BF6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | doub | 1.21Å | 1.23Å | |
| O2 | C2 | doub | 1.22Å | 1.35Å | |
| C3 | CA3 | sing | 1.51Å | 1.51Å | |
| C2 | N3 | sing | 1.35Å | 1.32Å | |
| C2 | CA2 | sing | 1.48Å | 1.45Å | |
| CA3 | N3 | sing | 1.47Å | 1.46Å | |
| CB2 | CA2 | doub | 1.37Å | 1.48Å | |
| CB2 | CG2 | sing | 1.47Å | 1.48Å | |
| CD2 | CE2 | doub | 1.37Å | 1.37Å | Aromatic |
| CD2 | CG2 | sing | 1.40Å | 1.38Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C1 | sing | 1.37Å | 1.37Å | |
| CA2 | N2 | sing | 1.37Å | 1.34Å | |
| C01 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.40Å | 1.38Å | Aromatic |
| CG2 | CD1 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N2 | doub | 1.30Å | 1.37Å | |
| C1 | CA1 | sing | 1.51Å | 1.51Å | |
| CZ | C07 | sing | 1.48Å | 1.50Å | |
| CZ | CE1 | doub | 1.40Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.37Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.50Å | |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | O08 | doub | 1.22Å | 1.22Å | |
| CA1 | N1 | sing | 1.47Å | 1.48Å | |
| C3 | OXT | sing | 1.34Å | 1.34Å | |
| CB2 | H1 | sing | 1.08Å | 1.08Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CA1 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| CE2 | H12 | sing | 1.08Å | 1.08Å | |
| CD2 | H13 | sing | 1.08Å | 1.08Å | |
| CD1 | H14 | sing | 1.08Å | 1.08Å | |
| CE1 | H15 | sing | 1.08Å | 1.08Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | CA3 | 120.0° | 120.0° |
| O3 | C3 | OXT | 111.4° | 120.0° |
| O2 | C2 | N3 | 127.2° | 127.4° |
| O2 | C2 | CA2 | 123.2° | 127.4° |
| C3 | CA3 | N3 | 114.1° | 109.4° |
| CA3 | C3 | OXT | 102.3° | 120.0° |
| C3 | CA3 | HA31 | 108.3° | 109.5° |
| C3 | CA3 | HA32 | 108.3° | 109.5° |
| N3 | C2 | CA2 | 109.6° | 105.2° |
| C2 | N3 | CA3 | 127.1° | 125.9° |
| C2 | N3 | C1 | 104.8° | 108.4° |
| C2 | CA2 | CB2 | 126.3° | 127.2° |
| C2 | CA2 | N2 | 107.1° | 105.7° |
| CA3 | N3 | C1 | 128.1° | 125.8° |
| N3 | CA3 | HA31 | 108.3° | 109.5° |
| N3 | CA3 | HA32 | 108.3° | 109.5° |
| CA2 | CB2 | CG2 | 129.5° | 120.0° |
| CB2 | CA2 | N2 | 126.6° | 127.2° |
| CA2 | CB2 | H1 | 115.3° | 120.0° |
| CB2 | CG2 | CD2 | 114.4° | 120.1° |
| CB2 | CG2 | CD1 | 125.2° | 120.0° |
| CG2 | CB2 | H1 | 115.2° | 120.0° |
| CE2 | CD2 | CG2 | 121.7° | 120.0° |
| CD2 | CE2 | CZ | 119.0° | 120.0° |
| CD2 | CE2 | H12 | 120.5° | 120.0° |
| CE2 | CD2 | H13 | 119.1° | 120.0° |
| CD2 | CG2 | CD1 | 120.2° | 119.9° |
| CG2 | CD2 | H13 | 119.1° | 120.0° |
| C01 | C02 | C03 | 119.8° | 120.2° |
| C02 | C01 | C06 | 120.9° | 119.8° |
| C02 | C01 | H7 | 119.6° | 120.0° |
| C01 | C02 | H8 | 120.1° | 120.0° |
| C02 | C03 | C04 | 119.5° | 120.3° |
| C03 | C02 | H8 | 120.1° | 119.8° |
| C02 | C03 | H9 | 120.3° | 119.9° |
| N3 | C1 | N2 | 113.0° | 111.4° |
| N3 | C1 | CA1 | 124.0° | 124.3° |
| CA2 | N2 | C1 | 105.5° | 109.3° |
| C01 | C06 | C07 | 122.0° | 120.1° |
| C01 | C06 | C05 | 119.2° | 119.7° |
| C06 | C01 | H7 | 119.6° | 120.1° |
| CE2 | CZ | C07 | 119.0° | 119.9° |
| CE2 | CZ | CE1 | 119.9° | 120.1° |
| CZ | CE2 | H12 | 120.5° | 120.0° |
| CG2 | CD1 | CE1 | 118.0° | 120.0° |
| CG2 | CD1 | H14 | 121.0° | 120.0° |
| C03 | C04 | C05 | 120.7° | 120.1° |
| C04 | C03 | H9 | 120.3° | 119.8° |
| C03 | C04 | H10 | 119.6° | 119.9° |
| N2 | C1 | CA1 | 122.9° | 124.3° |
| C1 | CA1 | N1 | 106.6° | 109.5° |
| C1 | CA1 | HA1 | 110.2° | 109.5° |
| C1 | CA1 | H6 | 110.2° | 109.5° |
| C07 | CZ | CE1 | 121.1° | 120.0° |
| CZ | C07 | C06 | 121.8° | 120.1° |
| CZ | C07 | O08 | 119.5° | 120.0° |
| CZ | CE1 | CD1 | 121.1° | 120.1° |
| CZ | CE1 | H15 | 119.4° | 119.9° |
| CE1 | CD1 | H14 | 121.0° | 120.0° |
| CD1 | CE1 | H15 | 119.4° | 120.0° |
| C07 | C06 | C05 | 118.8° | 120.2° |
| C06 | C07 | O08 | 118.7° | 119.9° |
| C06 | C05 | C04 | 119.9° | 119.8° |
| C06 | C05 | H11 | 120.1° | 120.1° |
| C05 | C04 | H10 | 119.6° | 120.0° |
| C04 | C05 | H11 | 120.0° | 120.1° |
| N1 | CA1 | HA1 | 110.2° | 109.5° |
| N1 | CA1 | H6 | 110.2° | 109.4° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.4° | 111.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
| HA1 | CA1 | H6 | 109.5° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | CA3 | OXT | 123.8° | 180.0° |
| O3 | C3 | CA3 | N3 | 161.4° | 0.0° |
| O3 | C3 | CA3 | HA31 | 77.9° | 120.0° |
| O3 | C3 | CA3 | HA32 | 40.7° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| O2 | C2 | N3 | CA2 | 178.7° | 179.9° |
| O2 | C2 | N3 | CA3 | 0.4° | 0.1° |
| O2 | C2 | CA2 | CB2 | 2.9° | 0.1° |
| O2 | C2 | N3 | C1 | 179.5° | 179.9° |
| O2 | C2 | CA2 | N2 | 179.7° | 179.8° |
| C3 | CA3 | N3 | C2 | 54.7° | 90.0° |
| C3 | CA3 | N3 | HA31 | 120.7° | 120.0° |
| C3 | CA3 | N3 | HA32 | 120.7° | 120.0° |
| C3 | CA3 | N3 | C1 | 126.4° | 89.8° |
| C3 | CA3 | HA31 | HA32 | 117.9° | 120.0° |
| CA3 | C3 | OXT | HXT | 129.4° | 180.0° |
| C2 | N3 | CA3 | C1 | 178.9° | 179.8° |
| N3 | C2 | CA2 | CB2 | 178.4° | 180.0° |
| N3 | C2 | CA2 | N2 | 1.0° | 0.2° |
| C2 | N3 | C1 | N2 | 0.4° | 0.0° |
| C2 | N3 | C1 | CA1 | 179.2° | 179.8° |
| C2 | N3 | CA3 | HA31 | 175.4° | 30.0° |
| C2 | N3 | CA3 | HA32 | 66.0° | 150.1° |
| CA2 | C2 | N3 | CA3 | 178.3° | 180.0° |
| C2 | CA2 | CB2 | N2 | 176.9° | 179.7° |
| C2 | CA2 | CB2 | CG2 | 177.8° | 175.0° |
| CA2 | C2 | N3 | C1 | 0.8° | 0.2° |
| C2 | CA2 | N2 | C1 | 0.7° | 0.2° |
| C2 | CA2 | CB2 | H1 | 2.3° | 4.7° |
| CA3 | N3 | C1 | N2 | 178.7° | 179.9° |
| CA3 | N3 | C1 | CA1 | 0.1° | 0.0° |
| N3 | CA3 | C3 | OXT | 74.8° | 180.0° |
| N3 | CA3 | HA31 | HA32 | 117.9° | 120.1° |
| CA2 | CB2 | CG2 | H1 | 180.0° | 179.8° |
| CA2 | CB2 | CG2 | CD2 | 169.8° | 5.9° |
| CA2 | CB2 | CG2 | CD1 | 6.0° | 174.0° |
| CB2 | CA2 | N2 | C1 | 178.1° | 180.0° |
| CB2 | CG2 | CD2 | CE2 | 177.8° | 180.0° |
| CB2 | CG2 | CD2 | CD1 | 176.0° | 180.0° |
| CG2 | CB2 | CA2 | N2 | 5.3° | 5.3° |
| CB2 | CG2 | CD1 | CE1 | 177.4° | 179.7° |
| CB2 | CG2 | CD2 | H13 | 2.2° | 0.1° |
| CB2 | CG2 | CD1 | H14 | 2.6° | 0.0° |
| CE2 | CD2 | CG2 | H13 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | H12 | 180.0° | 179.9° |
| CE2 | CD2 | CG2 | CD1 | 1.7° | 0.1° |
| CD2 | CE2 | CZ | C07 | 179.9° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 1.2° | 0.3° |
| CG2 | CD2 | CE2 | CZ | 0.2° | 0.0° |
| CD2 | CG2 | CD1 | CE1 | 1.8° | 0.2° |
| CD2 | CG2 | CB2 | H1 | 10.2° | 174.3° |
| CG2 | CD2 | CE2 | H12 | 179.8° | 179.9° |
| CD2 | CG2 | CD1 | H14 | 178.2° | 180.0° |
| C01 | C02 | C03 | H8 | 180.0° | 180.0° |
| C02 | C01 | C06 | H7 | 180.0° | 179.7° |
| C01 | C02 | C03 | C04 | 0.4° | 0.1° |
| C02 | C01 | C06 | C07 | 179.9° | 179.7° |
| C02 | C01 | C06 | C05 | 1.4° | 0.0° |
| C01 | C02 | C03 | H9 | 179.6° | 179.9° |
| C03 | C02 | C01 | C06 | 1.4° | 0.0° |
| C02 | C03 | C04 | H9 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.6° | 0.1° |
| C03 | C02 | C01 | H7 | 178.6° | 179.7° |
| C02 | C03 | C04 | H10 | 179.4° | 180.0° |
| N3 | C1 | N2 | CA2 | 0.2° | 0.1° |
| N3 | C1 | N2 | CA1 | 178.8° | 179.9° |
| N3 | C1 | CA1 | N1 | 64.6° | 179.8° |
| C1 | N3 | CA3 | HA31 | 5.7° | 150.2° |
| C1 | N3 | CA3 | HA32 | 112.9° | 30.2° |
| N3 | C1 | CA1 | HA1 | 175.9° | 60.1° |
| N3 | C1 | CA1 | H6 | 55.0° | 59.9° |
| CA2 | N2 | C1 | CA1 | 178.6° | 180.0° |
| N2 | CA2 | CB2 | H1 | 174.7° | 175.0° |
| C01 | C06 | C07 | CZ | 59.3° | 25.9° |
| C01 | C06 | C07 | C05 | 178.5° | 179.7° |
| C01 | C06 | C05 | C04 | 0.5° | 0.1° |
| C01 | C06 | C07 | O08 | 121.8° | 154.2° |
| C06 | C01 | C02 | H8 | 178.6° | 180.0° |
| C01 | C06 | C05 | H11 | 179.5° | 180.0° |
| CE2 | CZ | C07 | CE1 | 178.9° | 179.7° |
| CE2 | CZ | CE1 | CD1 | 1.1° | 0.6° |
| CE2 | CZ | C07 | C06 | 11.4° | 19.5° |
| CE2 | CZ | C07 | O08 | 169.8° | 160.5° |
| CZ | CE2 | CD2 | H13 | 179.8° | 179.9° |
| CE2 | CZ | CE1 | H15 | 178.9° | 179.7° |
| CG2 | CD1 | CE1 | CZ | 0.5° | 0.5° |
| CG2 | CD1 | CE1 | H14 | 180.0° | 179.8° |
| CD1 | CG2 | CB2 | H1 | 173.9° | 5.7° |
| CD1 | CG2 | CD2 | H13 | 178.2° | 180.0° |
| CG2 | CD1 | CE1 | H15 | 179.6° | 179.8° |
| C03 | C04 | C05 | C06 | 0.6° | 0.1° |
| C03 | C04 | C05 | H10 | 180.0° | 179.9° |
| C04 | C03 | C02 | H8 | 179.6° | 180.0° |
| C03 | C04 | C05 | H11 | 179.5° | 180.0° |
| N2 | C1 | CA1 | N1 | 114.1° | 0.0° |
| N2 | C1 | CA1 | HA1 | 5.4° | 120.0° |
| N2 | C1 | CA1 | H6 | 126.4° | 120.0° |
| C1 | CA1 | N1 | HA1 | 119.5° | 120.0° |
| C1 | CA1 | N1 | H6 | 119.5° | 120.0° |
| C1 | CA1 | HA1 | H6 | 121.3° | 120.0° |
| C1 | CA1 | N1 | H | 180.0° | 56.1° |
| C1 | CA1 | N1 | H2 | 60.0° | 180.0° |
| C07 | CZ | CE1 | CD1 | 179.9° | 179.7° |
| CZ | C07 | C06 | O08 | 178.9° | 180.0° |
| CZ | C07 | C06 | C05 | 122.2° | 154.5° |
| C07 | CZ | CE2 | H12 | 0.1° | 0.1° |
| C07 | CZ | CE1 | H15 | 0.0° | 0.0° |
| CZ | CE1 | CD1 | H15 | 180.0° | 179.7° |
| CE1 | CZ | C07 | C06 | 167.5° | 160.8° |
| CE1 | CZ | C07 | O08 | 11.4° | 19.2° |
| CE1 | CZ | CE2 | H12 | 178.8° | 179.8° |
| CZ | CE1 | CD1 | H14 | 179.6° | 179.7° |
| C07 | C06 | C05 | C04 | 179.0° | 179.8° |
| C07 | C06 | C01 | H7 | 0.1° | 0.0° |
| C07 | C06 | C05 | H11 | 1.0° | 0.3° |
| C06 | C05 | C04 | H11 | 180.0° | 179.9° |
| C05 | C06 | C07 | O08 | 56.7° | 25.5° |
| C05 | C06 | C01 | H7 | 178.6° | 179.7° |
| C06 | C05 | C04 | H10 | 179.5° | 179.9° |
| C05 | C04 | C03 | H9 | 179.4° | 180.0° |
| N1 | CA1 | HA1 | H6 | 121.3° | 120.0° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| OXT | C3 | CA3 | HA31 | 45.9° | 60.0° |
| OXT | C3 | CA3 | HA32 | 164.5° | 60.0° |
| HA1 | CA1 | N1 | H | 60.5° | 64.0° |
| HA1 | CA1 | N1 | H2 | 179.5° | 60.0° |
| H6 | CA1 | N1 | H | 60.4° | 176.0° |
| H6 | CA1 | N1 | H2 | 59.6° | 60.0° |
| H7 | C01 | C02 | H8 | 1.4° | 0.3° |
| H8 | C02 | C03 | H9 | 0.4° | 0.1° |
| H9 | C03 | C04 | H10 | 0.6° | 0.1° |
| H10 | C04 | C05 | H11 | 0.5° | 0.0° |
| H12 | CE2 | CD2 | H13 | 0.2° | 0.0° |
| H14 | CD1 | CE1 | H15 | 0.4° | 0.0° |
