M7B
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O10 | P | doub | 1.48Å | 1.51Å | |
P | O9 | sing | 1.61Å | 1.52Å | |
P | O7 | sing | 1.61Å | 1.58Å | |
P | O8 | sing | 1.61Å | 1.52Å | |
O7 | C7 | sing | 1.43Å | 1.39Å | |
O1 | C1 | sing | 1.43Å | 1.37Å | |
C7 | C6 | sing | 1.53Å | 1.51Å | |
O2 | C2 | sing | 1.43Å | 1.39Å | |
O5 | C1 | sing | 1.43Å | 1.38Å | |
O5 | C5 | sing | 1.43Å | 1.40Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
O6 | C6 | sing | 1.43Å | 1.38Å | |
C6 | C5 | sing | 1.53Å | 1.51Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.39Å | |
C3 | O3 | sing | 1.43Å | 1.37Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | H3 | sing | 0.97Å | 0.95Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
O3 | H5 | sing | 0.97Å | 0.95Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
O4 | H7 | sing | 0.97Å | 0.95Å | |
C5 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
O6 | H10 | sing | 0.97Å | 0.95Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
O8 | H13 | sing | 0.97Å | 0.95Å | |
O9 | H14 | sing | 0.97Å | 0.95Å | |
O1 | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O10 | P | O9 | 109.1° | 109.5° |
O10 | P | O7 | 109.3° | 109.5° |
O10 | P | O8 | 109.3° | 109.5° |
O9 | P | O7 | 111.0° | 109.5° |
O9 | P | O8 | 109.3° | 109.5° |
P | O9 | H14 | 109.5° | 114.0° |
O7 | P | O8 | 108.9° | 109.5° |
P | O7 | C7 | 120.7° | 123.0° |
P | O8 | H13 | 109.5° | 114.0° |
O7 | C7 | C6 | 113.0° | 109.5° |
O7 | C7 | H11 | 108.6° | 109.5° |
O7 | C7 | H12 | 108.6° | 109.5° |
O1 | C1 | O5 | 110.4° | 109.5° |
O1 | C1 | C2 | 110.4° | 109.5° |
O1 | C1 | H1 | 108.8° | 109.5° |
C1 | O1 | H15 | 109.5° | 114.0° |
C7 | C6 | O6 | 106.6° | 109.5° |
C7 | C6 | C5 | 115.6° | 109.5° |
C7 | C6 | H9 | 107.1° | 109.5° |
C6 | C7 | H11 | 108.6° | 109.5° |
C6 | C7 | H12 | 108.6° | 109.5° |
O2 | C2 | C1 | 111.8° | 109.5° |
O2 | C2 | C3 | 111.8° | 109.5° |
O2 | C2 | H2 | 108.2° | 109.6° |
C2 | O2 | H3 | 109.5° | 114.0° |
C1 | O5 | C5 | 110.9° | 114.1° |
O5 | C1 | C2 | 111.5° | 109.4° |
O5 | C1 | H1 | 108.6° | 109.5° |
O5 | C5 | C6 | 116.1° | 109.5° |
O5 | C5 | C4 | 106.8° | 109.4° |
O5 | C5 | H8 | 108.1° | 109.5° |
C1 | C2 | C3 | 111.4° | 109.1° |
C2 | C1 | H1 | 106.9° | 109.4° |
C1 | C2 | H2 | 106.6° | 109.6° |
O6 | C6 | C5 | 111.2° | 109.5° |
O6 | C6 | H9 | 108.9° | 109.5° |
C6 | O6 | H10 | 109.5° | 114.0° |
C6 | C5 | C4 | 111.8° | 109.5° |
C6 | C5 | H8 | 106.7° | 109.5° |
C5 | C6 | H9 | 107.1° | 109.5° |
C2 | C3 | C4 | 112.7° | 109.0° |
C2 | C3 | O3 | 111.7° | 109.5° |
C3 | C2 | H2 | 106.7° | 109.5° |
C2 | C3 | H4 | 106.8° | 109.5° |
C5 | C4 | C3 | 110.0° | 109.2° |
C5 | C4 | O4 | 113.6° | 109.5° |
C5 | C4 | H6 | 107.1° | 109.6° |
C4 | C5 | H8 | 106.8° | 109.5° |
C3 | C4 | O4 | 110.2° | 109.5° |
C4 | C3 | O3 | 110.2° | 109.6° |
C4 | C3 | H4 | 106.6° | 109.7° |
C3 | C4 | H6 | 107.0° | 109.5° |
O4 | C4 | H6 | 108.7° | 109.5° |
C4 | O4 | H7 | 109.5° | 114.0° |
O3 | C3 | H4 | 108.6° | 109.5° |
C3 | O3 | H5 | 109.5° | 114.0° |
H11 | C7 | H12 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O10 | P | O9 | O7 | 120.5° | 120.0° |
O10 | P | O9 | O8 | 119.4° | 120.0° |
O10 | P | O7 | O8 | 119.3° | 120.0° |
O10 | P | O7 | C7 | 174.5° | 55.0° |
O10 | P | O8 | H13 | 0.0° | 180.0° |
O10 | P | O9 | H14 | 0.0° | 60.1° |
O9 | P | O7 | O8 | 120.3° | 120.0° |
O9 | P | O7 | C7 | 54.2° | 175.0° |
O9 | P | O8 | H13 | 119.3° | 60.0° |
P | O7 | C7 | C6 | 102.5° | 180.0° |
P | O7 | C7 | H11 | 137.0° | 59.9° |
P | O7 | C7 | H12 | 18.0° | 60.0° |
O7 | P | O8 | H13 | 119.3° | 59.9° |
O7 | P | O9 | H14 | 120.4° | 179.9° |
O8 | P | O7 | C7 | 66.2° | 65.0° |
O8 | P | O9 | H14 | 119.4° | 59.9° |
O7 | C7 | C6 | H11 | 120.5° | 120.0° |
O7 | C7 | C6 | H12 | 120.5° | 120.1° |
O7 | C7 | C6 | O6 | 29.9° | 65.0° |
O7 | C7 | C6 | C5 | 94.3° | 175.0° |
O7 | C7 | C6 | H9 | 146.4° | 55.0° |
O7 | C7 | H11 | H12 | 118.4° | 120.0° |
O1 | C1 | C2 | O2 | 46.0° | 57.8° |
O1 | C1 | O5 | C2 | 123.1° | 120.0° |
O1 | C1 | O5 | H1 | 119.3° | 120.0° |
O1 | C1 | O5 | C5 | 170.8° | 178.8° |
O1 | C1 | C2 | H1 | 118.3° | 120.0° |
O1 | C1 | C2 | C3 | 172.0° | 177.6° |
O1 | C1 | C2 | H2 | 72.0° | 62.5° |
C7 | C6 | C5 | O5 | 60.9° | 60.1° |
C7 | C6 | O6 | C5 | 126.8° | 120.0° |
C7 | C6 | O6 | H9 | 115.3° | 120.0° |
C7 | C6 | C5 | H9 | 119.3° | 120.0° |
C7 | C6 | C5 | C4 | 62.0° | 180.0° |
C7 | C6 | C5 | H8 | 178.5° | 60.0° |
C7 | C6 | O6 | H10 | 180.0° | 60.0° |
C6 | C7 | H11 | H12 | 118.4° | 120.0° |
O2 | C2 | C1 | O5 | 77.1° | 62.3° |
O2 | C2 | C1 | C3 | 126.0° | 119.9° |
O2 | C2 | C1 | H2 | 118.0° | 120.2° |
O2 | C2 | C3 | H2 | 118.1° | 120.2° |
O2 | C2 | C3 | C4 | 85.4° | 62.9° |
O2 | C2 | C3 | O3 | 39.2° | 56.9° |
O2 | C2 | C1 | H1 | 164.3° | 177.7° |
O2 | C2 | C3 | H4 | 157.8° | 177.1° |
O5 | C1 | C2 | H1 | 118.6° | 120.0° |
C1 | O5 | C5 | C6 | 163.2° | 178.9° |
O5 | C1 | C2 | C3 | 48.9° | 57.6° |
C1 | O5 | C5 | C4 | 71.3° | 61.2° |
O5 | C1 | C2 | H2 | 164.8° | 177.5° |
C1 | O5 | C5 | H8 | 43.3° | 58.8° |
O5 | C1 | O1 | H15 | 180.0° | 60.1° |
C5 | O5 | C1 | C2 | 66.1° | 61.2° |
O5 | C5 | C6 | O6 | 60.8° | 179.9° |
O5 | C5 | C6 | C4 | 123.0° | 119.9° |
O5 | C5 | C6 | H8 | 120.6° | 120.1° |
O5 | C5 | C4 | H8 | 115.5° | 120.0° |
O5 | C5 | C4 | C3 | 60.2° | 57.6° |
O5 | C5 | C4 | O4 | 175.8° | 177.5° |
C5 | O5 | C1 | H1 | 51.5° | 58.8° |
O5 | C5 | C4 | H6 | 55.8° | 62.4° |
O5 | C5 | C6 | H9 | 179.8° | 59.9° |
C1 | C2 | C3 | H2 | 116.0° | 120.0° |
C1 | C2 | C3 | C4 | 40.5° | 57.0° |
C1 | C2 | C3 | O3 | 165.2° | 176.8° |
C1 | C2 | O2 | H3 | 180.0° | 60.0° |
C1 | C2 | C3 | H4 | 76.2° | 63.0° |
C2 | C1 | O1 | H15 | 56.2° | 180.0° |
O6 | C6 | C5 | H9 | 118.9° | 120.0° |
O6 | C6 | C5 | C4 | 176.2° | 60.0° |
O6 | C6 | C5 | H8 | 59.8° | 60.0° |
O6 | C6 | C7 | H11 | 150.4° | 175.0° |
O6 | C6 | C7 | H12 | 90.6° | 55.1° |
C6 | C5 | C4 | H8 | 116.4° | 120.0° |
C6 | C5 | C4 | C3 | 171.7° | 177.6° |
C6 | C5 | C4 | O4 | 47.8° | 62.5° |
C6 | C5 | C4 | H6 | 72.3° | 57.6° |
C5 | C6 | O6 | H10 | 53.2° | 60.0° |
C5 | C6 | C7 | H11 | 26.2° | 55.0° |
C5 | C6 | C7 | H12 | 145.2° | 64.9° |
C2 | C3 | C4 | C5 | 46.9° | 57.0° |
C2 | C3 | C4 | O3 | 125.5° | 119.8° |
C2 | C3 | C4 | H4 | 116.8° | 119.9° |
C2 | C3 | C4 | O4 | 172.9° | 176.9° |
C2 | C3 | O3 | H4 | 117.6° | 120.1° |
C3 | C2 | C1 | H1 | 69.8° | 62.4° |
C3 | C2 | O2 | H3 | 54.2° | 179.6° |
C2 | C3 | O3 | H5 | 180.0° | 59.9° |
C2 | C3 | C4 | H6 | 69.1° | 63.0° |
C5 | C4 | C3 | O4 | 126.0° | 119.9° |
C5 | C4 | C3 | H6 | 116.0° | 120.0° |
C5 | C4 | O4 | H6 | 119.2° | 120.2° |
C5 | C4 | C3 | O3 | 172.4° | 176.8° |
C5 | C4 | C3 | H4 | 69.9° | 62.9° |
C5 | C4 | O4 | H7 | 180.0° | 179.7° |
C4 | C5 | C6 | H9 | 57.3° | 60.0° |
C3 | C4 | O4 | H6 | 117.0° | 120.1° |
C4 | C3 | O3 | H4 | 116.4° | 120.3° |
C4 | C3 | C2 | H2 | 156.5° | 176.9° |
C4 | C3 | O3 | H5 | 53.9° | 179.5° |
C3 | C4 | O4 | H7 | 56.1° | 60.0° |
C3 | C4 | C5 | H8 | 55.3° | 62.4° |
O4 | C4 | C3 | O3 | 61.6° | 63.2° |
O4 | C4 | C3 | H4 | 56.0° | 57.0° |
O4 | C4 | C5 | H8 | 68.6° | 57.6° |
O3 | C3 | C2 | H2 | 78.9° | 63.2° |
O3 | C3 | C4 | H6 | 56.4° | 56.8° |
H1 | C1 | C2 | H2 | 46.2° | 57.5° |
H1 | C1 | O1 | H15 | 60.9° | 60.0° |
H2 | C2 | O2 | H3 | 62.9° | 60.2° |
H2 | C2 | C3 | H4 | 39.7° | 56.9° |
H4 | C3 | O3 | H5 | 62.5° | 60.2° |
H4 | C3 | C4 | H6 | 174.0° | 177.1° |
H6 | C4 | O4 | H7 | 60.8° | 60.1° |
H6 | C4 | C5 | H8 | 171.3° | 177.7° |
H8 | C5 | C6 | H9 | 59.2° | 180.0° |
H9 | C6 | O6 | H10 | 64.7° | 180.0° |
H9 | C6 | C7 | H11 | 93.1° | 65.1° |
H9 | C6 | C7 | H12 | 25.9° | 175.0° |