ZXV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | trip | 1.25Å | 1.10Å | |
| C | NI | sing | 1.92Å | 1.92Å | |
| NI | S1 | sing | 2.20Å | 2.20Å | |
| NI | S4 | sing | 2.20Å | 2.29Å | |
| S1 | FE3 | sing | 2.27Å | 2.21Å | |
| S1 | FE4 | sing | 2.28Å | 2.36Å | |
| FE1 | S3 | sing | 2.27Å | 2.30Å | |
| FE1 | S4 | sing | 2.28Å | 2.28Å | |
| FE1 | S2 | sing | 2.28Å | 2.26Å | |
| S2 | FE4 | sing | 2.27Å | 2.35Å | |
| S2 | FE2 | sing | 2.37Å | 2.32Å | |
| S3 | FE3 | sing | 2.27Å | 2.29Å | |
| S3 | FE4 | sing | 2.28Å | 2.30Å | |
| FE3 | S4 | sing | 2.27Å | 2.28Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | NI | 168.1° | 180.0° |
| C | NI | S1 | 78.5° | 87.4° |
| C | NI | S4 | 174.0° | 177.4° |
| S1 | NI | S4 | 101.7° | 95.2° |
| NI | S1 | FE3 | 79.5° | 86.6° |
| NI | S1 | FE4 | 93.1° | 94.9° |
| NI | S4 | FE1 | 105.1° | 94.9° |
| NI | S4 | FE3 | 76.3° | 86.6° |
| FE3 | S1 | FE4 | 68.5° | 70.8° |
| S1 | FE3 | S3 | 109.7° | 108.5° |
| S1 | FE3 | S4 | 101.8° | 91.5° |
| S1 | FE4 | S2 | 123.5° | 107.5° |
| S1 | FE4 | S3 | 104.6° | 107.6° |
| S3 | FE1 | S4 | 108.1° | 107.6° |
| S3 | FE1 | S2 | 102.3° | 104.9° |
| FE1 | S3 | FE3 | 70.6° | 70.9° |
| FE1 | S3 | FE4 | 70.5° | 69.2° |
| S4 | FE1 | S2 | 109.4° | 107.5° |
| FE1 | S4 | FE3 | 71.2° | 70.8° |
| FE1 | S2 | FE4 | 70.1° | 69.2° |
| FE1 | S2 | FE2 | 101.0° | 130.2° |
| FE4 | S2 | FE2 | 97.1° | 130.3° |
| S2 | FE4 | S3 | 99.7° | 104.9° |
| FE3 | S3 | FE4 | 68.3° | 70.7° |
| S3 | FE3 | S4 | 108.4° | 108.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | NI | S1 | 132.1° | 152.0° |
| N | C | NI | S4 | 135.4° | 27.9° |
| C | NI | S1 | S4 | 173.9° | 180.0° |
| C | NI | S1 | FE3 | 167.6° | 178.5° |
| C | NI | S1 | FE4 | 124.9° | 108.0° |
| C | NI | S4 | FE1 | 151.0° | 107.9° |
| C | NI | S4 | FE3 | 85.2° | 178.3° |
| NI | S1 | FE3 | FE4 | 97.6° | 96.4° |
| S1 | NI | S4 | FE1 | 59.7° | 71.9° |
| NI | S1 | FE4 | S2 | 12.3° | 16.0° |
| NI | S1 | FE3 | S3 | 121.0° | 108.3° |
| NI | S1 | FE4 | S3 | 100.2° | 96.5° |
| S1 | NI | S4 | FE3 | 6.2° | 1.5° |
| S4 | NI | S1 | FE4 | 61.2° | 71.9° |
| NI | S4 | FE1 | S3 | 79.7° | 96.8° |
| NI | S4 | FE1 | FE3 | 69.5° | 84.7° |
| NI | S4 | FE1 | S2 | 31.0° | 15.7° |
| NI | S4 | FE3 | S3 | 121.7° | 108.6° |
| S1 | FE3 | S3 | FE1 | 100.2° | 85.8° |
| S1 | FE3 | S4 | FE1 | 105.4° | 97.9° |
| FE3 | S1 | FE4 | S2 | 89.8° | 100.7° |
| S1 | FE3 | S3 | S4 | 110.4° | 98.0° |
| FE3 | S1 | FE4 | S3 | 22.7° | 11.8° |
| S1 | FE4 | S3 | FE1 | 98.1° | 88.0° |
| S1 | FE4 | S2 | FE1 | 83.7° | 88.2° |
| S1 | FE4 | S2 | S3 | 114.9° | 114.3° |
| S1 | FE4 | S2 | FE2 | 15.4° | 146.2° |
| FE4 | S1 | FE3 | S4 | 91.3° | 97.9° |
| S3 | FE1 | S4 | S2 | 110.6° | 112.5° |
| S3 | FE1 | S2 | FE4 | 31.4° | 26.3° |
| S3 | FE1 | S2 | FE2 | 125.0° | 99.5° |
| FE1 | S3 | FE3 | FE4 | 76.1° | 73.9° |
| S3 | FE1 | S4 | FE3 | 10.2° | 12.1° |
| S4 | FE1 | S2 | FE4 | 83.0° | 88.1° |
| S4 | FE1 | S2 | FE2 | 10.6° | 146.1° |
| S4 | FE1 | S3 | FE4 | 83.2° | 88.1° |
| FE1 | S2 | FE4 | FE2 | 99.2° | 125.7° |
| S2 | FE1 | S3 | FE3 | 105.2° | 102.1° |
| S2 | FE1 | S4 | FE3 | 100.4° | 100.4° |
| S2 | FE4 | S3 | FE3 | 106.7° | 102.5° |
| FE2 | S2 | FE4 | S3 | 130.3° | 99.5° |
| FE4 | S3 | FE3 | S4 | 86.2° | 86.1° |
