9Q8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C3 | trip | 1.00Å | 1.02Å | |
O1 | C1 | trip | 1.00Å | 1.03Å | |
C3 | RU | sing | 1.83Å | 1.73Å | |
C1 | RU | sing | 1.83Å | 1.82Å | |
O2 | C2 | trip | 1.00Å | 0.99Å | |
C2 | RU | sing | 1.83Å | 1.75Å | |
RU | O4 | sing | 1.84Å | 2.29Å | |
RU | O5 | sing | 1.84Å | 2.33Å | |
RU | O6 | sing | 1.84Å | 13.94Å | |
O5 | H1 | sing | 0.97Å | 0.95Å | |
O6 | H2 | sing | 0.97Å | 0.00Å | |
O4 | H3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C3 | RU | 176.1° | 180.0° |
O1 | C1 | RU | 178.4° | 179.9° |
C3 | RU | C1 | 84.4° | 90.0° |
C3 | RU | C2 | 85.4° | NaN° |
C3 | RU | O4 | 95.4° | 90.0° |
C3 | RU | O5 | 178.3° | 90.0° |
C3 | RU | O6 | 145.9° | 90.0° |
C1 | RU | C2 | 86.2° | 90.0° |
C1 | RU | O4 | 94.0° | 180.0° |
C1 | RU | O5 | 94.0° | 90.0° |
C1 | RU | O6 | 71.4° | 90.0° |
O2 | C2 | RU | 177.3° | 180.0° |
C2 | RU | O4 | 179.2° | 90.0° |
C2 | RU | O5 | 95.2° | 90.0° |
C2 | RU | O6 | 69.7° | 90.0° |
O4 | RU | O5 | 84.0° | 90.0° |
O4 | RU | O6 | 109.6° | 90.0° |
RU | O4 | H3 | 109.5° | 114.0° |
O5 | RU | O6 | 33.5° | 180.0° |
RU | O5 | H1 | 109.5° | 114.0° |
RU | O6 | H2 | 90.0° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C3 | RU | C1 | 116.0° | 51.1° |
O3 | C3 | RU | C2 | 157.3° | 143.5° |
O3 | C3 | RU | O4 | 22.5° | 128.9° |
O3 | C3 | RU | O5 | 91.8° | 38.9° |
O3 | C3 | RU | O6 | 160.4° | 141.1° |
O1 | C1 | RU | C3 | 81.1° | 61.1° |
O1 | C1 | RU | C2 | 4.6° | 118.9° |
O1 | C1 | RU | O4 | 176.2° | 160.3° |
O1 | C1 | RU | O5 | 99.6° | 28.9° |
O1 | C1 | RU | O6 | 74.4° | 151.1° |
C3 | RU | C1 | C2 | 85.7° | 180.0° |
C3 | RU | C1 | O4 | 95.1° | 99.2° |
C3 | RU | C1 | O5 | 179.3° | 90.0° |
C3 | RU | C1 | O6 | 155.5° | 90.0° |
C3 | RU | C2 | O2 | 105.4° | 124.9° |
C3 | RU | C2 | O4 | 170.8° | 87.6° |
C3 | RU | C2 | O5 | 178.4° | 177.7° |
C3 | RU | C2 | O6 | 156.3° | 2.4° |
C3 | RU | O4 | O5 | 178.4° | 90.0° |
C3 | RU | O4 | O6 | 156.5° | 90.0° |
C3 | RU | O5 | O6 | 71.1° | 45.5° |
C3 | RU | O5 | H1 | 180.0° | 135.0° |
C3 | RU | O6 | H2 | 90.0° | 135.0° |
C3 | RU | O4 | H3 | 180.0° | 45.0° |
C1 | RU | C2 | O2 | 169.8° | 32.6° |
C1 | RU | C2 | O4 | 104.4° | 180.0° |
C1 | RU | C2 | O5 | 93.7° | 90.0° |
C1 | RU | C2 | O6 | 71.6° | 90.0° |
C1 | RU | O4 | O5 | 93.6° | 170.8° |
C1 | RU | O4 | O6 | 71.7° | 9.2° |
C1 | RU | O5 | O6 | 46.9° | 44.5° |
C1 | RU | O5 | H1 | 155.8° | 135.0° |
C1 | RU | O6 | H2 | 90.0° | 45.0° |
C1 | RU | O4 | H3 | 95.2° | 144.2° |
O2 | C2 | RU | O4 | 65.4° | 147.5° |
O2 | C2 | RU | O5 | 76.2° | 57.4° |
O2 | C2 | RU | O6 | 98.3° | 122.5° |
C2 | RU | O4 | O5 | 10.8° | 90.0° |
C2 | RU | O4 | O6 | 32.7° | 90.0° |
C2 | RU | O5 | O6 | 39.7° | 134.5° |
C2 | RU | O5 | H1 | 69.2° | 45.0° |
C2 | RU | O6 | H2 | 90.0° | 45.0° |
C2 | RU | O4 | H3 | 9.2° | 135.0° |
O4 | RU | O5 | O6 | 140.5° | 135.5° |
O4 | RU | O5 | H1 | 110.6° | 45.0° |
O4 | RU | O6 | H2 | 90.0° | 135.0° |
O5 | RU | O6 | H2 | 90.0° | 89.5° |
O5 | RU | O4 | H3 | 1.6° | 45.0° |
O6 | RU | O5 | H1 | 108.9° | 179.5° |
O6 | RU | O4 | H3 | 23.5° | 135.0° |