RU3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C1 | doub | 1.24Å | 1.22Å | |
| N1 | RU1 | sing | 2.11Å | 1.80Å | |
| N4 | RU | sing | 2.10Å | 1.80Å | |
| N5 | RU | sing | 2.10Å | 1.80Å | |
| C1 | O3 | sing | 1.25Å | 1.45Å | |
| O3 | RU | sing | 1.83Å | 1.80Å | |
| O1 | RU1 | sing | 1.86Å | 1.80Å | |
| O1 | C | sing | 1.28Å | 1.46Å | |
| RU | O | sing | 1.84Å | 1.82Å | |
| RU | N7 | sing | 2.10Å | 1.80Å | |
| RU | N6 | sing | 2.11Å | 1.80Å | |
| N | RU1 | sing | 2.10Å | 1.80Å | |
| RU1 | N2 | sing | 2.11Å | 1.80Å | |
| RU1 | O | sing | 1.84Å | 1.82Å | |
| RU1 | N3 | sing | 2.11Å | 1.80Å | |
| C | O2 | doub | 1.24Å | 1.22Å | |
| N | H1 | sing | 0.90Å | 1.00Å | |
| N | H2 | sing | 0.90Å | 1.00Å | |
| C | H3 | sing | 0.96Å | 1.08Å | |
| C1 | H4 | sing | 0.96Å | 1.08Å | |
| N1 | H5 | sing | 0.90Å | 1.00Å | |
| N1 | H6 | sing | 0.89Å | 1.00Å | |
| N2 | H7 | sing | 0.90Å | 1.00Å | |
| N2 | H8 | sing | 0.90Å | 1.00Å | |
| N3 | H9 | sing | 0.90Å | 1.00Å | |
| N3 | H10 | sing | 0.90Å | 1.00Å | |
| N4 | H11 | sing | 0.90Å | 1.00Å | |
| N4 | H12 | sing | 0.90Å | 1.00Å | |
| N5 | H13 | sing | 0.90Å | 1.00Å | |
| N5 | H14 | sing | 0.90Å | 1.00Å | |
| N6 | H15 | sing | 0.90Å | 1.00Å | |
| N6 | H16 | sing | 0.90Å | 1.00Å | |
| N7 | H17 | sing | 0.90Å | 1.00Å | |
| N7 | H18 | sing | 0.90Å | 1.00Å | |
| H19 | N | sing | 0.90Å | 1.00Å | |
| H20 | N1 | sing | 0.90Å | 1.00Å | |
| H21 | N2 | sing | 0.90Å | 1.00Å | |
| H22 | N3 | sing | 0.90Å | 1.00Å | |
| H23 | N4 | sing | 0.90Å | 1.00Å | |
| H24 | N5 | sing | 0.90Å | 1.00Å | |
| H25 | N6 | sing | 0.90Å | 1.00Å | |
| H26 | N7 | sing | 0.90Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C1 | O3 | 120.5° | 126.8° |
| O4 | C1 | H4 | 119.8° | 116.6° |
| N1 | RU1 | O1 | 89.8° | 106.9° |
| N1 | RU1 | N | 90.8° | 96.3° |
| N1 | RU1 | N2 | 89.5° | 81.6° |
| N1 | RU1 | O | 90.9° | 76.0° |
| N1 | RU1 | N3 | 179.3° | 172.2° |
| RU1 | N1 | H5 | 109.5° | 110.7° |
| RU1 | N1 | H6 | 109.5° | 115.5° |
| RU1 | N1 | H20 | 109.5° | 108.9° |
| N4 | RU | N5 | 89.5° | 87.7° |
| N4 | RU | O3 | 89.0° | 86.8° |
| N4 | RU | O | 93.9° | 91.1° |
| N4 | RU | N7 | 91.0° | 90.0° |
| N4 | RU | N6 | 178.2° | 178.0° |
| RU | N4 | H11 | 109.5° | 112.3° |
| RU | N4 | H12 | 109.5° | 109.6° |
| RU | N4 | H23 | 109.5° | 111.3° |
| N5 | RU | O3 | 90.2° | 90.6° |
| N5 | RU | O | 89.2° | 92.8° |
| N5 | RU | N7 | 179.2° | 175.9° |
| N5 | RU | N6 | 90.0° | 90.8° |
| RU | N5 | H13 | 109.5° | 111.4° |
| RU | N5 | H14 | 109.5° | 110.1° |
| RU | N5 | H24 | 109.5° | 112.2° |
| C1 | O3 | RU | 121.8° | 125.8° |
| O3 | C1 | H4 | 119.7° | 116.7° |
| O3 | RU | O | 177.0° | 176.0° |
| O3 | RU | N7 | 89.2° | 85.9° |
| O3 | RU | N6 | 89.2° | 94.5° |
| RU1 | O1 | C | 120.2° | 138.8° |
| O1 | RU1 | N | 87.9° | 109.6° |
| O1 | RU1 | N2 | 90.1° | 78.4° |
| O1 | RU1 | O | 178.1° | 52.9° |
| O1 | RU1 | N3 | 89.9° | 80.9° |
| O1 | C | O2 | 120.3° | 126.6° |
| O1 | C | H3 | 119.9° | 116.8° |
| O | RU | N7 | 91.4° | 90.7° |
| O | RU | N6 | 87.9° | 87.7° |
| RU | O | RU1 | 133.2° | 171.3° |
| N7 | RU | N6 | 89.5° | 91.6° |
| RU | N7 | H17 | 109.5° | 112.1° |
| RU | N7 | H18 | 109.5° | 109.1° |
| RU | N7 | H26 | 109.5° | 111.9° |
| RU | N6 | H15 | 109.5° | 111.1° |
| RU | N6 | H16 | 109.5° | 110.5° |
| RU | N6 | H25 | 109.4° | 112.4° |
| N | RU1 | N2 | 177.9° | 172.0° |
| N | RU1 | O | 93.9° | 71.6° |
| N | RU1 | N3 | 89.8° | 81.0° |
| RU1 | N | H1 | 109.5° | 111.8° |
| RU1 | N | H2 | 109.5° | 112.7° |
| RU1 | N | H19 | 109.5° | 108.7° |
| N2 | RU1 | O | 88.2° | 115.0° |
| N2 | RU1 | N3 | 89.9° | 100.1° |
| RU1 | N2 | H7 | 109.5° | 108.0° |
| RU1 | N2 | H8 | 109.5° | 114.0° |
| RU1 | N2 | H21 | 109.5° | 113.2° |
| O | RU1 | N3 | 89.4° | 109.7° |
| RU1 | N3 | H9 | 109.5° | 113.3° |
| RU1 | N3 | H10 | 109.5° | 107.4° |
| RU1 | N3 | H22 | 109.4° | 113.4° |
| O2 | C | H3 | 119.8° | 116.5° |
| H1 | N | H2 | 109.5° | 108.8° |
| H1 | N | H19 | 109.5° | 107.3° |
| H2 | N | H19 | 109.5° | 107.3° |
| H5 | N1 | H6 | 109.5° | 106.8° |
| H5 | N1 | H20 | 109.4° | 106.5° |
| H6 | N1 | H20 | 109.5° | 108.0° |
| H7 | N2 | H8 | 109.4° | 105.6° |
| H7 | N2 | H21 | 109.5° | 106.8° |
| H8 | N2 | H21 | 109.5° | 108.7° |
| H9 | N3 | H10 | 109.5° | 106.8° |
| H9 | N3 | H22 | 109.5° | 108.8° |
| H10 | N3 | H22 | 109.5° | 106.8° |
| H11 | N4 | H12 | 109.5° | 107.5° |
| H11 | N4 | H23 | 109.5° | 108.4° |
| H12 | N4 | H23 | 109.4° | 107.5° |
| H13 | N5 | H14 | 109.4° | 108.1° |
| H13 | N5 | H24 | 109.5° | 107.9° |
| H14 | N5 | H24 | 109.5° | 107.0° |
| H15 | N6 | H16 | 109.4° | 107.8° |
| H15 | N6 | H25 | 109.5° | 108.0° |
| H16 | N6 | H25 | 109.5° | 106.9° |
| H17 | N7 | H18 | 109.4° | 107.5° |
| H17 | N7 | H26 | 109.5° | 108.6° |
| H18 | N7 | H26 | 109.5° | 107.4° |
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° | 22.2° |
| N1 | RU1 | O1 | N | 90.8° | 103.3° |
| N1 | RU1 | O1 | N2 | 89.5° | 77.4° |
| N1 | RU1 | O1 | O | 111.8° | 56.9° |
| N1 | RU1 | O1 | N3 | 179.4° | 179.8° |
| N1 | RU1 | O1 | C | 168.0° | 131.1° |
| N1 | RU1 | O | RU | 67.2° | 16.2° |
| N1 | RU1 | N | N2 | 97.7° | 73.8° |
| N1 | RU1 | N | O | 91.0° | 73.0° |
| N1 | RU1 | N | N3 | 179.6° | 172.6° |
| N1 | RU1 | N2 | O | 90.9° | 70.2° |
| N1 | RU1 | N2 | N3 | 179.6° | 172.3° |
| N1 | RU1 | O | N3 | 179.4° | 174.5° |
| N1 | RU1 | N | H1 | 180.0° | 10.4° |
| N1 | RU1 | N | H2 | 60.0° | 133.4° |
| RU1 | N1 | H5 | H6 | 120.0° | 126.5° |
| RU1 | N1 | H5 | H20 | 120.0° | 118.2° |
| RU1 | N1 | H6 | H20 | 120.0° | 122.2° |
| N1 | RU1 | N2 | H7 | 180.0° | 60.3° |
| N1 | RU1 | N2 | H8 | 60.0° | 177.2° |
| N1 | RU1 | N3 | H9 | 180.0° | 102.6° |
| N1 | RU1 | N3 | H10 | 60.0° | 15.1° |
| N1 | RU1 | N | H19 | 60.0° | 107.9° |
| N1 | RU1 | N2 | H21 | 60.0° | 57.8° |
| N1 | RU1 | N3 | H22 | 60.0° | 132.9° |
| N4 | RU | N5 | O3 | 89.0° | 86.8° |
| N4 | RU | N5 | O | 93.9° | 91.0° |
| N4 | RU | N5 | N7 | 123.6° | 55.5° |
| N4 | RU | N5 | N6 | 178.3° | 178.7° |
| N4 | RU | O3 | C1 | 25.5° | 148.8° |
| N4 | RU | O3 | O | 167.2° | 58.8° |
| N4 | RU | O3 | N7 | 91.0° | 90.2° |
| N4 | RU | O3 | N6 | 179.5° | 178.5° |
| N4 | RU | O | N7 | 91.1° | 90.0° |
| N4 | RU | O | N6 | 179.5° | 178.4° |
| N4 | RU | N7 | N6 | 178.2° | 178.8° |
| N4 | RU | O | RU1 | 26.7° | 104.8° |
| RU | N4 | H11 | H12 | 120.0° | 120.6° |
| RU | N4 | H11 | H23 | 120.0° | 123.4° |
| RU | N4 | H12 | H23 | 120.0° | 121.1° |
| N4 | RU | N5 | H13 | 180.0° | 173.6° |
| N4 | RU | N5 | H14 | 60.0° | 53.7° |
| N4 | RU | N6 | H15 | 180.0° | 176.1° |
| N4 | RU | N6 | H16 | 60.0° | 56.5° |
| N4 | RU | N7 | H17 | 180.0° | 175.4° |
| N4 | RU | N7 | H18 | 60.0° | 56.4° |
| N4 | RU | N5 | H24 | 60.0° | 65.3° |
| N4 | RU | N6 | H25 | 60.0° | 62.7° |
| N4 | RU | N7 | H26 | 60.0° | 62.3° |
| N5 | RU | O3 | C1 | 115.0° | 61.2° |
| N5 | RU | O3 | O | 77.8° | 146.4° |
| N5 | RU | O3 | N7 | 179.6° | 177.9° |
| N5 | RU | O3 | N6 | 90.0° | 90.9° |
| N5 | RU | O | N7 | 179.5° | 177.7° |
| N5 | RU | O | N6 | 90.0° | 90.7° |
| N5 | RU | N7 | N6 | 54.6° | 125.7° |
| N5 | RU | O | RU1 | 116.1° | 167.5° |
| N5 | RU | N4 | H11 | 180.0° | 158.4° |
| N5 | RU | N4 | H12 | 60.0° | 82.2° |
| RU | N5 | H13 | H14 | 120.0° | 121.0° |
| RU | N5 | H13 | H24 | 120.0° | 123.6° |
| RU | N5 | H14 | H24 | 120.0° | 122.2° |
| N5 | RU | N6 | H15 | 106.6° | 144.6° |
| N5 | RU | N6 | H16 | 133.4° | 95.8° |
| N5 | RU | N7 | H17 | 56.4° | 119.9° |
| N5 | RU | N7 | H18 | 176.4° | 1.0° |
| N5 | RU | N4 | H23 | 60.0° | 36.6° |
| N5 | RU | N6 | H25 | 13.4° | 23.5° |
| N5 | RU | N7 | H26 | 63.6° | 117.8° |
| C1 | O3 | RU | O | 167.2° | 152.3° |
| C1 | O3 | RU | N7 | 65.4° | 120.9° |
| C1 | O3 | RU | N6 | 155.0° | 29.6° |
| O3 | RU | O | N7 | 101.7° | 31.3° |
| O3 | RU | O | N6 | 12.2° | 122.9° |
| O3 | RU | N7 | N6 | 89.2° | 94.4° |
| O3 | RU | O | RU1 | 166.1° | 46.1° |
| RU | O3 | C1 | H4 | 95.8° | 157.9° |
| O3 | RU | N4 | H11 | 89.8° | 110.9° |
| O3 | RU | N4 | H12 | 150.2° | 8.5° |
| O3 | RU | N5 | H13 | 91.0° | 99.6° |
| O3 | RU | N5 | H14 | 29.0° | 140.5° |
| O3 | RU | N6 | H15 | 163.2° | 54.0° |
| O3 | RU | N6 | H16 | 43.2° | 173.6° |
| O3 | RU | N7 | H17 | 91.0° | 88.6° |
| O3 | RU | N7 | H18 | 149.0° | 30.4° |
| O3 | RU | N4 | H23 | 30.2° | 127.3° |
| O3 | RU | N5 | H24 | 149.0° | 21.5° |
| O3 | RU | N6 | H25 | 76.8° | 67.2° |
| O3 | RU | N7 | H26 | 29.0° | 149.1° |
| O1 | RU1 | O | RU | 179.0° | 140.6° |
| O1 | RU1 | N | N2 | 8.0° | 175.7° |
| O1 | RU1 | N | O | 179.3° | 37.5° |
| O1 | RU1 | N | N3 | 89.9° | 76.9° |
| O1 | RU1 | N2 | O | 179.3° | 39.1° |
| O1 | RU1 | N2 | N3 | 89.9° | 78.4° |
| O1 | RU1 | O | N3 | 67.6° | 61.2° |
| RU1 | O1 | C | O2 | 55.0° | 179.5° |
| O1 | RU1 | N | H1 | 90.3° | 100.0° |
| O1 | RU1 | N | H2 | 29.7° | 22.9° |
| RU1 | O1 | C | H3 | 125.0° | 0.5° |
| O1 | RU1 | N1 | H5 | 180.0° | 103.6° |
| O1 | RU1 | N1 | H6 | 60.0° | 17.9° |
| O1 | RU1 | N2 | H7 | 90.2° | 169.5° |
| O1 | RU1 | N2 | H8 | 149.8° | 73.5° |
| O1 | RU1 | N3 | H9 | 121.5° | 75.7° |
| O1 | RU1 | N3 | H10 | 118.4° | 166.6° |
| O1 | RU1 | N | H19 | 149.7° | 141.7° |
| O1 | RU1 | N1 | H20 | 60.0° | 139.6° |
| O1 | RU1 | N2 | H21 | 29.8° | 51.5° |
| O1 | RU1 | N3 | H22 | 1.5° | 48.8° |
| C | O1 | RU1 | N | 101.2° | 125.6° |
| C | O1 | RU1 | N2 | 78.5° | 53.8° |
| C | O1 | RU1 | O | 56.2° | 172.0° |
| C | O1 | RU1 | N3 | 11.4° | 48.6° |
| O1 | C | O2 | H3 | 180.0° | 179.9° |
| O | RU | N7 | N6 | 87.9° | 87.7° |
| RU | O | RU1 | N | 23.7° | 85.4° |
| RU | O | RU1 | N2 | 156.6° | 89.8° |
| RU | O | RU1 | N3 | 113.4° | 158.2° |
| O | RU | N4 | H11 | 90.9° | 65.7° |
| O | RU | N4 | H12 | 29.2° | 174.9° |
| O | RU | N5 | H13 | 86.2° | 82.6° |
| O | RU | N5 | H14 | 153.9° | 37.3° |
| O | RU | N6 | H15 | 17.4° | 122.7° |
| O | RU | N6 | H16 | 137.4° | 3.1° |
| O | RU | N7 | H17 | 86.1° | 93.5° |
| O | RU | N7 | H18 | 33.9° | 147.5° |
| O | RU | N4 | H23 | 149.1° | 56.1° |
| O | RU | N5 | H24 | 33.9° | 156.3° |
| O | RU | N6 | H25 | 102.6° | 116.2° |
| O | RU | N7 | H26 | 153.9° | 28.8° |
| N7 | RU | O | RU1 | 64.4° | 14.8° |
| N7 | RU | N4 | H11 | 0.6° | 25.0° |
| N7 | RU | N4 | H12 | 120.7° | 94.4° |
| N7 | RU | N5 | H13 | 56.4° | 130.9° |
| N7 | RU | N5 | H14 | 63.6° | 109.2° |
| N7 | RU | N6 | H15 | 74.1° | 32.0° |
| N7 | RU | N6 | H16 | 46.0° | 87.5° |
| RU | N7 | H17 | H18 | 120.0° | 119.9° |
| RU | N7 | H17 | H26 | 120.0° | 124.2° |
| RU | N7 | H18 | H26 | 120.0° | 121.5° |
| N7 | RU | N4 | H23 | 119.4° | 146.8° |
| N7 | RU | N5 | H24 | 176.4° | 9.8° |
| N7 | RU | N6 | H25 | 166.0° | 153.2° |
| N6 | RU | O | RU1 | 153.9° | 76.8° |
| N6 | RU | N4 | H11 | 106.6° | 119.2° |
| N6 | RU | N4 | H12 | 133.4° | 121.5° |
| N6 | RU | N5 | H13 | 1.7° | 5.2° |
| N6 | RU | N5 | H14 | 118.3° | 125.0° |
| RU | N6 | H15 | H16 | 120.0° | 121.2° |
| RU | N6 | H15 | H25 | 120.0° | 123.7° |
| RU | N6 | H16 | H25 | 120.0° | 122.5° |
| N6 | RU | N7 | H17 | 1.8° | 5.8° |
| N6 | RU | N7 | H18 | 121.7° | 124.7° |
| N6 | RU | N4 | H23 | 13.5° | 2.6° |
| N6 | RU | N5 | H24 | 121.7° | 116.0° |
| N6 | RU | N7 | H26 | 118.3° | 116.5° |
| N | RU1 | N2 | O | 171.3° | 145.0° |
| N | RU1 | N2 | N3 | 81.9° | 97.4° |
| N | RU1 | O | N3 | 89.7° | 72.9° |
| RU1 | N | H1 | H2 | 120.0° | 125.1° |
| RU1 | N | H1 | H19 | 120.0° | 119.1° |
| RU1 | N | H2 | H19 | 120.0° | 119.6° |
| N | RU1 | N1 | H5 | 92.1° | 143.7° |
| N | RU1 | N1 | H6 | 27.9° | 94.8° |
| N | RU1 | N2 | H7 | 82.3° | 14.6° |
| N | RU1 | N2 | H8 | 157.8° | 102.4° |
| N | RU1 | N3 | H9 | 33.7° | 172.6° |
| N | RU1 | N3 | H10 | 153.7° | 55.0° |
| N | RU1 | N1 | H20 | 147.9° | 26.9° |
| N | RU1 | N2 | H21 | 37.7° | 132.6° |
| N | RU1 | N3 | H22 | 86.3° | 62.8° |
| N2 | RU1 | O | N3 | 90.0° | 112.0° |
| N2 | RU1 | N | H1 | 82.3° | 84.3° |
| N2 | RU1 | N | H2 | 37.7° | 152.8° |
| N2 | RU1 | N1 | H5 | 89.9° | 28.5° |
| N2 | RU1 | N1 | H6 | 150.1° | 93.0° |
| RU1 | N2 | H7 | H8 | 120.0° | 122.3° |
| RU1 | N2 | H7 | H21 | 120.0° | 122.1° |
| RU1 | N2 | H8 | H21 | 120.0° | 127.4° |
| N2 | RU1 | N3 | H9 | 148.4° | 0.7° |
| N2 | RU1 | N3 | H10 | 28.4° | 117.0° |
| N2 | RU1 | N | H19 | 157.7° | 34.0° |
| N2 | RU1 | N1 | H20 | 30.1° | 145.3° |
| N2 | RU1 | N3 | H22 | 91.6° | 125.2° |
| O | RU1 | N | H1 | 89.0° | 62.6° |
| O | RU1 | N | H2 | 151.0° | 60.4° |
| O | RU1 | N1 | H5 | 1.7° | 147.1° |
| O | RU1 | N1 | H6 | 121.7° | 25.6° |
| O | RU1 | N2 | H7 | 89.1° | 130.4° |
| O | RU1 | N2 | H8 | 30.9° | 112.6° |
| O | RU1 | N3 | H9 | 60.2° | 120.7° |
| O | RU1 | N3 | H10 | 59.8° | 121.6° |
| O | RU1 | N | H19 | 31.0° | 179.1° |
| O | RU1 | N1 | H20 | 118.2° | 96.1° |
| O | RU1 | N2 | H21 | 151.0° | 12.4° |
| O | RU1 | N3 | H22 | 179.8° | 3.8° |
| N3 | RU1 | N | H1 | 0.4° | 177.0° |
| N3 | RU1 | N | H2 | 119.6° | 54.0° |
| N3 | RU1 | N1 | H5 | 121.5° | 74.6° |
| N3 | RU1 | N1 | H6 | 118.5° | 163.9° |
| N3 | RU1 | N2 | H7 | 0.4° | 112.0° |
| N3 | RU1 | N2 | H8 | 120.3° | 4.9° |
| RU1 | N3 | H9 | H10 | 120.0° | 118.0° |
| RU1 | N3 | H9 | H22 | 120.0° | 127.0° |
| RU1 | N3 | H10 | H22 | 120.0° | 121.9° |
| N3 | RU1 | N | H19 | 120.4° | 64.7° |
| N3 | RU1 | N1 | H20 | 1.6° | 42.2° |
| N3 | RU1 | N2 | H21 | 119.6° | 129.9° |
| H1 | N | H2 | H19 | 120.0° | 115.8° |
| H5 | N1 | H6 | H20 | 120.0° | 114.3° |
| H7 | N2 | H8 | H21 | 120.0° | 114.3° |
| H9 | N3 | H10 | H22 | 120.0° | 116.2° |
| H11 | N4 | H12 | H23 | 120.0° | 116.6° |
| H13 | N5 | H14 | H24 | 120.0° | 116.0° |
| H15 | N6 | H16 | H25 | 120.0° | 115.9° |
| H17 | N7 | H18 | H26 | 120.0° | 116.7° |
