8P8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S4A | FE1 | sing | 2.32Å | 2.32Å | |
S4A | FE3 | sing | 2.27Å | 2.27Å | |
S4A | FE4 | sing | 2.34Å | 2.34Å | |
FE1 | S2A | sing | 2.25Å | 2.25Å | |
FE1 | S1A | sing | 2.31Å | 2.31Å | |
FE3 | S5A | sing | 2.23Å | 2.23Å | |
FE3 | S2A | sing | 2.26Å | 2.26Å | |
FE3 | C1 | sing | 2.04Å | 2.04Å | |
S5A | FE7 | sing | 2.27Å | 2.27Å | |
S2A | FE2 | sing | 2.28Å | 2.28Å | |
FE4 | C1 | sing | 2.02Å | 2.02Å | |
FE4 | S1A | sing | 2.29Å | 2.29Å | |
C1 | FE5 | sing | 2.05Å | 2.05Å | |
C1 | FE2 | sing | 1.95Å | 1.95Å | |
C1 | FE6 | sing | 1.98Å | 1.98Å | |
C1 | FE7 | sing | 2.01Å | 2.01Å | |
FE5 | S4B | sing | 2.27Å | 2.27Å | |
FE5 | S1B | sing | 2.27Å | 2.27Å | |
S4B | FE7 | sing | 2.23Å | 2.23Å | |
S4B | V1 | sing | 2.33Å | 2.33Å | |
S1A | FE2 | sing | 2.24Å | 2.24Å | |
FE2 | S2B | sing | 2.21Å | 2.21Å | |
FE6 | S2B | sing | 2.17Å | 2.17Å | |
FE6 | S3B | sing | 2.21Å | 2.21Å | |
FE6 | S1B | sing | 2.24Å | 2.24Å | |
FE7 | S3B | sing | 2.24Å | 2.24Å | |
S3B | V1 | sing | 2.34Å | 2.34Å | |
S1B | V1 | sing | 2.35Å | 2.35Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FE1 | S4A | FE3 | 70.8° | 70.8° |
FE1 | S4A | FE4 | 67.1° | 67.1° |
S4A | FE1 | S2A | 104.2° | 104.2° |
S4A | FE1 | S1A | 110.7° | 110.7° |
FE3 | S4A | FE4 | 69.5° | 69.5° |
S4A | FE3 | S5A | 119.9° | 119.9° |
S4A | FE3 | S2A | 105.5° | 105.5° |
S4A | FE3 | C1 | 103.7° | 103.7° |
S4A | FE4 | C1 | 102.3° | 102.3° |
S4A | FE4 | S1A | 110.8° | 110.8° |
S2A | FE1 | S1A | 102.5° | 102.5° |
FE1 | S2A | FE3 | 72.3° | 72.3° |
FE1 | S2A | FE2 | 73.3° | 73.3° |
FE1 | S1A | FE4 | 68.2° | 68.2° |
FE1 | S1A | FE2 | 73.0° | 73.0° |
S5A | FE3 | S2A | 118.4° | 118.4° |
S5A | FE3 | C1 | 105.2° | 105.2° |
FE3 | S5A | FE7 | 70.4° | 70.4° |
S2A | FE3 | C1 | 101.6° | 101.6° |
FE3 | S2A | FE2 | 70.8° | 70.8° |
FE3 | C1 | FE4 | 80.8° | 80.8° |
FE3 | C1 | FE5 | 134.9° | 134.9° |
FE3 | C1 | FE2 | 82.3° | 82.3° |
FE3 | C1 | FE6 | 134.5° | 134.5° |
FE3 | C1 | FE7 | 79.6° | 79.6° |
S5A | FE7 | C1 | 104.8° | 104.8° |
S5A | FE7 | S4B | 118.9° | 118.9° |
S5A | FE7 | S3B | 117.3° | 117.3° |
S2A | FE2 | C1 | 103.8° | 103.8° |
S2A | FE2 | S1A | 103.7° | 103.7° |
S2A | FE2 | S2B | 120.4° | 120.4° |
C1 | FE4 | S1A | 99.4° | 99.4° |
FE4 | C1 | FE5 | 85.4° | 85.4° |
FE4 | C1 | FE2 | 82.7° | 82.7° |
FE4 | C1 | FE6 | 139.0° | 139.0° |
FE4 | C1 | FE7 | 135.2° | 135.2° |
FE4 | S1A | FE2 | 70.8° | 70.8° |
FE5 | C1 | FE2 | 138.2° | 138.2° |
FE5 | C1 | FE6 | 80.3° | 80.3° |
FE5 | C1 | FE7 | 80.7° | 80.7° |
C1 | FE5 | S4B | 100.2° | 100.2° |
C1 | FE5 | S1B | 101.3° | 101.3° |
FE2 | C1 | FE6 | 82.9° | 82.9° |
FE2 | C1 | FE7 | 133.2° | 133.2° |
C1 | FE2 | S1A | 103.0° | 103.0° |
C1 | FE2 | S2B | 101.9° | 101.9° |
FE6 | C1 | FE7 | 80.0° | 80.0° |
C1 | FE6 | S2B | 102.1° | 102.1° |
C1 | FE6 | S3B | 104.3° | 104.3° |
C1 | FE6 | S1B | 104.6° | 104.6° |
C1 | FE7 | S4B | 102.9° | 102.9° |
C1 | FE7 | S3B | 102.3° | 102.3° |
S4B | FE5 | S1B | 109.3° | 109.3° |
FE5 | S4B | FE7 | 71.7° | 71.7° |
FE5 | S4B | V1 | 72.0° | 72.0° |
FE5 | S1B | FE6 | 70.4° | 70.4° |
FE5 | S1B | V1 | 71.6° | 71.6° |
FE7 | S4B | V1 | 73.5° | 73.5° |
S4B | FE7 | S3B | 108.1° | 108.1° |
S4B | V1 | S3B | 101.4° | 101.4° |
S4B | V1 | S1B | 104.6° | 104.6° |
S1A | FE2 | S2B | 121.3° | 121.3° |
FE2 | S2B | FE6 | 73.0° | 73.0° |
S2B | FE6 | S3B | 116.1° | 116.1° |
S2B | FE6 | S1B | 121.8° | 121.8° |
S3B | FE6 | S1B | 105.8° | 105.8° |
FE6 | S3B | FE7 | 70.5° | 70.5° |
FE6 | S3B | V1 | 75.0° | 75.0° |
FE6 | S1B | V1 | 74.3° | 74.3° |
FE7 | S3B | V1 | 73.0° | 73.0° |
S3B | V1 | S1B | 98.5° | 98.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FE1 | S4A | FE3 | FE4 | 72.0° | 72.0° |
S4A | FE1 | S2A | S1A | 115.4° | 115.4° |
FE1 | S4A | FE3 | S5A | 157.3° | 157.3° |
FE1 | S4A | FE3 | S2A | 20.4° | 20.4° |
FE1 | S4A | FE3 | C1 | 86.0° | 86.0° |
S4A | FE1 | S2A | FE2 | 94.9° | 94.9° |
FE1 | S4A | FE4 | C1 | 91.2° | 91.2° |
FE1 | S4A | FE4 | S1A | 14.0° | 14.0° |
S4A | FE1 | S1A | FE2 | 89.7° | 89.7° |
FE3 | S4A | FE1 | S1A | 89.2° | 89.2° |
S4A | FE3 | S5A | S2A | 131.5° | 131.5° |
S4A | FE3 | S5A | C1 | 116.0° | 116.0° |
S4A | FE3 | S2A | C1 | 107.9° | 107.9° |
S4A | FE3 | S5A | FE7 | 113.5° | 113.5° |
S4A | FE3 | S2A | FE2 | 98.9° | 98.9° |
FE3 | S4A | FE4 | C1 | 14.1° | 14.1° |
FE3 | S4A | FE4 | S1A | 91.1° | 91.1° |
S4A | FE3 | C1 | FE5 | 58.6° | 58.6° |
S4A | FE3 | C1 | FE2 | 99.3° | 99.3° |
S4A | FE3 | C1 | FE6 | 171.3° | 171.3° |
S4A | FE3 | C1 | FE7 | 124.0° | 124.0° |
FE4 | S4A | FE1 | S2A | 95.6° | 95.6° |
FE4 | S4A | FE3 | S5A | 130.8° | 130.8° |
FE4 | S4A | FE3 | S2A | 92.4° | 92.4° |
S4A | FE4 | C1 | S1A | 113.9° | 113.9° |
S4A | FE4 | C1 | FE5 | 121.9° | 121.9° |
S4A | FE4 | C1 | FE2 | 98.3° | 98.3° |
S4A | FE4 | C1 | FE6 | 168.6° | 168.6° |
S4A | FE4 | C1 | FE7 | 50.1° | 50.1° |
S4A | FE4 | S1A | FE2 | 92.9° | 92.9° |
FE1 | S2A | FE3 | S5A | 158.5° | 158.5° |
FE1 | S2A | FE3 | FE2 | 78.0° | 78.0° |
FE1 | S2A | FE3 | C1 | 87.0° | 87.0° |
S2A | FE1 | S1A | FE4 | 96.6° | 96.6° |
FE1 | S2A | FE2 | C1 | 86.1° | 86.1° |
S2A | FE1 | S1A | FE2 | 20.9° | 20.9° |
FE1 | S2A | FE2 | S2B | 160.9° | 160.9° |
S1A | FE1 | S2A | FE3 | 95.1° | 95.1° |
FE1 | S1A | FE4 | C1 | 93.1° | 93.1° |
FE1 | S1A | FE4 | FE2 | 78.8° | 78.8° |
FE1 | S1A | FE2 | C1 | 87.2° | 87.2° |
FE1 | S1A | FE2 | S2B | 159.9° | 159.9° |
S5A | FE3 | S2A | C1 | 114.5° | 114.5° |
S5A | FE3 | S2A | FE2 | 123.5° | 123.5° |
S5A | FE3 | C1 | FE4 | 142.2° | 142.2° |
S5A | FE3 | C1 | FE5 | 68.1° | 68.1° |
S5A | FE3 | C1 | FE2 | 134.0° | 134.0° |
S5A | FE3 | C1 | FE6 | 62.0° | 62.0° |
S5A | FE3 | C1 | FE7 | 2.7° | 2.7° |
FE3 | S5A | FE7 | S4B | 111.6° | 111.6° |
FE3 | S5A | FE7 | S3B | 115.1° | 115.1° |
S2A | FE3 | S5A | FE7 | 115.0° | 115.0° |
S2A | FE3 | C1 | FE4 | 93.8° | 93.8° |
S2A | FE3 | C1 | FE5 | 167.8° | 167.8° |
S2A | FE3 | C1 | FE2 | 10.0° | 10.0° |
S2A | FE3 | C1 | FE6 | 62.1° | 62.1° |
S2A | FE3 | C1 | FE7 | 126.7° | 126.7° |
FE3 | S2A | FE2 | S1A | 97.9° | 97.9° |
FE3 | S2A | FE2 | S2B | 122.4° | 122.4° |
FE3 | C1 | FE4 | FE5 | 136.9° | 136.9° |
FE3 | C1 | FE4 | FE2 | 83.3° | 83.3° |
FE3 | C1 | FE4 | FE6 | 153.6° | 153.6° |
FE3 | C1 | FE4 | FE7 | 65.0° | 65.0° |
FE3 | C1 | FE4 | S1A | 98.9° | 98.9° |
FE3 | C1 | FE5 | FE2 | 145.9° | 145.9° |
FE3 | C1 | FE5 | FE6 | 146.4° | 146.4° |
FE3 | C1 | FE5 | FE7 | 65.0° | 65.0° |
FE3 | C1 | FE2 | FE6 | 136.9° | 136.9° |
FE3 | C1 | FE2 | FE7 | 67.8° | 67.8° |
FE3 | C1 | FE6 | FE7 | 64.5° | 64.5° |
FE3 | C1 | FE5 | S4B | 48.6° | 48.6° |
FE3 | C1 | FE5 | S1B | 160.9° | 160.9° |
FE3 | C1 | FE7 | S4B | 122.3° | 122.3° |
FE3 | C1 | FE2 | S1A | 97.8° | 97.8° |
FE3 | C1 | FE2 | S2B | 135.7° | 135.7° |
FE3 | C1 | FE6 | S2B | 70.7° | 70.7° |
FE3 | C1 | FE6 | S3B | 50.6° | 50.6° |
FE3 | C1 | FE6 | S1B | 161.5° | 161.5° |
FE3 | C1 | FE7 | S3B | 125.6° | 125.6° |
S5A | FE7 | C1 | FE4 | 68.1° | 68.1° |
S5A | FE7 | C1 | FE5 | 141.8° | 141.8° |
S5A | FE7 | C1 | FE2 | 66.2° | 66.2° |
S5A | FE7 | C1 | FE6 | 136.5° | 136.5° |
S5A | FE7 | C1 | S4B | 125.0° | 125.0° |
S5A | FE7 | C1 | S3B | 122.9° | 122.9° |
S5A | FE7 | S4B | FE5 | 131.0° | 131.0° |
S5A | FE7 | S4B | S3B | 137.1° | 137.1° |
S5A | FE7 | S4B | V1 | 152.9° | 152.9° |
S5A | FE7 | S3B | FE6 | 126.7° | 126.7° |
S5A | FE7 | S3B | V1 | 153.7° | 153.7° |
S2A | FE2 | C1 | FE4 | 91.7° | 91.7° |
S2A | FE2 | S1A | FE4 | 93.0° | 93.0° |
S2A | FE2 | C1 | FE5 | 166.4° | 166.4° |
S2A | FE2 | C1 | S1A | 107.8° | 107.8° |
S2A | FE2 | C1 | S2B | 125.7° | 125.7° |
S2A | FE2 | C1 | FE6 | 126.9° | 126.9° |
S2A | FE2 | C1 | FE7 | 57.8° | 57.8° |
S2A | FE2 | S1A | S2B | 139.2° | 139.2° |
S2A | FE2 | S2B | FE6 | 115.0° | 115.0° |
FE4 | C1 | FE5 | FE2 | 73.7° | 73.7° |
FE4 | C1 | FE5 | FE6 | 141.4° | 141.4° |
FE4 | C1 | FE5 | FE7 | 137.2° | 137.2° |
FE4 | C1 | FE2 | FE6 | 141.5° | 141.5° |
FE4 | C1 | FE2 | FE7 | 149.4° | 149.4° |
FE4 | C1 | FE6 | FE7 | 153.4° | 153.4° |
FE4 | C1 | FE5 | S4B | 120.8° | 120.8° |
FE4 | C1 | FE5 | S1B | 126.9° | 126.9° |
FE4 | C1 | FE7 | S4B | 56.9° | 56.9° |
C1 | FE4 | S1A | FE2 | 14.3° | 14.3° |
FE4 | C1 | FE2 | S2B | 142.6° | 142.6° |
FE4 | C1 | FE6 | S2B | 71.4° | 71.4° |
FE4 | C1 | FE6 | S3B | 167.3° | 167.3° |
FE4 | C1 | FE6 | S1B | 56.4° | 56.4° |
FE4 | C1 | FE7 | S3B | 169.0° | 169.0° |
S1A | FE4 | C1 | FE5 | 124.2° | 124.2° |
S1A | FE4 | C1 | FE6 | 54.7° | 54.7° |
S1A | FE4 | C1 | FE7 | 163.9° | 163.9° |
FE4 | S1A | FE2 | S2B | 127.8° | 127.8° |
FE5 | C1 | FE2 | FE6 | 66.8° | 66.8° |
FE5 | C1 | FE2 | FE7 | 135.9° | 135.9° |
FE5 | C1 | FE6 | FE7 | 82.2° | 82.2° |
C1 | FE5 | S4B | S1B | 105.9° | 105.9° |
FE5 | C1 | FE7 | S4B | 16.9° | 16.9° |
C1 | FE5 | S4B | V1 | 93.4° | 93.4° |
FE5 | C1 | FE2 | S1A | 58.5° | 58.5° |
FE5 | C1 | FE2 | S2B | 67.9° | 67.9° |
FE5 | C1 | FE6 | S2B | 142.7° | 142.7° |
FE5 | C1 | FE6 | S3B | 96.0° | 96.0° |
FE5 | C1 | FE6 | S1B | 14.9° | 14.9° |
FE5 | C1 | FE7 | S3B | 95.2° | 95.2° |
C1 | FE5 | S1B | V1 | 92.8° | 92.8° |
FE2 | C1 | FE6 | FE7 | 136.3° | 136.3° |
FE2 | C1 | FE5 | S4B | 165.4° | 165.4° |
FE2 | C1 | FE5 | S1B | 53.2° | 53.2° |
FE2 | C1 | FE7 | S4B | 168.8° | 168.8° |
C1 | FE2 | S1A | S2B | 112.9° | 112.9° |
FE2 | C1 | FE6 | S2B | 1.1° | 1.1° |
FE2 | C1 | FE6 | S3B | 122.5° | 122.5° |
FE2 | C1 | FE6 | S1B | 126.7° | 126.7° |
FE2 | C1 | FE7 | S3B | 56.7° | 56.7° |
FE6 | C1 | FE5 | S4B | 97.8° | 97.8° |
FE6 | C1 | FE7 | S4B | 98.6° | 98.6° |
FE6 | C1 | FE2 | S1A | 125.3° | 125.3° |
C1 | FE6 | S2B | S3B | 112.7° | 112.7° |
C1 | FE6 | S2B | S1B | 115.8° | 115.8° |
C1 | FE6 | S3B | S1B | 110.0° | 110.0° |
FE6 | C1 | FE7 | S3B | 13.6° | 13.6° |
C1 | FE6 | S3B | V1 | 89.9° | 89.9° |
C1 | FE6 | S1B | V1 | 89.7° | 89.7° |
FE7 | C1 | FE5 | S1B | 95.9° | 95.9° |
C1 | FE7 | S4B | S3B | 107.7° | 107.7° |
C1 | FE7 | S4B | V1 | 91.9° | 91.9° |
FE7 | C1 | FE2 | S1A | 165.6° | 165.6° |
FE7 | C1 | FE2 | S2B | 68.0° | 68.0° |
FE7 | C1 | FE6 | S2B | 135.1° | 135.1° |
FE7 | C1 | FE6 | S1B | 97.0° | 97.0° |
C1 | FE7 | S3B | V1 | 92.3° | 92.3° |
FE5 | S4B | FE7 | V1 | 76.0° | 76.0° |
S4B | FE5 | S1B | FE6 | 91.8° | 91.8° |
FE5 | S4B | FE7 | S3B | 91.9° | 91.9° |
FE5 | S4B | V1 | S3B | 90.3° | 90.3° |
S4B | FE5 | S1B | V1 | 12.4° | 12.4° |
S1B | FE5 | S4B | FE7 | 90.5° | 90.5° |
FE5 | S1B | FE6 | S2B | 128.7° | 128.7° |
FE5 | S1B | FE6 | S3B | 95.7° | 95.7° |
FE5 | S1B | FE6 | V1 | 75.7° | 75.7° |
FE5 | S1B | V1 | S3B | 92.5° | 92.5° |
S4B | FE7 | S3B | FE6 | 95.5° | 95.5° |
FE7 | S4B | V1 | S3B | 14.7° | 14.7° |
FE7 | S4B | V1 | S1B | 87.4° | 87.4° |
S4B | V1 | S3B | FE6 | 88.3° | 88.3° |
S4B | V1 | S1B | FE6 | 85.9° | 85.9° |
S4B | V1 | S3B | S1B | 106.9° | 106.9° |
S1A | FE2 | S2B | FE6 | 112.4° | 112.4° |
FE2 | S2B | FE6 | S3B | 113.8° | 113.8° |
FE2 | S2B | FE6 | S1B | 114.8° | 114.8° |
S2B | FE6 | S3B | S1B | 138.6° | 138.6° |
S2B | FE6 | S3B | FE7 | 124.5° | 124.5° |
S2B | FE6 | S3B | V1 | 158.6° | 158.6° |
S2B | FE6 | S1B | V1 | 155.6° | 155.6° |
FE6 | S3B | FE7 | V1 | 79.7° | 79.7° |
S3B | FE6 | S1B | V1 | 20.0° | 20.0° |
S1B | FE6 | S3B | FE7 | 97.0° | 97.0° |
FE7 | S3B | V1 | S1B | 92.3° | 92.3° |