1° |
| FE7 | S3B | V1 | 73.0° | 73.0° |
| FE7 | S4B | V1 | 75.1° | 75.1° |
| S1B | V1 | S3B | 97.7° | 97.7° |
| S1B | V1 | S4B | 104.7° | 104.7° |
| S3B | V1 | S4B | 101.1° | 101.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1A | FE1 | S2A | S4A | 115.4° | 115.4° |
| FE1 | S1A | FE2 | FE4 | 72.3° | 72.3° |
| S1A | FE1 | S2A | FE2 | 20.8° | 20.8° |
| S1A | FE1 | S2A | FE3 | 95.5° | 95.5° |
| S1A | FE1 | S4A | FE3 | 89.9° | 89.9° |
| S1A | FE1 | S4A | FE4 | 14.3° | 14.3° |
| FE1 | S1A | FE2 | CX | 85.7° | 85.7° |
| FE1 | S1A | FE2 | N2B | 164.8° | 164.8° |
| FE1 | S1A | FE4 | CX | 91.6° | 91.6° |
| S2A | FE1 | S1A | FE4 | 96.7° | 96.7° |
| FE1 | S2A | FE2 | FE3 | 77.0° | 77.0° |
| S2A | FE1 | S4A | FE3 | 20.1° | 20.1° |
| S2A | FE1 | S4A | FE4 | 95.7° | 95.7° |
| FE1 | S2A | FE2 | CX | 86.6° | 86.6° |
| FE1 | S2A | FE2 | N2B | 165.3° | 165.3° |
| FE1 | S2A | FE3 | CX | 87.3° | 87.3° |
| FE1 | S2A | FE3 | S5A | 159.3° | 159.3° |
| S4A | FE1 | S1A | FE2 | 89.7° | 89.7° |
| S4A | FE1 | S2A | FE2 | 94.7° | 94.7° |
| FE1 | S4A | FE3 | FE4 | 72.5° | 72.5° |
| FE1 | S4A | FE3 | CX | 87.9° | 87.9° |
| FE1 | S4A | FE3 | S5A | 157.2° | 157.2° |
| FE1 | S4A | FE4 | CX | 91.9° | 91.9° |
| S1A | FE2 | S2A | CX | 108.3° | 108.3° |
| S1A | FE2 | S2A | N2B | 143.7° | 143.7° |
| S1A | FE2 | S2A | FE3 | 98.7° | 98.7° |
| FE2 | S1A | FE4 | S4A | 92.7° | 92.7° |
| S1A | FE2 | CX | N2B | 126.2° | 126.2° |
| S1A | FE2 | CX | FE3 | 97.6° | 97.6° |
| FE2 | S1A | FE4 | CX | 13.1° | 13.1° |
| S1A | FE2 | CX | FE5 | 60.4° | 60.4° |
| S1A | FE2 | CX | FE6 | 124.2° | 124.2° |
| S1A | FE2 | CX | FE7 | 168.1° | 168.1° |
| S1A | FE2 | N2B | FE6 | 110.6° | 110.6° |
| FE4 | S1A | FE2 | S2A | 93.3° | 93.3° |
| S1A | FE4 | S4A | FE3 | 91.2° | 91.2° |
| S1A | FE4 | S4A | CX | 106.2° | 106.2° |
| FE4 | S1A | FE2 | N2B | 122.9° | 122.9° |
| S1A | FE4 | CX | FE3 | 97.1° | 97.1° |
| S1A | FE4 | CX | FE5 | 122.9° | 122.9° |
| S1A | FE4 | CX | FE6 | 54.0° | 54.0° |
| S1A | FE4 | CX | FE7 | 164.5° | 164.5° |
| FE2 | S2A | FE3 | S4A | 97.9° | 97.9° |
| S2A | FE2 | CX | N2B | 125.8° | 125.8° |
| FE2 | S2A | FE3 | CX | 9.7° | 9.7° |
| FE2 | S2A | FE3 | S5A | 123.2° | 123.2° |
| S2A | FE2 | CX | FE4 | 93.4° | 93.4° |
| S2A | FE2 | CX | FE5 | 168.4° | 168.4° |
| S2A | FE2 | CX | FE6 | 127.8° | 127.8° |
| S2A | FE2 | CX | FE7 | 60.1° | 60.1° |
| S2A | FE2 | N2B | FE6 | 112.2° | 112.2° |
| S2A | FE3 | S4A | CX | 107.7° | 107.7° |
| S2A | FE3 | S4A | S5A | 137.4° | 137.4° |
| S2A | FE3 | S4A | FE4 | 92.3° | 92.3° |
| FE3 | S2A | FE2 | N2B | 117.7° | 117.7° |
| S2A | FE3 | CX | S5A | 123.8° | 123.8° |
| S2A | FE3 | CX | FE4 | 92.4° | 92.4° |
| S2A | FE3 | CX | FE5 | 167.0° | 167.0° |
| S2A | FE3 | CX | FE6 | 58.8° | 58.8° |
| S2A | FE3 | CX | FE7 | 125.7° | 125.7° |
| S2A | FE3 | S5A | FE7 | 114.9° | 114.9° |
| S4A | FE3 | CX | FE2 | 98.6° | 98.6° |
| S4A | FE3 | CX | S5A | 127.0° | 127.0° |
| FE3 | S4A | FE4 | CX | 15.0° | 15.0° |
| S4A | FE3 | CX | FE5 | 57.9° | 57.9° |
| S4A | FE3 | CX | FE6 | 167.9° | 167.9° |
| S4A | FE3 | CX | FE7 | 125.2° | 125.2° |
| S4A | FE3 | S5A | FE7 | 113.0° | 113.0° |
| S4A | FE4 | CX | FE2 | 99.5° | 99.5° |
| FE4 | S4A | FE3 | S5A | 130.2° | 130.2° |
| S4A | FE4 | CX | FE5 | 123.7° | 123.7° |
| S4A | FE4 | CX | FE6 | 167.4° | 167.4° |
| S4A | FE4 | CX | FE7 | 51.1° | 51.1° |
| FE2 | CX | FE3 | FE4 | 81.9° | 81.9° |
| FE2 | CX | FE3 | FE5 | 156.5° | 156.5° |
| FE2 | CX | FE3 | FE6 | 69.3° | 69.3° |
| FE2 | CX | FE3 | FE7 | 136.2° | 136.2° |
| FE2 | CX | FE3 | S5A | 134.3° | 134.3° |
| FE2 | CX | FE4 | FE5 | 136.8° | 136.8° |
| FE2 | CX | FE4 | FE6 | 67.9° | 67.9° |
| FE2 | CX | FE4 | FE7 | 150.6° | 150.6° |
| FE2 | CX | FE5 | FE6 | 65.0° | 65.0° |
| FE2 | CX | FE5 | FE7 | 146.7° | 146.7° |
| FE2 | CX | FE6 | FE7 | 137.0° | 137.0° |
| FE2 | CX | FE7 | S5A | 68.9° | 68.9° |
| FE2 | CX | FE5 | S1B | 52.1° | 52.1° |
| FE2 | CX | FE5 | S4B | 164.0° | 164.0° |
| FE2 | CX | FE6 | S1B | 126.3° | 126.3° |
| FE2 | CX | FE6 | S3B | 122.8° | 122.8° |
| CX | FE2 | N2B | FE6 | 2.1° | 2.1° |
| FE2 | CX | FE7 | S3B | 54.4° | 54.4° |
| FE2 | CX | FE7 | S4B | 165.6° | 165.6° |
| N2B | FE2 | CX | FE3 | 136.2° | 136.2° |
| N2B | FE2 | CX | FE4 | 140.8° | 140.8° |
| N2B | FE2 | CX | FE5 | 65.9° | 65.9° |
| N2B | FE2 | CX | FE7 | 65.7° | 65.7° |
| FE2 | N2B | FE6 | S1B | 113.1° | 113.1° |
| FE2 | N2B | FE6 | S3B | 111.7° | 111.7° |
| FE3 | CX | FE4 | FE5 | 139.9° | 139.9° |
| FE3 | CX | FE4 | FE6 | 151.2° | 151.2° |
| FE3 | CX | FE4 | FE7 | 67.3° | 67.3° |
| FE3 | CX | FE5 | FE6 | 149.0° | 149.0° |
| FE3 | CX | FE5 | FE7 | 67.3° | 67.3° |
| FE3 | CX | FE6 | FE7 | 67.4° | 67.4° |
| CX | FE3 | S5A | FE7 | 1.7° | 1.7° |
| FE3 | CX | FE5 | S1B | 161.9° | 161.9° |
| FE3 | CX | FE5 | S4B | 49.9° | 49.9° |
| FE3 | CX | FE6 | S1B | 164.1° | 164.1° |
| FE3 | CX | FE6 | S3B | 53.2° | 53.2° |
| FE3 | CX | FE6 | N2B | 67.5° | 67.5° |
| FE3 | CX | FE7 | S3B | 125.1° | 125.1° |
| FE3 | CX | FE7 | S4B | 123.7° | 123.7° |
| S5A | FE3 | CX | FE4 | 143.8° | 143.8° |
| S5A | FE3 | CX | FE5 | 69.2° | 69.2° |
| S5A | FE3 | CX | FE6 | 65.0° | 65.0° |
| FE3 | S5A | FE7 | S3B | 115.1° | 115.1° |
| FE3 | S5A | FE7 | S4B | 112.0° | 112.0° |
| FE4 | CX | FE5 | FE6 | 137.9° | 137.9° |
| FE4 | CX | FE5 | FE7 | 140.4° | 140.4° |
| FE4 | CX | FE6 | FE7 | 155.3° | 155.3° |
| FE4 | CX | FE7 | S5A | 69.3° | 69.3° |
| FE4 | CX | FE5 | S1B | 125.0° | 125.0° |
| FE4 | CX | FE5 | S4B | 123.0° | 123.0° |
| FE4 | CX | FE6 | S1B | 58.6° | 58.6° |
| FE4 | CX | FE6 | S3B | 169.5° | 169.5° |
| FE4 | CX | FE6 | N2B | 69.8° | 69.8° |
| FE4 | CX | FE7 | S3B | 167.5° | 167.5° |
| FE4 | CX | FE7 | S4B | 56.2° | 56.2° |
| FE5 | CX | FE6 | FE7 | 83.5° | 83.5° |
| FE5 | CX | FE7 | S5A | 143.4° | 143.4° |
| CX | FE5 | S1B | S4B | 104.1° | 104.1° |
| FE5 | CX | FE6 | S1B | 13.3° | 13.3° |
| FE5 | CX | FE6 | S3B | 97.7° | 97.7° |
| FE5 | CX | FE6 | N2B | 141.7° | 141.7° |
| FE5 | CX | FE7 | S3B | 93.3° | 93.3° |
| FE5 | CX | FE7 | S4B | 17.9° | 17.9° |
| CX | FE5 | S1B | V1 | 92.3° | 92.3° |
| CX | FE5 | S4B | V1 | 95.5° | 95.5° |
| FE6 | CX | FE7 | S5A | 137.1° | 137.1° |
| FE6 | CX | FE5 | S4B | 99.1° | 99.1° |
| CX | FE6 | S1B | S3B | 109.2° | 109.2° |
| CX | FE6 | S1B | N2B | 111.4° | 111.4° |
| CX | FE6 | S3B | N2B | 106.6° | 106.6° |
| FE6 | CX | FE7 | S3B | 13.9° | 13.9° |
| FE6 | CX | FE7 | S4B | 97.4° | 97.4° |
| CX | FE6 | S1B | V1 | 88.0° | 88.0° |
| CX | FE6 | S3B | V1 | 90.0° | 90.0° |
| CX | FE7 | S5A | S3B | 113.4° | 113.4° |
| CX | FE7 | S5A | S4B | 113.7° | 113.7° |
| FE7 | CX | FE5 | S1B | 94.6° | 94.6° |
| FE7 | CX | FE6 | S1B | 96.7° | 96.7° |
| FE7 | CX | FE6 | N2B | 134.9° | 134.9° |
| CX | FE7 | S3B | S4B | 107.9° | 107.9° |
| CX | FE7 | S3B | V1 | 92.8° | 92.8° |
| CX | FE7 | S4B | V1 | 93.1° | 93.1° |
| S5A | FE7 | S4B | FE5 | 131.3° | 131.3° |
| S5A | FE7 | S3B | FE6 | 127.0° | 127.0° |
| S5A | FE7 | S3B | S4B | 138.4° | 138.4° |
| S5A | FE7 | S3B | V1 | 153.5° | 153.5° |
| S5A | FE7 | S4B | V1 | 152.5° | 152.5° |
| FE5 | S1B | FE6 | V1 | 75.5° | 75.5° |
| FE5 | S1B | FE6 | S3B | 96.7° | 96.7° |
| FE5 | S1B | FE6 | N2B | 123.9° | 123.9° |
| S1B | FE5 | S4B | FE7 | 91.4° | 91.4° |
| FE5 | S1B | V1 | S3B | 92.5° | 92.5° |
| S1B | FE5 | S4B | V1 | 11.9° | 11.9° |
| S4B | FE5 | S1B | FE6 | 91.9° | 91.9° |
| FE5 | S4B | FE7 | S3B | 91.4° | 91.4° |
| FE5 | S4B | FE7 | V1 | 76.1° | 76.1° |
| FE5 | S4B | V1 | S3B | 89.8° | 89.8° |
| S1B | FE6 | S3B | N2B | 142.5° | 142.5° |
| S1B | FE6 | S3B | FE7 | 98.1° | 98.1° |
| S1B | FE6 | S3B | V1 | 21.0° | 21.0° |
| FE6 | S1B | V1 | S4B | 84.5° | 84.5° |
| FE6 | S3B | FE7 | V1 | 79.5° | 79.5° |
| FE6 | S3B | FE7 | S4B | 94.6° | 94.6° |
| FE6 | S3B | V1 | S4B | 87.4° | 87.4° |
| N2B | FE6 | S3B | FE7 | 119.4° | 119.4° |
| N2B | FE6 | S1B | V1 | 160.6° | 160.6° |
| N2B | FE6 | S3B | V1 | 163.4° | 163.4° |
| FE7 | S3B | V1 | S1B | 92.6° | 92.6° |
| S3B | FE7 | S4B | V1 | 15.3° | 15.3° |
| FE7 | S4B | V1 | S1B | 86.8° | 86.8° |
| S1B | V1 | S3B | S4B | 106.7° | 106.7° |
