RU3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C1 | doub | 1.21Å | 1.22Å | |
N1 | RU1 | sing | 2.12Å | 1.80Å | |
N4 | RU | sing | 2.12Å | 1.80Å | |
N5 | RU | sing | 2.12Å | 1.80Å | |
C1 | O3 | sing | 1.34Å | 1.45Å | |
O3 | RU | sing | 1.84Å | 1.80Å | |
O1 | RU1 | sing | 1.84Å | 1.80Å | |
O1 | C | sing | 1.34Å | 1.46Å | |
RU | O | sing | 1.84Å | 1.82Å | |
RU | N7 | sing | 2.12Å | 1.80Å | |
RU | N6 | sing | 2.12Å | 1.80Å | |
N | RU1 | sing | 2.12Å | 1.80Å | |
RU1 | N2 | sing | 2.12Å | 1.80Å | |
RU1 | O | sing | 1.84Å | 1.82Å | |
RU1 | N3 | sing | 2.12Å | 1.80Å | |
C | O2 | doub | 1.21Å | 1.22Å | |
N | H1 | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
C | H3 | sing | 1.08Å | 1.08Å | |
C1 | H4 | sing | 1.08Å | 1.08Å | |
N1 | H5 | sing | 1.01Å | 1.00Å | |
N1 | H6 | sing | 1.01Å | 1.00Å | |
N2 | H7 | sing | 1.01Å | 1.00Å | |
N2 | H8 | sing | 1.01Å | 1.00Å | |
N3 | H9 | sing | 1.01Å | 1.00Å | |
N3 | H10 | sing | 1.01Å | 1.00Å | |
N4 | H11 | sing | 1.01Å | 1.00Å | |
N4 | H12 | sing | 1.01Å | 1.00Å | |
N5 | H13 | sing | 1.01Å | 1.00Å | |
N5 | H14 | sing | 1.01Å | 1.00Å | |
N6 | H15 | sing | 1.01Å | 1.00Å | |
N6 | H16 | sing | 1.01Å | 1.00Å | |
N7 | H17 | sing | 1.01Å | 1.00Å | |
N7 | H18 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C1 | O3 | 120.5° | 120.0° |
O4 | C1 | H4 | 119.8° | 120.0° |
N1 | RU1 | O1 | 89.8° | 90.0° |
N1 | RU1 | N | 90.8° | 90.0° |
N1 | RU1 | N2 | 89.5° | 90.0° |
N1 | RU1 | O | 90.9° | 90.0° |
N1 | RU1 | N3 | 179.3° | 180.0° |
RU1 | N1 | H5 | 109.5° | 111.0° |
RU1 | N1 | H6 | 109.5° | 111.0° |
N4 | RU | N5 | 89.5° | 90.0° |
N4 | RU | O3 | 89.0° | 90.0° |
N4 | RU | O | 93.9° | 90.0° |
N4 | RU | N7 | 91.0° | 90.0° |
N4 | RU | N6 | 178.2° | 180.0° |
RU | N4 | H11 | 109.5° | 111.0° |
RU | N4 | H12 | 109.5° | 111.0° |
N5 | RU | O3 | 90.2° | 90.0° |
N5 | RU | O | 89.2° | 90.0° |
N5 | RU | N7 | 179.2° | 180.0° |
N5 | RU | N6 | 90.0° | 90.0° |
RU | N5 | H13 | 109.5° | 111.0° |
RU | N5 | H14 | 109.5° | 111.0° |
C1 | O3 | RU | 121.8° | 117.0° |
O3 | C1 | H4 | 119.7° | 120.1° |
O3 | RU | O | 177.0° | 179.9° |
O3 | RU | N7 | 89.2° | 90.0° |
O3 | RU | N6 | 89.2° | 90.0° |
RU1 | O1 | C | 120.2° | 117.0° |
O1 | RU1 | N | 87.9° | 90.0° |
O1 | RU1 | N2 | 90.1° | 90.0° |
O1 | RU1 | O | 178.1° | NaN° |
O1 | RU1 | N3 | 89.9° | 90.0° |
O1 | C | O2 | 120.3° | 120.0° |
O1 | C | H3 | 119.9° | 120.0° |
O | RU | N7 | 91.4° | 90.0° |
O | RU | N6 | 87.9° | 90.0° |
RU | O | RU1 | 133.2° | 114.0° |
N7 | RU | N6 | 89.5° | 90.0° |
RU | N7 | H17 | 109.5° | 111.0° |
RU | N7 | H18 | 109.5° | 111.0° |
RU | N6 | H15 | 109.5° | 111.0° |
RU | N6 | H16 | 109.5° | 111.0° |
N | RU1 | N2 | 177.9° | 180.0° |
N | RU1 | O | 93.9° | 90.0° |
N | RU1 | N3 | 89.8° | 90.0° |
RU1 | N | H1 | 109.5° | 111.0° |
RU1 | N | H2 | 109.5° | 111.0° |
N2 | RU1 | O | 88.2° | 90.0° |
N2 | RU1 | N3 | 89.9° | 90.0° |
RU1 | N2 | H7 | 109.5° | 111.0° |
RU1 | N2 | H8 | 109.5° | 110.9° |
O | RU1 | N3 | 89.4° | 90.0° |
RU1 | N3 | H9 | 109.5° | 111.0° |
RU1 | N3 | H10 | 109.5° | 111.0° |
O2 | C | H3 | 119.8° | 120.0° |
H1 | N | H2 | 109.5° | 111.0° |
H5 | N1 | H6 | 109.5° | 110.9° |
H7 | N2 | H8 | 109.4° | 111.0° |
H9 | N3 | H10 | 109.5° | 111.0° |
H11 | N4 | H12 | 109.5° | 111.0° |
H13 | N5 | H14 | 109.4° | 111.0° |
H15 | N6 | H16 | 109.4° | 111.0° |
H17 | N7 | H18 | 109.4° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C1 | O3 | H4 | 180.0° | 179.9° |
O4 | C1 | O3 | RU | 84.2° | 180.0° |
N1 | RU1 | O1 | N | 90.8° | 90.0° |
N1 | RU1 | O1 | N2 | 89.5° | 90.0° |
N1 | RU1 | O1 | O | 111.8° | 120.0° |
N1 | RU1 | O1 | N3 | 179.4° | 180.0° |
N1 | RU1 | O1 | C | 168.0° | 135.0° |
N1 | RU1 | O | RU | 67.2° | 54.4° |
N1 | RU1 | N | N2 | 97.7° | 129.6° |
N1 | RU1 | N | O | 91.0° | 90.0° |
N1 | RU1 | N | N3 | 179.6° | 180.0° |
N1 | RU1 | N2 | O | 90.9° | 90.0° |
N1 | RU1 | N2 | N3 | 179.6° | 180.0° |
N1 | RU1 | O | N3 | 179.4° | 180.0° |
N1 | RU1 | N | H1 | 180.0° | 45.0° |
N1 | RU1 | N | H2 | 60.0° | 78.9° |
RU1 | N1 | H5 | H6 | 120.0° | 124.0° |
N1 | RU1 | N2 | H7 | 180.0° | 165.9° |
N1 | RU1 | N2 | H8 | 60.0° | 70.2° |
N1 | RU1 | N3 | H9 | 180.0° | 52.9° |
N1 | RU1 | N3 | H10 | 60.0° | 176.7° |
N4 | RU | N5 | O3 | 89.0° | 90.0° |
N4 | RU | N5 | O | 93.9° | 90.0° |
N4 | RU | N5 | N7 | 123.6° | 165.6° |
N4 | RU | N5 | N6 | 178.3° | 180.0° |
N4 | RU | O3 | C1 | 25.5° | 135.0° |
N4 | RU | O3 | O | 167.2° | 158.4° |
N4 | RU | O3 | N7 | 91.0° | 90.0° |
N4 | RU | O3 | N6 | 179.5° | 180.0° |
N4 | RU | O | N7 | 91.1° | 90.0° |
N4 | RU | O | N6 | 179.5° | 180.0° |
N4 | RU | N7 | N6 | 178.2° | 180.0° |
N4 | RU | O | RU1 | 26.7° | 173.5° |
RU | N4 | H11 | H12 | 120.0° | 123.9° |
N4 | RU | N5 | H13 | 180.0° | 11.0° |
N4 | RU | N5 | H14 | 60.0° | 135.0° |
N4 | RU | N6 | H15 | 180.0° | 162.3° |
N4 | RU | N6 | H16 | 60.0° | 73.8° |
N4 | RU | N7 | H17 | 180.0° | 171.2° |
N4 | RU | N7 | H18 | 60.0° | 64.8° |
N5 | RU | O3 | C1 | 115.0° | 45.0° |
N5 | RU | O3 | O | 77.8° | 68.4° |
N5 | RU | O3 | N7 | 179.6° | 180.0° |
N5 | RU | O3 | N6 | 90.0° | 90.0° |
N5 | RU | O | N7 | 179.5° | 180.0° |
N5 | RU | O | N6 | 90.0° | 90.0° |
N5 | RU | N7 | N6 | 54.6° | 14.4° |
N5 | RU | O | RU1 | 116.1° | 96.5° |
N5 | RU | N4 | H11 | 180.0° | 11.1° |
N5 | RU | N4 | H12 | 60.0° | 135.0° |
RU | N5 | H13 | H14 | 120.0° | 124.0° |
N5 | RU | N6 | H15 | 106.6° | 147.0° |
N5 | RU | N6 | H16 | 133.4° | 23.1° |
N5 | RU | N7 | H17 | 56.4° | 23.2° |
N5 | RU | N7 | H18 | 176.4° | 100.7° |
C1 | O3 | RU | O | 167.2° | 23.4° |
C1 | O3 | RU | N7 | 65.4° | 135.0° |
C1 | O3 | RU | N6 | 155.0° | 45.0° |
O3 | RU | O | N7 | 101.7° | 111.6° |
O3 | RU | O | N6 | 12.2° | 21.6° |
O3 | RU | N7 | N6 | 89.2° | 90.0° |
O3 | RU | O | RU1 | 166.1° | 28.1° |
RU | O3 | C1 | H4 | 95.8° | 0.0° |
O3 | RU | N4 | H11 | 89.8° | 79.0° |
O3 | RU | N4 | H12 | 150.2° | 45.0° |
O3 | RU | N5 | H13 | 91.0° | 101.0° |
O3 | RU | N5 | H14 | 29.0° | 135.0° |
O3 | RU | N6 | H15 | 163.2° | 57.0° |
O3 | RU | N6 | H16 | 43.2° | 66.9° |
O3 | RU | N7 | H17 | 91.0° | 81.2° |
O3 | RU | N7 | H18 | 149.0° | 154.9° |
O1 | RU1 | O | RU | 179.0° | 90.0° |
O1 | RU1 | N | N2 | 8.0° | 39.6° |
O1 | RU1 | N | O | 179.3° | 180.0° |
O1 | RU1 | N | N3 | 89.9° | 90.0° |
O1 | RU1 | N2 | O | 179.3° | 180.0° |
O1 | RU1 | N2 | N3 | 89.9° | 90.0° |
O1 | RU1 | O | N3 | 67.6° | 90.0° |
RU1 | O1 | C | O2 | 55.0° | 180.0° |
O1 | RU1 | N | H1 | 90.3° | 45.0° |
O1 | RU1 | N | H2 | 29.7° | 168.9° |
RU1 | O1 | C | H3 | 125.0° | 0.0° |
O1 | RU1 | N1 | H5 | 180.0° | 129.9° |
O1 | RU1 | N1 | H6 | 60.0° | 6.0° |
O1 | RU1 | N2 | H7 | 90.2° | 75.9° |
O1 | RU1 | N2 | H8 | 149.8° | 160.2° |
O1 | RU1 | N3 | H9 | 121.5° | 134.9° |
O1 | RU1 | N3 | H10 | 118.4° | 11.1° |
C | O1 | RU1 | N | 101.2° | 135.0° |
C | O1 | RU1 | N2 | 78.5° | 45.0° |
C | O1 | RU1 | O | 56.2° | 90.0° |
C | O1 | RU1 | N3 | 11.4° | 45.0° |
O1 | C | O2 | H3 | 180.0° | 180.0° |
O | RU | N7 | N6 | 87.9° | 90.0° |
RU | O | RU1 | N | 23.7° | 144.4° |
RU | O | RU1 | N2 | 156.6° | 35.6° |
RU | O | RU1 | N3 | 113.4° | 125.6° |
O | RU | N4 | H11 | 90.9° | 101.0° |
O | RU | N4 | H12 | 29.2° | 135.0° |
O | RU | N5 | H13 | 86.2° | 79.0° |
O | RU | N5 | H14 | 153.9° | 44.9° |
O | RU | N6 | H15 | 17.4° | 123.0° |
O | RU | N6 | H16 | 137.4° | 113.1° |
O | RU | N7 | H17 | 86.1° | 98.8° |
O | RU | N7 | H18 | 33.9° | 25.2° |
N7 | RU | O | RU1 | 64.4° | 83.4° |
N7 | RU | N4 | H11 | 0.6° | 169.0° |
N7 | RU | N4 | H12 | 120.7° | 45.0° |
N7 | RU | N5 | H13 | 56.4° | 154.5° |
N7 | RU | N5 | H14 | 63.6° | 30.6° |
N7 | RU | N6 | H15 | 74.1° | 33.0° |
N7 | RU | N6 | H16 | 46.0° | 156.9° |
RU | N7 | H17 | H18 | 120.0° | 123.9° |
N6 | RU | O | RU1 | 153.9° | 6.5° |
N6 | RU | N4 | H11 | 106.6° | 61.7° |
N6 | RU | N4 | H12 | 133.4° | 174.3° |
N6 | RU | N5 | H13 | 1.7° | 169.0° |
N6 | RU | N5 | H14 | 118.3° | 45.0° |
RU | N6 | H15 | H16 | 120.0° | 124.0° |
N6 | RU | N7 | H17 | 1.8° | 8.8° |
N6 | RU | N7 | H18 | 121.7° | 115.1° |
N | RU1 | N2 | O | 171.3° | 140.4° |
N | RU1 | N2 | N3 | 81.9° | 50.4° |
N | RU1 | O | N3 | 89.7° | 90.0° |
RU1 | N | H1 | H2 | 120.0° | 123.9° |
N | RU1 | N1 | H5 | 92.1° | 39.9° |
N | RU1 | N1 | H6 | 27.9° | 84.0° |
N | RU1 | N2 | H7 | 82.3° | 36.3° |
N | RU1 | N2 | H8 | 157.8° | 160.1° |
N | RU1 | N3 | H9 | 33.7° | 135.1° |
N | RU1 | N3 | H10 | 153.7° | 101.1° |
N2 | RU1 | O | N3 | 90.0° | 90.0° |
N2 | RU1 | N | H1 | 82.3° | 84.6° |
N2 | RU1 | N | H2 | 37.7° | 151.5° |
N2 | RU1 | N1 | H5 | 89.9° | 140.1° |
N2 | RU1 | N1 | H6 | 150.1° | 96.0° |
RU1 | N2 | H7 | H8 | 120.0° | 123.9° |
N2 | RU1 | N3 | H9 | 148.4° | 45.0° |
N2 | RU1 | N3 | H10 | 28.4° | 78.9° |
O | RU1 | N | H1 | 89.0° | 135.0° |
O | RU1 | N | H2 | 151.0° | 11.1° |
O | RU1 | N1 | H5 | 1.7° | 50.1° |
O | RU1 | N1 | H6 | 121.7° | 174.0° |
O | RU1 | N2 | H7 | 89.1° | 104.1° |
O | RU1 | N2 | H8 | 30.9° | 19.8° |
O | RU1 | N3 | H9 | 60.2° | 45.1° |
O | RU1 | N3 | H10 | 59.8° | 168.9° |
N3 | RU1 | N | H1 | 0.4° | 135.0° |
N3 | RU1 | N | H2 | 119.6° | 101.1° |
N3 | RU1 | N1 | H5 | 121.5° | 42.3° |
N3 | RU1 | N1 | H6 | 118.5° | 166.2° |
N3 | RU1 | N2 | H7 | 0.4° | 14.1° |
N3 | RU1 | N2 | H8 | 120.3° | 109.8° |
RU1 | N3 | H9 | H10 | 120.0° | 123.9° |