VF5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O13 | P3 | doub | 1.48Å | 1.48Å | |
O2 | P | doub | 1.48Å | 1.53Å | |
O6 | P1 | doub | 1.48Å | 1.48Å | |
P3 | O14 | sing | 1.63Å | 1.58Å | |
P3 | O12 | sing | 1.61Å | 1.52Å | |
P3 | O11 | sing | 1.63Å | 1.58Å | |
O5 | P1 | sing | 1.61Å | 1.53Å | |
O14 | C8 | sing | 1.45Å | 1.45Å | |
P1 | O4 | sing | 1.61Å | 1.59Å | |
P1 | O7 | sing | 1.61Å | 1.59Å | |
P | O4 | sing | 1.61Å | 1.59Å | |
P | O3 | sing | 1.61Å | 1.48Å | |
P | O1 | sing | 1.61Å | 1.59Å | |
C5 | O | sing | 1.44Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | C7 | sing | 1.55Å | 1.52Å | |
O | C4 | sing | 1.44Å | 1.42Å | |
O11 | C7 | sing | 1.43Å | 1.45Å | |
C4 | C8 | sing | 1.54Å | 1.53Å | |
C4 | N3 | sing | 1.47Å | 1.47Å | |
C6 | O1 | sing | 1.43Å | 1.44Å | |
C8 | C7 | sing | 1.55Å | 1.53Å | |
O7 | P2 | sing | 1.61Å | 1.60Å | |
N3 | C1 | sing | 1.37Å | 1.38Å | Aromatic |
N3 | C3 | sing | 1.36Å | 1.37Å | Aromatic |
O10 | P2 | doub | 1.48Å | 1.49Å | |
N1 | C1 | sing | 1.34Å | 1.35Å | |
N1 | C | doub | 1.31Å | 1.33Å | |
N | C | sing | 1.37Å | 1.34Å | |
C1 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
P2 | O9 | sing | 1.61Å | 1.53Å | |
P2 | O8 | sing | 1.61Å | 1.53Å | |
C3 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
C | N4 | sing | 1.36Å | 1.37Å | |
C2 | N2 | sing | 1.36Å | 1.39Å | Aromatic |
C2 | C9 | sing | 1.41Å | 1.43Å | |
N4 | C9 | sing | 1.35Å | 1.38Å | |
C9 | O15 | doub | 1.22Å | 1.23Å | |
C3 | H1 | sing | 1.08Å | 1.08Å | |
O3 | H2 | sing | 0.97Å | 0.95Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
O5 | H5 | sing | 0.97Å | 0.95Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H8 | sing | 1.09Å | 1.10Å | |
O8 | H9 | sing | 0.97Å | 0.95Å | |
O9 | H10 | sing | 0.97Å | 0.95Å | |
N | H11 | sing | 0.97Å | 1.00Å | |
N | H12 | sing | 0.97Å | 1.00Å | |
C8 | H13 | sing | 1.09Å | 1.10Å | |
N4 | H14 | sing | 0.97Å | 1.00Å | |
O12 | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O13 | P3 | O14 | 114.9° | 110.9° |
O13 | P3 | O12 | 110.5° | 110.7° |
O13 | P3 | O11 | 116.1° | 110.9° |
O2 | P | O4 | 107.0° | 109.5° |
O2 | P | O3 | 114.6° | 109.5° |
O2 | P | O1 | 107.3° | 109.4° |
O6 | P1 | O5 | 115.9° | 109.5° |
O6 | P1 | O4 | 112.0° | 109.5° |
O6 | P1 | O7 | 111.6° | 109.5° |
O14 | P3 | O12 | 108.4° | 110.9° |
O14 | P3 | O11 | 98.7° | 102.2° |
P3 | O14 | C8 | 110.5° | 101.8° |
O12 | P3 | O11 | 107.5° | 110.9° |
P3 | O12 | H15 | 109.5° | 114.0° |
P3 | O11 | C7 | 111.6° | 105.0° |
O5 | P1 | O4 | 107.1° | 109.4° |
O5 | P1 | O7 | 107.3° | 109.5° |
P1 | O5 | H5 | 109.5° | 114.0° |
O14 | C8 | C4 | 112.5° | 107.7° |
O14 | C8 | C7 | 105.1° | 107.3° |
O14 | C8 | H13 | 112.4° | 112.7° |
O4 | P1 | O7 | 101.8° | 109.4° |
P1 | O4 | P | 133.4° | 134.0° |
P1 | O7 | P2 | 134.1° | 134.0° |
O4 | P | O3 | 111.1° | 109.5° |
O4 | P | O1 | 104.8° | 109.4° |
O3 | P | O1 | 111.5° | 109.5° |
P | O3 | H2 | 109.5° | 114.0° |
P | O1 | C6 | 125.7° | 123.0° |
O | C5 | C6 | 109.6° | 110.6° |
O | C5 | C7 | 105.3° | 103.5° |
C5 | O | C4 | 110.7° | 107.0° |
O | C5 | H4 | 109.7° | 110.6° |
C6 | C5 | C7 | 114.8° | 110.6° |
C5 | C6 | O1 | 108.8° | 109.5° |
C6 | C5 | H4 | 108.8° | 110.5° |
C5 | C6 | H6 | 109.7° | 109.4° |
C5 | C6 | H7 | 109.6° | 109.4° |
C5 | C7 | O11 | 110.8° | 109.8° |
C5 | C7 | C8 | 103.3° | 102.4° |
C7 | C5 | H4 | 108.6° | 110.7° |
C5 | C7 | H8 | 111.6° | 111.2° |
O | C4 | C8 | 107.6° | 107.4° |
O | C4 | N3 | 108.5° | 109.8° |
O | C4 | H3 | 109.9° | 110.0° |
O11 | C7 | C8 | 106.3° | 110.3° |
O11 | C7 | H8 | 112.7° | 111.5° |
C8 | C4 | N3 | 113.5° | 109.8° |
C4 | C8 | C7 | 104.0° | 103.9° |
C8 | C4 | H3 | 108.4° | 109.9° |
C4 | C8 | H13 | 111.2° | 112.4° |
C4 | N3 | C1 | 126.9° | 126.2° |
C4 | N3 | C3 | 127.2° | 126.3° |
N3 | C4 | H3 | 109.1° | 109.8° |
O1 | C6 | H6 | 109.7° | 109.5° |
O1 | C6 | H7 | 109.6° | 109.5° |
C8 | C7 | H8 | 111.5° | 111.2° |
C7 | C8 | H13 | 111.2° | 112.3° |
O7 | P2 | O10 | 110.7° | 109.5° |
O7 | P2 | O9 | 106.1° | 109.4° |
O7 | P2 | O8 | 105.6° | 109.5° |
C1 | N3 | C3 | 105.9° | 107.6° |
N3 | C1 | N1 | 125.8° | 134.3° |
N3 | C1 | C2 | 106.0° | 106.0° |
N3 | C3 | N2 | 113.3° | 109.8° |
N3 | C3 | H1 | 123.4° | 125.1° |
O10 | P2 | O9 | 112.9° | 109.5° |
O10 | P2 | O8 | 113.1° | 109.5° |
C1 | N1 | C | 112.6° | 121.1° |
N1 | C1 | C2 | 128.2° | 119.7° |
N1 | C | N | 119.6° | 119.0° |
N1 | C | N4 | 123.5° | 121.9° |
N | C | N4 | 116.9° | 119.1° |
C | N | H11 | 120.0° | 120.0° |
C | N | H12 | 120.0° | 120.0° |
C1 | C2 | N2 | 110.5° | 107.3° |
C1 | C2 | C9 | 118.4° | 118.6° |
O9 | P2 | O8 | 107.9° | 109.5° |
P2 | O9 | H10 | 109.5° | 114.0° |
P2 | O8 | H9 | 109.5° | 114.0° |
C3 | N2 | C2 | 104.3° | 109.4° |
N2 | C3 | H1 | 123.4° | 125.1° |
C | N4 | C9 | 125.2° | 120.3° |
C | N4 | H14 | 117.4° | 119.8° |
N2 | C2 | C9 | 131.1° | 134.2° |
C2 | C9 | N4 | 112.1° | 118.4° |
C2 | C9 | O15 | 127.3° | 120.8° |
N4 | C9 | O15 | 120.6° | 120.8° |
C9 | N4 | H14 | 117.4° | 119.9° |
H6 | C6 | H7 | 109.5° | 109.5° |
H11 | N | H12 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O13 | P3 | O14 | O12 | 124.1° | 123.5° |
O13 | P3 | O14 | O11 | 124.1° | 118.3° |
O13 | P3 | O12 | O11 | 127.6° | 123.6° |
O13 | P3 | O14 | C8 | 144.3° | 152.7° |
O13 | P3 | O11 | C7 | 126.7° | 139.0° |
O13 | P3 | O12 | H15 | 0.0° | 60.0° |
O2 | P | O4 | P1 | 85.0° | 45.1° |
O2 | P | O4 | O3 | 125.8° | 120.0° |
O2 | P | O4 | O1 | 113.7° | 120.0° |
O2 | P | O3 | O1 | 122.1° | 120.0° |
O2 | P | O1 | C6 | 19.0° | 55.0° |
O2 | P | O3 | H2 | 0.0° | 180.0° |
O6 | P1 | O5 | O4 | 125.8° | 120.0° |
O6 | P1 | O5 | O7 | 125.5° | 120.1° |
O6 | P1 | O4 | O7 | 119.3° | 120.0° |
O6 | P1 | O4 | P | 11.6° | 45.0° |
O6 | P1 | O7 | P2 | 143.6° | 40.0° |
O6 | P1 | O5 | H5 | 0.0° | 180.0° |
O14 | P3 | O12 | O11 | 105.7° | 112.8° |
O14 | P3 | O11 | C7 | 3.5° | 20.8° |
P3 | O14 | C8 | C4 | 141.4° | 146.6° |
P3 | O14 | C8 | C7 | 28.9° | 35.3° |
P3 | O14 | C8 | H13 | 92.2° | 88.8° |
O14 | P3 | O12 | H15 | 126.7° | 63.5° |
O12 | P3 | O14 | C8 | 91.6° | 83.9° |
O12 | P3 | O11 | C7 | 109.0° | 97.5° |
O11 | P3 | O14 | C8 | 20.2° | 34.4° |
P3 | O11 | C7 | C5 | 98.7° | 112.4° |
P3 | O11 | C7 | C8 | 13.0° | 0.3° |
P3 | O11 | C7 | H8 | 135.4° | 123.8° |
O11 | P3 | O12 | H15 | 127.6° | 176.3° |
O5 | P1 | O4 | O7 | 112.5° | 120.0° |
O5 | P1 | O4 | P | 139.8° | 75.0° |
O5 | P1 | O7 | P2 | 15.6° | 80.1° |
O14 | C8 | C7 | C5 | 91.3° | 93.2° |
O14 | C8 | C4 | O | 98.2° | 115.8° |
O14 | C8 | C7 | O11 | 25.5° | 23.6° |
O14 | C8 | C4 | C7 | 113.2° | 113.6° |
O14 | C8 | C4 | H13 | 127.1° | 124.7° |
O14 | C8 | C4 | N3 | 141.8° | 124.9° |
O14 | C8 | C7 | H13 | 121.9° | 124.3° |
O14 | C8 | C4 | H3 | 20.5° | 3.9° |
O14 | C8 | C7 | H8 | 148.7° | 147.9° |
P1 | O4 | P | O3 | 40.8° | 75.0° |
P1 | O4 | P | O1 | 161.2° | 165.0° |
O4 | P1 | O7 | P2 | 96.8° | 160.0° |
O4 | P1 | O5 | H5 | 125.8° | 60.0° |
O7 | P1 | O4 | P | 107.7° | 165.0° |
P1 | O7 | P2 | O10 | 6.3° | 44.9° |
P1 | O7 | P2 | O9 | 129.1° | 75.0° |
P1 | O7 | P2 | O8 | 116.6° | 165.0° |
O7 | P1 | O5 | H5 | 125.5° | 59.9° |
O4 | P | O3 | O1 | 116.4° | 120.0° |
O4 | P | O1 | C6 | 94.6° | 175.0° |
O4 | P | O3 | H2 | 121.4° | 60.0° |
O3 | P | O1 | C6 | 145.2° | 65.0° |
P | O1 | C6 | C5 | 86.4° | 180.0° |
O1 | P | O3 | H2 | 122.1° | 60.0° |
P | O1 | C6 | H6 | 153.7° | 60.0° |
P | O1 | C6 | H7 | 33.5° | 60.0° |
O | C5 | C6 | C7 | 118.2° | 114.1° |
O | C5 | C6 | H4 | 119.9° | 122.9° |
O | C5 | C7 | H4 | 117.4° | 118.6° |
O | C5 | C7 | O11 | 143.5° | 154.1° |
C5 | O | C4 | C8 | 4.1° | 26.5° |
C5 | O | C4 | N3 | 127.2° | 145.9° |
O | C5 | C6 | O1 | 155.6° | 66.4° |
O | C5 | C7 | C8 | 30.0° | 36.9° |
C5 | O | C4 | H3 | 113.6° | 93.1° |
O | C5 | C6 | H6 | 35.7° | 53.6° |
O | C5 | C6 | H7 | 84.5° | 173.5° |
O | C5 | C7 | H8 | 89.9° | 81.9° |
C6 | C5 | C7 | H4 | 122.0° | 122.9° |
C6 | C5 | O | C4 | 145.7° | 158.4° |
C6 | C5 | C7 | O11 | 95.9° | 87.4° |
C5 | C6 | O1 | H6 | 119.9° | 120.0° |
C5 | C6 | O1 | H7 | 119.9° | 120.0° |
C6 | C5 | C7 | C8 | 150.6° | 155.4° |
C5 | C6 | H6 | H7 | 120.3° | 120.0° |
C6 | C5 | C7 | H8 | 30.7° | 36.6° |
C7 | C5 | O | C4 | 21.7° | 39.9° |
C5 | C7 | O11 | C8 | 111.6° | 112.1° |
C5 | C7 | O11 | H8 | 125.9° | 123.8° |
C5 | C7 | C8 | C4 | 27.1° | 20.7° |
C7 | C5 | C6 | O1 | 37.4° | 179.5° |
C5 | C7 | C8 | H8 | 120.0° | 118.9° |
C7 | C5 | C6 | H6 | 82.5° | 60.5° |
C7 | C5 | C6 | H7 | 157.3° | 59.5° |
C5 | C7 | C8 | H13 | 146.8° | 142.5° |
O | C4 | C8 | N3 | 120.0° | 119.4° |
O | C4 | C8 | H3 | 118.7° | 119.7° |
O | C4 | N3 | H3 | 119.7° | 121.1° |
O | C4 | C8 | C7 | 15.0° | 2.2° |
O | C4 | N3 | C1 | 175.1° | 157.1° |
O | C4 | N3 | C3 | 4.9° | 23.3° |
C4 | O | C5 | H4 | 95.0° | 78.7° |
O | C4 | C8 | H13 | 134.7° | 119.5° |
O11 | C7 | C8 | C4 | 143.8° | 137.6° |
O11 | C7 | C8 | H8 | 123.2° | 124.3° |
O11 | C7 | C5 | H4 | 26.1° | 35.5° |
O11 | C7 | C8 | H13 | 96.5° | 100.7° |
C8 | C4 | N3 | H3 | 120.9° | 121.0° |
C4 | C8 | C7 | H13 | 119.7° | 121.7° |
C8 | C4 | N3 | C1 | 65.5° | 85.0° |
C8 | C4 | N3 | C3 | 114.5° | 94.6° |
C4 | C8 | C7 | H8 | 92.9° | 98.1° |
N3 | C4 | C8 | C7 | 105.0° | 121.5° |
C4 | N3 | C1 | C3 | 180.0° | 179.6° |
C4 | N3 | C1 | N1 | 0.6° | 0.3° |
C4 | N3 | C1 | C2 | 179.8° | 180.0° |
C4 | N3 | C3 | N2 | 179.8° | 180.0° |
C4 | N3 | C3 | H1 | 0.2° | 0.2° |
N3 | C4 | C8 | H13 | 14.7° | 0.2° |
O1 | C6 | C5 | H4 | 84.5° | 56.5° |
O1 | C6 | H6 | H7 | 120.3° | 120.1° |
C7 | C8 | C4 | H3 | 133.7° | 117.5° |
C8 | C7 | C5 | H4 | 87.4° | 81.7° |
O7 | P2 | O10 | O9 | 118.8° | 120.0° |
O7 | P2 | O10 | O8 | 118.3° | 120.0° |
O7 | P2 | O9 | O8 | 112.8° | 120.0° |
O7 | P2 | O8 | H9 | 121.3° | 180.0° |
O7 | P2 | O9 | H10 | 121.5° | 60.0° |
N3 | C1 | N1 | C2 | 179.6° | 179.6° |
N3 | C1 | N1 | C | 179.7° | 179.7° |
C1 | N3 | C3 | N2 | 0.1° | 0.4° |
N3 | C1 | C2 | N2 | 0.2° | 0.2° |
N3 | C1 | C2 | C9 | 179.9° | 179.8° |
C1 | N3 | C3 | H1 | 179.8° | 179.8° |
C1 | N3 | C4 | H3 | 55.4° | 36.0° |
C3 | N3 | C1 | N1 | 179.4° | 180.0° |
C3 | N3 | C1 | C2 | 0.2° | 0.4° |
N3 | C3 | N2 | H1 | 180.0° | 179.8° |
N3 | C3 | N2 | C2 | 0.0° | 0.2° |
C3 | N3 | C4 | H3 | 124.6° | 144.4° |
O10 | P2 | O9 | O8 | 125.8° | 120.0° |
O10 | P2 | O8 | H9 | 0.0° | 60.0° |
O10 | P2 | O9 | H10 | 0.0° | 180.0° |
C1 | N1 | C | N | 179.9° | 180.0° |
C1 | N1 | C | N4 | 0.1° | 0.0° |
N1 | C1 | C2 | N2 | 179.4° | 180.0° |
N1 | C1 | C2 | C9 | 0.3° | 0.1° |
N1 | C | N | N4 | 179.8° | 180.0° |
C | N1 | C1 | C2 | 0.1° | 0.1° |
N1 | C | N4 | C9 | 0.1° | 0.0° |
N1 | C | N | H11 | 0.0° | 180.0° |
N1 | C | N | H12 | 180.0° | 0.0° |
N1 | C | N4 | H14 | 179.8° | 180.0° |
N | C | N4 | C9 | 180.0° | 180.0° |
C | N | H11 | H12 | 180.0° | 180.0° |
N | C | N4 | H14 | 0.0° | 0.0° |
C1 | C2 | N2 | C3 | 0.1° | 0.0° |
C1 | C2 | N2 | C9 | 179.7° | 180.0° |
C1 | C2 | C9 | N4 | 0.2° | 0.0° |
C1 | C2 | C9 | O15 | 179.9° | 180.0° |
O9 | P2 | O8 | H9 | 125.7° | 60.0° |
O8 | P2 | O9 | H10 | 125.8° | 60.0° |
C3 | N2 | C2 | C9 | 179.8° | 180.0° |
C | N4 | C9 | C2 | 0.0° | 0.0° |
C | N4 | C9 | H14 | 180.0° | 180.0° |
C | N4 | C9 | O15 | 179.9° | 179.9° |
N4 | C | N | H11 | 179.8° | 0.0° |
N4 | C | N | H12 | 0.2° | 180.0° |
N2 | C2 | C9 | N4 | 179.5° | 180.0° |
N2 | C2 | C9 | O15 | 0.4° | 0.1° |
C2 | N2 | C3 | H1 | 180.0° | 180.0° |
C2 | C9 | N4 | O15 | 179.9° | 179.9° |
C2 | C9 | N4 | H14 | 180.0° | 180.0° |
O15 | C9 | N4 | H14 | 0.1° | 0.0° |
H3 | C4 | C8 | H13 | 106.6° | 120.8° |
H4 | C5 | C6 | H6 | 155.6° | 176.4° |
H4 | C5 | C6 | H7 | 35.4° | 63.6° |
H4 | C5 | C7 | H8 | 152.7° | 159.5° |
H8 | C7 | C8 | H13 | 26.8° | 23.6° |