S5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S4B | FE8 | sing | 2.20Å | 2.34Å | |
| S4B | FE5 | sing | 2.14Å | 2.21Å | |
| S4B | FE7 | sing | 2.21Å | 2.21Å | |
| FE8 | S3B | sing | 2.19Å | 2.36Å | |
| FE8 | S1B | sing | 2.19Å | 2.33Å | |
| FE5 | S3A | sing | 2.19Å | 2.26Å | |
| FE5 | S1B | sing | 2.20Å | 2.24Å | |
| FE5 | CX | sing | 1.97Å | 2.00Å | |
| S3A | FE4 | sing | 2.20Å | 2.22Å | |
| FE7 | S5A | sing | 2.21Å | 2.27Å | |
| FE7 | S3B | sing | 2.14Å | 2.26Å | |
| FE7 | CX | sing | 2.00Å | 2.04Å | |
| S5A | FE3 | sing | 2.23Å | 2.24Å | |
| S3B | FE6 | sing | 2.16Å | 2.21Å | |
| FE6 | S2B | sing | 2.20Å | 2.18Å | |
| FE6 | S1B | sing | 2.19Å | 2.23Å | |
| FE6 | CX | sing | 2.02Å | 2.02Å | |
| S2B | FE2 | sing | 2.22Å | 2.22Å | |
| CX | FE4 | sing | 1.97Å | 1.98Å | |
| CX | FE3 | sing | 1.99Å | 2.01Å | |
| CX | FE2 | sing | 2.00Å | 1.98Å | |
| FE4 | S1A | sing | 2.18Å | 2.30Å | |
| FE4 | S4A | sing | 2.24Å | 2.32Å | |
| S1A | FE1 | sing | 1.95Å | 2.33Å | |
| S1A | FE2 | sing | 2.25Å | 2.26Å | |
| S4A | FE1 | sing | 1.96Å | 2.28Å | |
| S4A | FE3 | sing | 2.21Å | 2.27Å | |
| FE1 | S2A | sing | 1.93Å | 2.24Å | |
| FE3 | S2A | sing | 2.20Å | 2.29Å | |
| S2A | FE2 | sing | 2.19Å | 2.27Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE8 | S4B | FE5 | 78.5° | 99.3° |
| FE8 | S4B | FE7 | 77.3° | 89.0° |
| S4B | FE8 | S3B | 99.1° | 89.1° |
| S4B | FE8 | S1B | 97.3° | 78.9° |
| FE5 | S4B | FE7 | 73.5° | 71.2° |
| S4B | FE5 | S3A | 119.0° | 140.8° |
| S4B | FE5 | S1B | 104.2° | 80.0° |
| S4B | FE5 | CX | 101.3° | 106.7° |
| S4B | FE7 | S5A | 120.2° | 119.9° |
| S4B | FE7 | S3B | 106.0° | 90.3° |
| S4B | FE7 | CX | 99.7° | 103.0° |
| S3B | FE8 | S1B | 93.7° | 89.4° |
| FE8 | S3B | FE7 | 76.0° | 91.3° |
| FE8 | S3B | FE6 | 80.3° | 90.5° |
| FE8 | S1B | FE5 | 78.1° | 97.9° |
| FE8 | S1B | FE6 | 80.5° | 89.8° |
| S3A | FE5 | S1B | 123.4° | 123.5° |
| S3A | FE5 | CX | 103.6° | 97.9° |
| FE5 | S3A | FE4 | 70.2° | 76.8° |
| S1B | FE5 | CX | 101.7° | 103.6° |
| FE5 | S1B | FE6 | 72.7° | 72.7° |
| FE5 | CX | FE7 | 81.8° | 79.1° |
| FE5 | CX | FE6 | 82.3° | 81.2° |
| FE5 | CX | FE4 | 80.6° | 87.6° |
| FE5 | CX | FE3 | 132.8° | 133.0° |
| FE5 | CX | FE2 | 134.0° | 142.2° |
| S3A | FE4 | CX | 105.5° | 97.5° |
| S3A | FE4 | S1A | 121.4° | 132.3° |
| S3A | FE4 | S4A | 114.3° | 123.6° |
| S5A | FE7 | S3B | 122.3° | 133.0° |
| S5A | FE7 | CX | 102.2° | 103.2° |
| FE7 | S5A | FE3 | 71.7° | 71.3° |
| S3B | FE7 | CX | 101.9° | 103.7° |
| FE7 | S3B | FE6 | 71.7° | 73.3° |
| FE7 | CX | FE6 | 80.3° | 79.0° |
| FE7 | CX | FE4 | 137.1° | 142.9° |
| FE7 | CX | FE3 | 81.6° | 80.6° |
| FE7 | CX | FE2 | 136.2° | 129.5° |
| S5A | FE3 | CX | 104.3° | 102.8° |
| S5A | FE3 | S4A | 122.7° | 118.6° |
| S5A | FE3 | S2A | 117.5° | 123.9° |
| S3B | FE6 | S2B | 119.6° | 132.5° |
| S3B | FE6 | S1B | 101.0° | 90.2° |
| S3B | FE6 | CX | 104.3° | 102.4° |
| S2B | FE6 | S1B | 124.7° | 123.9° |
| S2B | FE6 | CX | 102.9° | 101.0° |
| FE6 | S2B | FE2 | 72.8° | 72.8° |
| S1B | FE6 | CX | 101.4° | 102.4° |
| FE6 | CX | FE4 | 134.8° | 133.1° |
| FE6 | CX | FE3 | 137.0° | 134.9° |
| FE6 | CX | FE2 | 81.2° | 81.3° |
| S2B | FE2 | CX | 102.8° | 101.2° |
| S2B | FE2 | S1A | 124.0° | 115.9° |
| S2B | FE2 | S2A | 117.9° | 132.5° |
| FE4 | CX | FE3 | 82.3° | 83.8° |
| FE4 | CX | FE2 | 81.4° | 80.4° |
| CX | FE4 | S1A | 103.1° | 106.0° |
| CX | FE4 | S4A | 102.0° | 100.3° |
| FE3 | CX | FE2 | 85.6° | 81.4° |
| CX | FE3 | S4A | 102.8° | 100.6° |
| CX | FE3 | S2A | 98.7° | 100.8° |
| CX | FE2 | S1A | 104.6° | 102.7° |
| CX | FE2 | S2A | 100.1° | 101.1° |
| S1A | FE4 | S4A | 108.0° | 92.7° |
| FE4 | S1A | FE1 | 68.5° | 62.0° |
| FE4 | S1A | FE2 | 69.0° | 70.8° |
| FE4 | S4A | FE1 | 69.1° | 60.8° |
| FE4 | S4A | FE3 | 69.6° | 73.0° |
| FE1 | S1A | FE2 | 72.1° | 56.2° |
| S1A | FE1 | S4A | 108.2° | 109.6° |
| S1A | FE1 | S2A | 102.5° | 120.8° |
| S1A | FE2 | S2A | 104.0° | 99.2° |
| FE1 | S4A | FE3 | 70.0° | 53.0° |
| S4A | FE1 | S2A | 108.4° | 129.6° |
| S4A | FE3 | S2A | 106.8° | 105.8° |
| FE1 | S2A | FE3 | 70.4° | 53.5° |
| FE1 | S2A | FE2 | 73.7° | 57.5° |
| FE3 | S2A | FE2 | 72.9° | 72.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FE8 | S4B | FE5 | FE7 | 80.0° | 85.8° |
| S4B | FE8 | S3B | S1B | 98.0° | 78.9° |
| FE8 | S4B | FE5 | S3A | 153.0° | 147.3° |
| FE8 | S4B | FE5 | S1B | 10.9° | 15.2° |
| FE8 | S4B | FE5 | CX | 94.4° | 86.2° |
| FE8 | S4B | FE7 | S5A | 154.0° | 145.8° |
| FE8 | S4B | FE7 | S3B | 9.9° | 3.6° |
| FE8 | S4B | FE7 | CX | 95.6° | 100.5° |
| S4B | FE8 | S3B | FE6 | 82.5° | 76.9° |
| S4B | FE8 | S1B | FE6 | 84.3° | 87.3° |
| FE5 | S4B | FE8 | S3B | 84.7° | 74.3° |
| S4B | FE5 | S3A | S1B | 134.5° | 118.8° |
| S4B | FE5 | S3A | CX | 111.3° | 129.0° |
| S4B | FE5 | S1B | CX | 105.0° | 105.0° |
| S4B | FE5 | S3A | FE4 | 113.0° | 125.0° |
| FE5 | S4B | FE7 | S5A | 124.4° | 114.1° |
| FE5 | S4B | FE7 | S3B | 91.5° | 103.7° |
| FE5 | S4B | FE7 | CX | 14.0° | 0.4° |
| S4B | FE5 | S1B | FE6 | 94.7° | 102.5° |
| S4B | FE5 | CX | FE6 | 96.4° | 80.9° |
| S4B | FE5 | CX | FE4 | 125.6° | 144.8° |
| S4B | FE5 | CX | FE3 | 55.4° | 65.5° |
| S4B | FE5 | CX | FE2 | 166.2° | 144.2° |
| FE7 | S4B | FE8 | S1B | 85.7° | 86.1° |
| FE7 | S4B | FE5 | S3A | 127.0° | 127.0° |
| FE7 | S4B | FE5 | S1B | 90.9° | 100.9° |
| S4B | FE7 | S5A | S3B | 138.2° | 123.0° |
| S4B | FE7 | S5A | CX | 109.1° | 113.6° |
| S4B | FE7 | S3B | CX | 103.9° | 103.5° |
| S4B | FE7 | S5A | FE3 | 105.9° | 124.4° |
| S4B | FE7 | S3B | FE6 | 94.1° | 93.8° |
| S4B | FE7 | CX | FE6 | 98.5° | 83.5° |
| S4B | FE7 | CX | FE4 | 51.6° | 70.5° |
| S4B | FE7 | CX | FE3 | 120.6° | 137.0° |
| S4B | FE7 | CX | FE2 | 164.8° | 152.4° |
| S3B | FE8 | S1B | FE5 | 89.5° | 74.4° |
| FE8 | S3B | FE7 | S5A | 153.1° | 137.0° |
| FE8 | S3B | FE7 | FE6 | 84.2° | 90.1° |
| FE8 | S3B | FE7 | CX | 94.0° | 99.8° |
| FE8 | S3B | FE6 | S2B | 157.5° | 141.4° |
| S3B | FE8 | S1B | FE6 | 15.4° | 1.9° |
| FE8 | S3B | FE6 | CX | 88.3° | 100.8° |
| FE8 | S1B | FE5 | S3A | 151.0° | 161.0° |
| FE8 | S1B | FE5 | FE6 | 83.7° | 87.3° |
| FE8 | S1B | FE5 | CX | 93.9° | 89.7° |
| S1B | FE8 | S3B | FE7 | 88.9° | 75.2° |
| FE8 | S1B | FE6 | S2B | 154.9° | 146.7° |
| FE8 | S1B | FE6 | CX | 90.5° | 100.8° |
| S3A | FE5 | S1B | CX | 115.1° | 109.3° |
| S3A | FE5 | CX | FE7 | 139.0° | 149.6° |
| S3A | FE5 | S1B | FE6 | 125.4° | 111.8° |
| S3A | FE5 | CX | FE6 | 139.8° | 130.0° |
| S3A | FE5 | CX | FE4 | 1.8° | 4.4° |
| S3A | FE5 | CX | FE3 | 68.4° | 83.6° |
| S3A | FE5 | CX | FE2 | 69.9° | 66.6° |
| FE5 | S3A | FE4 | S1A | 114.8° | 123.6° |
| FE5 | S3A | FE4 | S4A | 112.9° | 103.7° |
| S1B | FE5 | S3A | FE4 | 112.5° | 116.1° |
| S1B | FE5 | CX | FE7 | 92.1° | 83.0° |
| FE5 | S1B | FE6 | S3B | 97.1° | 100.3° |
| FE5 | S1B | FE6 | S2B | 124.7° | 114.9° |
| S1B | FE5 | CX | FE6 | 10.9° | 2.6° |
| S1B | FE5 | CX | FE4 | 127.1° | 131.8° |
| S1B | FE5 | CX | FE3 | 162.7° | 149.0° |
| S1B | FE5 | CX | FE2 | 58.9° | 60.8° |
| FE5 | CX | FE7 | S5A | 139.0° | 125.8° |
| FE5 | CX | FE7 | S3B | 93.8° | 93.2° |
| FE5 | CX | FE7 | FE6 | 83.5° | 83.1° |
| FE5 | CX | FE7 | FE4 | 66.6° | 70.9° |
| FE5 | CX | FE7 | FE3 | 135.6° | 137.4° |
| FE5 | CX | FE7 | FE2 | 149.8° | 152.0° |
| FE5 | CX | FE3 | S5A | 74.1° | 53.9° |
| FE5 | CX | FE6 | S3B | 93.6° | 90.4° |
| FE5 | CX | FE6 | S2B | 140.9° | 131.2° |
| FE5 | CX | FE6 | FE4 | 68.5° | 78.2° |
| FE5 | CX | FE6 | FE3 | 149.4° | 145.1° |
| FE5 | CX | FE6 | FE2 | 136.9° | 146.3° |
| FE5 | CX | FE2 | S2B | 74.1° | 48.3° |
| FE5 | CX | FE4 | FE3 | 135.8° | 133.7° |
| FE5 | CX | FE4 | FE2 | 137.5° | 144.0° |
| FE5 | CX | FE3 | FE2 | 151.4° | 162.1° |
| FE5 | CX | FE4 | S1A | 126.5° | 142.3° |
| FE5 | CX | FE4 | S4A | 121.5° | 121.9° |
| FE5 | CX | FE2 | S1A | 56.6° | 71.7° |
| FE5 | CX | FE3 | S4A | 54.9° | 68.9° |
| FE5 | CX | FE3 | S2A | 164.5° | 177.4° |
| FE5 | CX | FE2 | S2A | 164.0° | 173.9° |
| S3A | FE4 | CX | FE7 | 65.2° | 72.5° |
| S3A | FE4 | CX | FE6 | 71.0° | 71.2° |
| S3A | FE4 | CX | S1A | 128.3° | 138.0° |
| S3A | FE4 | CX | S4A | 119.7° | 126.2° |
| S3A | FE4 | CX | FE3 | 134.0° | 138.0° |
| S3A | FE4 | CX | FE2 | 139.3° | 139.7° |
| S3A | FE4 | S1A | S4A | 134.8° | 142.2° |
| S3A | FE4 | S1A | FE1 | 153.8° | 179.0° |
| S3A | FE4 | S1A | FE2 | 127.9° | 117.8° |
| S3A | FE4 | S4A | FE1 | 157.7° | 173.9° |
| S3A | FE4 | S4A | FE3 | 126.7° | 117.2° |
| S5A | FE7 | S3B | CX | 112.9° | 123.2° |
| S5A | FE7 | S3B | FE6 | 122.7° | 132.9° |
| S5A | FE7 | CX | FE6 | 137.4° | 151.2° |
| S5A | FE7 | CX | FE4 | 72.4° | 54.9° |
| S5A | FE7 | CX | FE3 | 3.4° | 11.6° |
| S5A | FE7 | CX | FE2 | 71.1° | 82.2° |
| FE7 | S5A | FE3 | S4A | 112.5° | 120.6° |
| FE7 | S5A | FE3 | S2A | 111.3° | 101.8° |
| S3B | FE7 | S5A | FE3 | 115.9° | 112.6° |
| FE7 | S3B | FE6 | S2B | 124.2° | 127.4° |
| FE7 | S3B | FE6 | S1B | 94.9° | 93.2° |
| S3B | FE7 | CX | FE6 | 10.3° | 10.1° |
| S3B | FE7 | CX | FE4 | 160.4° | 164.0° |
| S3B | FE7 | CX | FE3 | 130.6° | 129.5° |
| S3B | FE7 | CX | FE2 | 56.0° | 58.9° |
| FE7 | CX | FE6 | S2B | 136.2° | 148.3° |
| FE7 | CX | FE6 | S1B | 93.9° | 83.1° |
| FE7 | CX | FE6 | FE4 | 151.5° | 158.7° |
| FE7 | CX | FE6 | FE3 | 66.4° | 64.7° |
| FE7 | CX | FE6 | FE2 | 140.1° | 133.2° |
| FE7 | CX | FE2 | S2B | 62.1° | 83.0° |
| FE7 | CX | FE4 | FE3 | 68.8° | 65.5° |
| FE7 | CX | FE4 | FE2 | 155.4° | 147.8° |
| FE7 | CX | FE3 | FE2 | 138.0° | 132.6° |
| FE7 | CX | FE4 | S1A | 166.5° | 149.5° |
| FE7 | CX | FE4 | S4A | 54.5° | 53.7° |
| FE7 | CX | FE2 | S1A | 167.2° | 157.0° |
| FE7 | CX | FE3 | S4A | 125.5° | 134.2° |
| FE7 | CX | FE3 | S2A | 124.9° | 117.2° |
| FE7 | CX | FE2 | S2A | 59.7° | 54.8° |
| S5A | FE3 | CX | FE6 | 62.4° | 75.5° |
| S5A | FE3 | CX | FE4 | 143.6° | 134.7° |
| S5A | FE3 | CX | S4A | 129.0° | 122.8° |
| S5A | FE3 | CX | S2A | 121.4° | 128.7° |
| S5A | FE3 | CX | FE2 | 134.5° | 144.1° |
| S5A | FE3 | S4A | FE4 | 129.7° | 122.0° |
| S5A | FE3 | S4A | FE1 | 155.9° | 172.1° |
| S5A | FE3 | S4A | S2A | 140.2° | 144.4° |
| S5A | FE3 | S2A | FE1 | 158.6° | 169.9° |
| S5A | FE3 | S2A | FE2 | 123.1° | 128.1° |
| S3B | FE6 | S2B | S1B | 131.2° | 128.5° |
| S3B | FE6 | S2B | CX | 114.9° | 118.3° |
| S3B | FE6 | S1B | CX | 107.2° | 102.7° |
| S3B | FE6 | S2B | FE2 | 118.6° | 104.2° |
| S3B | FE6 | CX | FE4 | 162.1° | 168.7° |
| S3B | FE6 | CX | FE3 | 55.7° | 54.7° |
| S3B | FE6 | CX | FE2 | 129.5° | 123.3° |
| S2B | FE6 | S1B | CX | 114.6° | 112.5° |
| S2B | FE6 | CX | FE4 | 72.4° | 53.0° |
| S2B | FE6 | CX | FE3 | 69.8° | 83.7° |
| S2B | FE6 | CX | FE2 | 4.0° | 15.1° |
| FE6 | S2B | FE2 | S1A | 114.0° | 124.4° |
| FE6 | S2B | FE2 | S2A | 112.6° | 102.3° |
| S1B | FE6 | S2B | FE2 | 110.2° | 127.3° |
| S1B | FE6 | CX | FE4 | 57.5° | 75.6° |
| S1B | FE6 | CX | FE3 | 160.3° | 147.7° |
| S1B | FE6 | CX | FE2 | 126.0° | 143.7° |
| FE6 | CX | FE4 | FE3 | 155.0° | 150.7° |
| FE6 | CX | FE4 | FE2 | 68.4° | 68.4° |
| FE6 | CX | FE3 | FE2 | 72.1° | 68.5° |
| FE6 | CX | FE4 | S1A | 57.4° | 66.7° |
| FE6 | CX | FE4 | S4A | 169.3° | 162.5° |
| FE6 | CX | FE2 | S1A | 126.8° | 135.0° |
| FE6 | CX | FE3 | S4A | 168.6° | 161.7° |
| FE6 | CX | FE3 | S2A | 59.0° | 53.2° |
| FE6 | CX | FE2 | S2A | 125.7° | 122.7° |
| S2B | FE2 | CX | FE4 | 142.0° | 121.6° |
| S2B | FE2 | CX | FE3 | 135.1° | 153.2° |
| S2B | FE2 | CX | S1A | 130.7° | 120.0° |
| S2B | FE2 | CX | S2A | 121.8° | 137.7° |
| S2B | FE2 | S1A | FE4 | 127.2° | 110.8° |
| S2B | FE2 | S1A | FE1 | 159.6° | 179.4° |
| S2B | FE2 | S1A | S2A | 138.5° | 147.0° |
| S2B | FE2 | S2A | FE1 | 163.4° | 171.7° |
| S2B | FE2 | S2A | FE3 | 122.5° | 131.1° |
| FE4 | CX | FE3 | FE2 | 81.9° | 81.2° |
| CX | FE4 | S1A | S4A | 107.5° | 101.5° |
| CX | FE4 | S1A | FE1 | 88.5° | 62.7° |
| FE4 | CX | FE2 | S1A | 11.3° | 1.6° |
| CX | FE4 | S4A | FE1 | 88.9° | 67.7° |
| FE4 | CX | FE3 | S4A | 14.6° | 12.0° |
| FE4 | CX | FE3 | S2A | 95.0° | 96.6° |
| FE4 | CX | FE2 | S2A | 96.1° | 100.6° |
| FE3 | CX | FE4 | S1A | 97.7° | 84.0° |
| FE3 | CX | FE2 | S1A | 94.2° | 86.8° |
| CX | FE3 | S4A | FE1 | 87.5° | 76.9° |
| CX | FE3 | S4A | S2A | 103.3° | 104.6° |
| CX | FE3 | S2A | FE1 | 90.2° | 76.4° |
| FE3 | CX | FE2 | S2A | 13.3° | 15.5° |
| FE2 | CX | FE4 | S4A | 101.0° | 94.1° |
| CX | FE2 | S1A | FE1 | 83.5° | 70.2° |
| CX | FE2 | S1A | S2A | 104.6° | 103.7° |
| FE2 | CX | FE3 | S4A | 96.5° | 93.2° |
| CX | FE2 | S2A | FE1 | 86.2° | 71.7° |
| FE4 | S1A | FE1 | FE2 | 73.9° | 84.7° |
| S1A | FE4 | S4A | FE1 | 19.3° | 39.1° |
| S1A | FE4 | S4A | FE3 | 94.9° | 95.7° |
| FE4 | S1A | FE1 | S2A | 95.1° | 130.6° |
| FE4 | S1A | FE2 | S2A | 94.3° | 102.2° |
| S4A | FE4 | S1A | FE2 | 97.2° | 100.0° |
| FE4 | S4A | FE1 | FE3 | 75.1° | 90.1° |
| FE4 | S4A | FE1 | S2A | 91.4° | 131.5° |
| FE4 | S4A | FE3 | S2A | 90.2° | 93.6° |
| S1A | FE1 | S4A | S2A | 110.5° | 179.9° |
| S1A | FE1 | S4A | FE3 | 94.2° | 138.6° |
| S1A | FE1 | S2A | FE3 | 98.1° | 138.6° |
| FE1 | S1A | FE2 | S2A | 21.1° | 33.6° |
| FE2 | S1A | FE1 | S4A | 93.2° | 134.1° |
| S1A | FE2 | S2A | FE3 | 95.9° | 90.6° |
| FE1 | S4A | FE3 | S2A | 15.8° | 27.7° |
| S4A | FE1 | S2A | FE2 | 93.3° | 133.3° |
| S4A | FE3 | S2A | FE2 | 94.3° | 89.8° |
| FE1 | S2A | FE3 | FE2 | 78.3° | 61.9° |
