S5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S4B | FE8 | sing | 2.51Å | 2.34Å | |
| S4B | FE5 | sing | 2.25Å | 2.21Å | |
| S4B | FE7 | sing | 2.25Å | 2.21Å | |
| FE8 | S3B | sing | 2.51Å | 2.36Å | |
| FE8 | S1B | sing | 2.51Å | 2.33Å | |
| FE5 | S3A | sing | 2.25Å | 2.26Å | |
| FE5 | S1B | sing | 2.25Å | 2.24Å | |
| FE5 | CX | sing | 1.98Å | 2.00Å | |
| S3A | FE4 | sing | 2.25Å | 2.22Å | |
| FE7 | S5A | sing | 2.25Å | 2.27Å | |
| FE7 | S3B | sing | 2.25Å | 2.26Å | |
| FE7 | CX | sing | 1.98Å | 2.04Å | |
| S5A | FE3 | sing | 2.25Å | 2.24Å | |
| S3B | FE6 | sing | 2.25Å | 2.21Å | |
| FE6 | S2B | sing | 2.25Å | 2.18Å | |
| FE6 | S1B | sing | 2.25Å | 2.23Å | |
| FE6 | CX | sing | 1.98Å | 2.02Å | |
| S2B | FE2 | sing | 2.25Å | 2.22Å | |
| CX | FE4 | sing | 1.98Å | 1.98Å | |
| CX | FE3 | sing | 1.98Å | 2.01Å | |
| CX | FE2 | sing | 1.98Å | 1.98Å | |
| FE4 | S1A | sing | 2.25Å | 2.30Å | |
| FE4 | S4A | sing | 2.25Å | 2.32Å | |
| S1A | FE1 | sing | 2.30Å | 2.33Å | |
| S1A | FE2 | sing | 2.25Å | 2.26Å | |
| S4A | FE1 | sing | 2.30Å | 2.28Å | |
| S4A | FE3 | sing | 2.25Å | 2.27Å | |
| FE1 | S2A | sing | 2.29Å | 2.24Å | |
| FE3 | S2A | sing | 2.25Å | 2.29Å | |
| S2A | FE2 | sing | 2.25Å | 2.27Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE8 | S4B | FE5 | 78.5° | 75.9° |
| FE8 | S4B | FE7 | 77.3° | 75.9° |
| S4B | FE8 | S3B | 99.1° | 95.1° |
| S4B | FE8 | S1B | 97.3° | 95.0° |
| FE5 | S4B | FE7 | 73.5° | 69.5° |
| S4B | FE5 | S3A | 119.0° | 117.6° |
| S4B | FE5 | S1B | 104.2° | 110.3° |
| S4B | FE5 | CX | 101.3° | 102.7° |
| S4B | FE7 | S5A | 120.2° | 117.6° |
| S4B | FE7 | S3B | 106.0° | 110.4° |
| S4B | FE7 | CX | 99.7° | 102.6° |
| S3B | FE8 | S1B | 93.7° | 95.0° |
| FE8 | S3B | FE7 | 76.0° | 75.9° |
| FE8 | S3B | FE6 | 80.3° | 75.9° |
| FE8 | S1B | FE5 | 78.1° | 75.9° |
| FE8 | S1B | FE6 | 80.5° | 75.9° |
| S3A | FE5 | S1B | 123.4° | 117.6° |
| S3A | FE5 | CX | 103.6° | 103.2° |
| FE5 | S3A | FE4 | 70.2° | 70.8° |
| S1B | FE5 | CX | 101.7° | 102.7° |
| FE5 | S1B | FE6 | 72.7° | 69.5° |
| FE5 | CX | FE7 | 81.8° | 81.0° |
| FE5 | CX | FE6 | 82.3° | 81.0° |
| FE5 | CX | FE4 | 80.6° | 82.7° |
| FE5 | CX | FE3 | 132.8° | 135.9° |
| FE5 | CX | FE2 | 134.0° | 135.9° |
| S3A | FE4 | CX | 105.5° | 103.2° |
| S3A | FE4 | S1A | 121.4° | 118.0° |
| S3A | FE4 | S4A | 114.3° | 118.0° |
| S5A | FE7 | S3B | 122.3° | 117.6° |
| S5A | FE7 | CX | 102.2° | 103.3° |
| FE7 | S5A | FE3 | 71.7° | 70.8° |
| S3B | FE7 | CX | 101.9° | 102.6° |
| FE7 | S3B | FE6 | 71.7° | 69.5° |
| FE7 | CX | FE6 | 80.3° | 81.0° |
| FE7 | CX | FE4 | 137.1° | 135.9° |
| FE7 | CX | FE3 | 81.6° | 82.7° |
| FE7 | CX | FE2 | 136.2° | 135.9° |
| S5A | FE3 | CX | 104.3° | 103.2° |
| S5A | FE3 | S4A | 122.7° | 118.1° |
| S5A | FE3 | S2A | 117.5° | 118.0° |
| S3B | FE6 | S2B | 119.6° | 117.6° |
| S3B | FE6 | S1B | 101.0° | 110.3° |
| S3B | FE6 | CX | 104.3° | 102.7° |
| S2B | FE6 | S1B | 124.7° | 117.6° |
| S2B | FE6 | CX | 102.9° | 103.2° |
| FE6 | S2B | FE2 | 72.8° | 70.8° |
| S1B | FE6 | CX | 101.4° | 102.6° |
| FE6 | CX | FE4 | 134.8° | 135.9° |
| FE6 | CX | FE3 | 137.0° | 135.9° |
| FE6 | CX | FE2 | 81.2° | 82.7° |
| S2B | FE2 | CX | 102.8° | 103.3° |
| S2B | FE2 | S1A | 124.0° | 118.0° |
| S2B | FE2 | S2A | 117.9° | 118.1° |
| FE4 | CX | FE3 | 82.3° | 81.1° |
| FE4 | CX | FE2 | 81.4° | 81.2° |
| CX | FE4 | S1A | 103.1° | 102.7° |
| CX | FE4 | S4A | 102.0° | 102.7° |
| FE3 | CX | FE2 | 85.6° | 81.2° |
| CX | FE3 | S4A | 102.8° | 102.7° |
| CX | FE3 | S2A | 98.7° | 102.7° |
| CX | FE2 | S1A | 104.6° | 102.7° |
| CX | FE2 | S2A | 100.1° | 102.7° |
| S1A | FE4 | S4A | 108.0° | 109.5° |
| FE4 | S1A | FE1 | 68.5° | 68.9° |
| FE4 | S1A | FE2 | 69.0° | 69.6° |
| FE4 | S4A | FE1 | 69.1° | 68.9° |
| FE4 | S4A | FE3 | 69.6° | 69.6° |
| FE1 | S1A | FE2 | 72.1° | 68.9° |
| S1A | FE1 | S4A | 108.2° | 106.4° |
| S1A | FE1 | S2A | 102.5° | 106.6° |
| S1A | FE2 | S2A | 104.0° | 109.3° |
| FE1 | S4A | FE3 | 70.0° | 68.8° |
| S4A | FE1 | S2A | 108.4° | 106.6° |
| S4A | FE3 | S2A | 106.8° | 109.3° |
| FE1 | S2A | FE3 | 70.4° | 69.0° |
| FE1 | S2A | FE2 | 73.7° | 69.0° |
| FE3 | S2A | FE2 | 72.9° | 69.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FE8 | S4B | FE5 | FE7 | 80.0° | 79.9° |
| S4B | FE8 | S3B | S1B | 98.0° | 95.5° |
| FE8 | S4B | FE5 | S3A | 153.0° | 152.6° |
| FE8 | S4B | FE5 | S1B | 10.9° | 13.9° |
| FE8 | S4B | FE5 | CX | 94.4° | 94.9° |
| FE8 | S4B | FE7 | S5A | 154.0° | 152.6° |
| FE8 | S4B | FE7 | S3B | 9.9° | 13.9° |
| FE8 | S4B | FE7 | CX | 95.6° | 94.9° |
| S4B | FE8 | S3B | FE6 | 82.5° | 83.8° |
| S4B | FE8 | S1B | FE6 | 84.3° | 83.8° |
| FE5 | S4B | FE8 | S3B | 84.7° | 83.8° |
| S4B | FE5 | S3A | S1B | 134.5° | 135.7° |
| S4B | FE5 | S3A | CX | 111.3° | 112.1° |
| S4B | FE5 | S1B | CX | 105.0° | 108.8° |
| S4B | FE5 | S3A | FE4 | 113.0° | 112.1° |
| FE5 | S4B | FE7 | S5A | 124.4° | 127.4° |
| FE5 | S4B | FE7 | S3B | 91.5° | 93.9° |
| FE5 | S4B | FE7 | CX | 14.0° | 14.9° |
| S4B | FE5 | S1B | FE6 | 94.7° | 93.9° |
| S4B | FE5 | CX | FE6 | 96.4° | 98.4° |
| S4B | FE5 | CX | FE4 | 125.6° | 122.7° |
| S4B | FE5 | CX | FE3 | 55.4° | 53.5° |
| S4B | FE5 | CX | FE2 | 166.2° | 168.1° |
| FE7 | S4B | FE8 | S1B | 85.7° | 83.8° |
| FE7 | S4B | FE5 | S3A | 127.0° | 127.4° |
| FE7 | S4B | FE5 | S1B | 90.9° | 93.9° |
| S4B | FE7 | S5A | S3B | 138.2° | 135.8° |
| S4B | FE7 | S5A | CX | 109.1° | 112.1° |
| S4B | FE7 | S3B | CX | 103.9° | 108.8° |
| S4B | FE7 | S5A | FE3 | 105.9° | 112.1° |
| S4B | FE7 | S3B | FE6 | 94.1° | 93.9° |
| S4B | FE7 | CX | FE6 | 98.5° | 98.4° |
| S4B | FE7 | CX | FE4 | 51.6° | 53.5° |
| S4B | FE7 | CX | FE3 | 120.6° | 122.7° |
| S4B | FE7 | CX | FE2 | 164.8° | 168.1° |
| S3B | FE8 | S1B | FE5 | 89.5° | 83.8° |
| FE8 | S3B | FE7 | S5A | 153.1° | 152.7° |
| FE8 | S3B | FE7 | FE6 | 84.2° | 80.0° |
| FE8 | S3B | FE7 | CX | 94.0° | 94.9° |
| FE8 | S3B | FE6 | S2B | 157.5° | 152.7° |
| S3B | FE8 | S1B | FE6 | 15.4° | 11.8° |
| FE8 | S3B | FE6 | CX | 88.3° | 94.9° |
| FE8 | S1B | FE5 | S3A | 151.0° | 152.6° |
| FE8 | S1B | FE5 | FE6 | 83.7° | 80.0° |
| FE8 | S1B | FE5 | CX | 93.9° | 94.9° |
| S1B | FE8 | S3B | FE7 | 88.9° | 83.8° |
| FE8 | S1B | FE6 | S2B | 154.9° | 152.7° |
| FE8 | S1B | FE6 | CX | 90.5° | 94.9° |
| S3A | FE5 | S1B | CX | 115.1° | 112.5° |
| S3A | FE5 | CX | FE7 | 139.0° | 138.9° |
| S3A | FE5 | S1B | FE6 | 125.4° | 127.4° |
| S3A | FE5 | CX | FE6 | 139.8° | 138.9° |
| S3A | FE5 | CX | FE4 | 1.8° | 0.0° |
| S3A | FE5 | CX | FE3 | 68.4° | 69.2° |
| S3A | FE5 | CX | FE2 | 69.9° | 69.2° |
| FE5 | S3A | FE4 | S1A | 114.8° | 112.4° |
| FE5 | S3A | FE4 | S4A | 112.9° | 112.4° |
| S1B | FE5 | S3A | FE4 | 112.5° | 112.1° |
| S1B | FE5 | CX | FE7 | 92.1° | 98.4° |
| FE5 | S1B | FE6 | S3B | 97.1° | 93.9° |
| FE5 | S1B | FE6 | S2B | 124.7° | 127.4° |
| S1B | FE5 | CX | FE6 | 10.9° | 16.1° |
| S1B | FE5 | CX | FE4 | 127.1° | 122.7° |
| S1B | FE5 | CX | FE3 | 162.7° | 168.1° |
| S1B | FE5 | CX | FE2 | 58.9° | 53.5° |
| FE5 | CX | FE7 | S5A | 139.0° | 138.9° |
| FE5 | CX | FE7 | S3B | 93.8° | 98.4° |
| FE5 | CX | FE7 | FE6 | 83.5° | 82.3° |
| FE5 | CX | FE7 | FE4 | 66.6° | 69.7° |
| FE5 | CX | FE7 | FE3 | 135.6° | 138.9° |
| FE5 | CX | FE7 | FE2 | 149.8° | 151.9° |
| FE5 | CX | FE3 | S5A | 74.1° | 69.1° |
| FE5 | CX | FE6 | S3B | 93.6° | 98.4° |
| FE5 | CX | FE6 | S2B | 140.9° | 138.9° |
| FE5 | CX | FE6 | FE4 | 68.5° | 69.7° |
| FE5 | CX | FE6 | FE3 | 149.4° | 151.9° |
| FE5 | CX | FE6 | FE2 | 136.9° | 138.9° |
| FE5 | CX | FE2 | S2B | 74.1° | 69.0° |
| FE5 | CX | FE4 | FE3 | 135.8° | 138.8° |
| FE5 | CX | FE4 | FE2 | 137.5° | 138.8° |
| FE5 | CX | FE3 | FE2 | 151.4° | 152.2° |
| FE5 | CX | FE4 | S1A | 126.5° | 123.2° |
| FE5 | CX | FE4 | S4A | 121.5° | 123.2° |
| FE5 | CX | FE2 | S1A | 56.6° | 54.2° |
| FE5 | CX | FE3 | S4A | 54.9° | 54.2° |
| FE5 | CX | FE3 | S2A | 164.5° | 167.7° |
| FE5 | CX | FE2 | S2A | 164.0° | 167.7° |
| S3A | FE4 | CX | FE7 | 65.2° | 69.0° |
| S3A | FE4 | CX | FE6 | 71.0° | 69.1° |
| S3A | FE4 | CX | S1A | 128.3° | 123.2° |
| S3A | FE4 | CX | S4A | 119.7° | 123.2° |
| S3A | FE4 | CX | FE3 | 134.0° | 138.8° |
| S3A | FE4 | CX | FE2 | 139.3° | 138.8° |
| S3A | FE4 | S1A | S4A | 134.8° | 138.8° |
| S3A | FE4 | S1A | FE1 | 153.8° | 158.5° |
| S3A | FE4 | S1A | FE2 | 127.9° | 127.1° |
| S3A | FE4 | S4A | FE1 | 157.7° | 158.5° |
| S3A | FE4 | S4A | FE3 | 126.7° | 127.1° |
| S5A | FE7 | S3B | CX | 112.9° | 112.5° |
| S5A | FE7 | S3B | FE6 | 122.7° | 127.4° |
| S5A | FE7 | CX | FE6 | 137.4° | 138.8° |
| S5A | FE7 | CX | FE4 | 72.4° | 69.2° |
| S5A | FE7 | CX | FE3 | 3.4° | 0.0° |
| S5A | FE7 | CX | FE2 | 71.1° | 69.2° |
| FE7 | S5A | FE3 | S4A | 112.5° | 112.4° |
| FE7 | S5A | FE3 | S2A | 111.3° | 112.4° |
| S3B | FE7 | S5A | FE3 | 115.9° | 112.2° |
| FE7 | S3B | FE6 | S2B | 124.2° | 127.4° |
| FE7 | S3B | FE6 | S1B | 94.9° | 93.9° |
| S3B | FE7 | CX | FE6 | 10.3° | 16.1° |
| S3B | FE7 | CX | FE4 | 160.4° | 168.1° |
| S3B | FE7 | CX | FE3 | 130.6° | 122.8° |
| S3B | FE7 | CX | FE2 | 56.0° | 53.5° |
| FE7 | CX | FE6 | S2B | 136.2° | 138.8° |
| FE7 | CX | FE6 | S1B | 93.9° | 98.4° |
| FE7 | CX | FE6 | FE4 | 151.5° | 151.9° |
| FE7 | CX | FE6 | FE3 | 66.4° | 69.6° |
| FE7 | CX | FE6 | FE2 | 140.1° | 138.9° |
| FE7 | CX | FE2 | S2B | 62.1° | 69.0° |
| FE7 | CX | FE4 | FE3 | 68.8° | 69.8° |
| FE7 | CX | FE4 | FE2 | 155.4° | 152.1° |
| FE7 | CX | FE3 | FE2 | 138.0° | 138.8° |
| FE7 | CX | FE4 | S1A | 166.5° | 167.8° |
| FE7 | CX | FE4 | S4A | 54.5° | 54.1° |
| FE7 | CX | FE2 | S1A | 167.2° | 167.8° |
| FE7 | CX | FE3 | S4A | 125.5° | 123.2° |
| FE7 | CX | FE3 | S2A | 124.9° | 123.3° |
| FE7 | CX | FE2 | S2A | 59.7° | 54.3° |
| S5A | FE3 | CX | FE6 | 62.4° | 69.0° |
| S5A | FE3 | CX | FE4 | 143.6° | 138.9° |
| S5A | FE3 | CX | S4A | 129.0° | 123.3° |
| S5A | FE3 | CX | S2A | 121.4° | 123.2° |
| S5A | FE3 | CX | FE2 | 134.5° | 138.8° |
| S5A | FE3 | S4A | FE4 | 129.7° | 127.2° |
| S5A | FE3 | S4A | FE1 | 155.9° | 158.4° |
| S5A | FE3 | S4A | S2A | 140.2° | 138.7° |
| S5A | FE3 | S2A | FE1 | 158.6° | 158.4° |
| S5A | FE3 | S2A | FE2 | 123.1° | 127.0° |
| S3B | FE6 | S2B | S1B | 131.2° | 135.7° |
| S3B | FE6 | S2B | CX | 114.9° | 112.2° |
| S3B | FE6 | S1B | CX | 107.2° | 108.8° |
| S3B | FE6 | S2B | FE2 | 118.6° | 112.2° |
| S3B | FE6 | CX | FE4 | 162.1° | 168.1° |
| S3B | FE6 | CX | FE3 | 55.7° | 53.5° |
| S3B | FE6 | CX | FE2 | 129.5° | 122.7° |
| S2B | FE6 | S1B | CX | 114.6° | 112.5° |
| S2B | FE6 | CX | FE4 | 72.4° | 69.2° |
| S2B | FE6 | CX | FE3 | 69.8° | 69.2° |
| S2B | FE6 | CX | FE2 | 4.0° | 0.0° |
| FE6 | S2B | FE2 | S1A | 114.0° | 112.4° |
| FE6 | S2B | FE2 | S2A | 112.6° | 112.5° |
| S1B | FE6 | S2B | FE2 | 110.2° | 112.1° |
| S1B | FE6 | CX | FE4 | 57.5° | 53.5° |
| S1B | FE6 | CX | FE3 | 160.3° | 168.0° |
| S1B | FE6 | CX | FE2 | 126.0° | 122.7° |
| FE6 | CX | FE4 | FE3 | 155.0° | 152.1° |
| FE6 | CX | FE4 | FE2 | 68.4° | 69.8° |
| FE6 | CX | FE3 | FE2 | 72.1° | 69.8° |
| FE6 | CX | FE4 | S1A | 57.4° | 54.1° |
| FE6 | CX | FE4 | S4A | 169.3° | 167.8° |
| FE6 | CX | FE2 | S1A | 126.8° | 123.2° |
| FE6 | CX | FE3 | S4A | 168.6° | 167.8° |
| FE6 | CX | FE3 | S2A | 59.0° | 54.3° |
| FE6 | CX | FE2 | S2A | 125.7° | 123.3° |
| S2B | FE2 | CX | FE4 | 142.0° | 138.9° |
| S2B | FE2 | CX | FE3 | 135.1° | 138.8° |
| S2B | FE2 | CX | S1A | 130.7° | 123.2° |
| S2B | FE2 | CX | S2A | 121.8° | 123.3° |
| S2B | FE2 | S1A | FE4 | 127.2° | 127.2° |
| S2B | FE2 | S1A | FE1 | 159.6° | 158.4° |
| S2B | FE2 | S1A | S2A | 138.5° | 138.7° |
| S2B | FE2 | S2A | FE1 | 163.4° | 158.4° |
| S2B | FE2 | S2A | FE3 | 122.5° | 127.1° |
| FE4 | CX | FE3 | FE2 | 81.9° | 82.3° |
| CX | FE4 | S1A | S4A | 107.5° | 108.6° |
| CX | FE4 | S1A | FE1 | 88.5° | 88.8° |
| FE4 | CX | FE2 | S1A | 11.3° | 15.6° |
| CX | FE4 | S4A | FE1 | 88.9° | 88.8° |
| FE4 | CX | FE3 | S4A | 14.6° | 15.6° |
| FE4 | CX | FE3 | S2A | 95.0° | 97.9° |
| FE4 | CX | FE2 | S2A | 96.1° | 97.8° |
| FE3 | CX | FE4 | S1A | 97.7° | 98.0° |
| FE3 | CX | FE2 | S1A | 94.2° | 98.0° |
| CX | FE3 | S4A | FE1 | 87.5° | 88.9° |
| CX | FE3 | S4A | S2A | 103.3° | 108.5° |
| CX | FE3 | S2A | FE1 | 90.2° | 88.9° |
| FE3 | CX | FE2 | S2A | 13.3° | 15.5° |
| FE2 | CX | FE4 | S4A | 101.0° | 98.0° |
| CX | FE2 | S1A | FE1 | 83.5° | 88.9° |
| CX | FE2 | S1A | S2A | 104.6° | 108.5° |
| FE2 | CX | FE3 | S4A | 96.5° | 98.0° |
| CX | FE2 | S2A | FE1 | 86.2° | 88.9° |
| FE4 | S1A | FE1 | FE2 | 73.9° | 75.4° |
| S1A | FE4 | S4A | FE1 | 19.3° | 19.7° |
| S1A | FE4 | S4A | FE3 | 94.9° | 94.1° |
| FE4 | S1A | FE1 | S2A | 95.1° | 94.4° |
| FE4 | S1A | FE2 | S2A | 94.3° | 94.1° |
| S4A | FE4 | S1A | FE2 | 97.2° | 94.1° |
| FE4 | S4A | FE1 | FE3 | 75.1° | 75.4° |
| FE4 | S4A | FE1 | S2A | 91.4° | 94.4° |
| FE4 | S4A | FE3 | S2A | 90.2° | 94.1° |
| S1A | FE1 | S4A | S2A | 110.5° | 113.4° |
| S1A | FE1 | S4A | FE3 | 94.2° | 94.4° |
| S1A | FE1 | S2A | FE3 | 98.1° | 94.3° |
| FE1 | S1A | FE2 | S2A | 21.1° | 19.6° |
| FE2 | S1A | FE1 | S4A | 93.2° | 94.4° |
| S1A | FE2 | S2A | FE3 | 95.9° | 94.2° |
| FE1 | S4A | FE3 | S2A | 15.8° | 19.6° |
| S4A | FE1 | S2A | FE2 | 93.3° | 94.3° |
| S4A | FE3 | S2A | FE2 | 94.3° | 94.2° |
| FE1 | S2A | FE3 | FE2 | 78.3° | 74.5° |
