XN6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | N21 | sing | 1.47Å | 1.45Å | |
| C20 | C19 | sing | 1.51Å | 1.56Å | |
| N21 | C22 | sing | 1.37Å | 1.43Å | |
| C22 | N24 | sing | 1.37Å | 1.42Å | |
| C22 | N23 | doub | 1.30Å | 1.27Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| F26 | C25 | sing | 1.35Å | 1.36Å | |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C27 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.49Å | |
| O13 | C12 | doub | 1.22Å | 1.28Å | |
| C12 | O14 | sing | 1.35Å | 1.25Å | |
| C12 | C11 | sing | 1.47Å | 1.49Å | |
| C15 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C08 | sing | 1.47Å | 1.41Å | Aromatic |
| C11 | N10 | sing | 1.38Å | 1.34Å | Aromatic |
| C08 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| C08 | C09 | sing | 1.41Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.37Å | 1.39Å | Aromatic |
| N10 | C09 | sing | 1.37Å | 1.36Å | Aromatic |
| C09 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| O14 | H2 | sing | 0.97Å | 0.95Å | |
| N24 | H242 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | C20 | C19 | 107.4° | 109.5° |
| C20 | N21 | C22 | 122.4° | 120.0° |
| N21 | C20 | H201 | 110.0° | 109.5° |
| N21 | C20 | H202 | 110.0° | 109.4° |
| C20 | N21 | H211 | 118.8° | 120.0° |
| C20 | C19 | C18 | 121.0° | 119.9° |
| C20 | C19 | C25 | 121.8° | 119.9° |
| C19 | C20 | H201 | 110.0° | 109.5° |
| C19 | C20 | H202 | 110.0° | 109.5° |
| N21 | C22 | N24 | 117.0° | 120.0° |
| N21 | C22 | N23 | 120.6° | 120.0° |
| C22 | N21 | H211 | 118.8° | 120.0° |
| N24 | C22 | N23 | 122.4° | 119.9° |
| C22 | N24 | H241 | 120.0° | 120.1° |
| C22 | N24 | H242 | 120.0° | 120.0° |
| C22 | N23 | H231 | 112.0° | 120.1° |
| C18 | C19 | C25 | 117.2° | 120.3° |
| C19 | C18 | C17 | 121.5° | 120.2° |
| C19 | C18 | H181 | 119.2° | 119.9° |
| C19 | C25 | F26 | 119.2° | 120.0° |
| C19 | C25 | C27 | 122.1° | 120.1° |
| F26 | C25 | C27 | 118.6° | 119.9° |
| C18 | C17 | C16 | 120.5° | 119.9° |
| C17 | C18 | H181 | 119.2° | 119.9° |
| C18 | C17 | H171 | 119.7° | 120.1° |
| C25 | C27 | C16 | 119.9° | 119.8° |
| C25 | C27 | H271 | 120.0° | 120.1° |
| C17 | C16 | C27 | 118.7° | 119.7° |
| C17 | C16 | C15 | 122.1° | 120.1° |
| C16 | C17 | H171 | 119.7° | 120.0° |
| C27 | C16 | C15 | 119.2° | 120.2° |
| C16 | C27 | H271 | 120.1° | 120.1° |
| C16 | C15 | C11 | 127.3° | 126.7° |
| C16 | C15 | C08 | 127.5° | 126.8° |
| O13 | C12 | O14 | 122.2° | 120.0° |
| O13 | C12 | C11 | 117.3° | 120.0° |
| O14 | C12 | C11 | 120.1° | 120.0° |
| C12 | O14 | H2 | 109.5° | 114.0° |
| C12 | C11 | C15 | 128.8° | 125.6° |
| C12 | C11 | N10 | 120.6° | 125.5° |
| C11 | C15 | C08 | 105.0° | 106.5° |
| C15 | C11 | N10 | 110.4° | 109.0° |
| C15 | C08 | C07 | 133.5° | 133.6° |
| C15 | C08 | C09 | 108.0° | 106.5° |
| C11 | N10 | C09 | 110.1° | 110.1° |
| C11 | N10 | H101 | 125.0° | 124.9° |
| C07 | C08 | C09 | 118.5° | 119.9° |
| C08 | C07 | C06 | 119.3° | 119.8° |
| C08 | C07 | H071 | 120.4° | 120.1° |
| C08 | C09 | N10 | 106.6° | 108.0° |
| C08 | C09 | C04 | 122.6° | 119.2° |
| C07 | C06 | C05 | 121.1° | 120.5° |
| C07 | C06 | H061 | 119.4° | 119.8° |
| C06 | C07 | H071 | 120.4° | 120.1° |
| N10 | C09 | C04 | 130.7° | 132.8° |
| C09 | N10 | H101 | 125.0° | 124.9° |
| C09 | C04 | C05 | 117.3° | 119.8° |
| C09 | C04 | C02 | 120.7° | 120.1° |
| C06 | C05 | C04 | 121.0° | 120.7° |
| C06 | C05 | H051 | 119.5° | 119.6° |
| C05 | C06 | H061 | 119.4° | 119.8° |
| C05 | C04 | C02 | 122.0° | 120.1° |
| C04 | C05 | H051 | 119.5° | 119.7° |
| C04 | C02 | C01 | 110.2° | 109.5° |
| C04 | C02 | C03 | 112.1° | 109.5° |
| C04 | C02 | H021 | 106.6° | 109.5° |
| C01 | C02 | C03 | 114.1° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H021 | 106.7° | 109.4° |
| C03 | C02 | H021 | 106.7° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H032 | C03 | H033 | 109.4° | 109.5° |
| H031 | C03 | H033 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H241 | N24 | H242 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C20 | C19 | H201 | 119.7° | 120.0° |
| N21 | C20 | C19 | H202 | 119.7° | 120.0° |
| C20 | N21 | C22 | H211 | 180.0° | 179.9° |
| C20 | N21 | C22 | N24 | 7.9° | 0.0° |
| C20 | N21 | C22 | N23 | 172.7° | 180.0° |
| N21 | C20 | C19 | C18 | 124.4° | 105.0° |
| N21 | C20 | C19 | C25 | 53.7° | 74.7° |
| N21 | C20 | H201 | H202 | 121.0° | 119.9° |
| C19 | C20 | N21 | C22 | 77.4° | 180.0° |
| C20 | C19 | C18 | C25 | 178.1° | 179.7° |
| C20 | C19 | C25 | F26 | 3.3° | 0.0° |
| C20 | C19 | C18 | C17 | 179.9° | 180.0° |
| C20 | C19 | C25 | C27 | 179.1° | 180.0° |
| C20 | C19 | C18 | H181 | 0.1° | 0.1° |
| C19 | C20 | H201 | H202 | 120.9° | 120.0° |
| C19 | C20 | N21 | H211 | 102.6° | 0.0° |
| N21 | C22 | N24 | N23 | 179.4° | 180.0° |
| C22 | N21 | C20 | H201 | 162.9° | 60.0° |
| C22 | N21 | C20 | H202 | 42.3° | 60.0° |
| N21 | C22 | N23 | H231 | 179.4° | 180.0° |
| N21 | C22 | N24 | H241 | 179.4° | 180.0° |
| N21 | C22 | N24 | H242 | 0.6° | 0.0° |
| N24 | C22 | N21 | H211 | 172.0° | 179.9° |
| N24 | C22 | N23 | H231 | 0.0° | 0.0° |
| C22 | N24 | H241 | H242 | 180.0° | 179.9° |
| N23 | C22 | N21 | H211 | 7.4° | 0.1° |
| N23 | C22 | N24 | H241 | 0.0° | 0.0° |
| N23 | C22 | N24 | H242 | 180.0° | 180.0° |
| C18 | C19 | C25 | F26 | 178.6° | 179.7° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C18 | C19 | C25 | C27 | 1.0° | 0.3° |
| C19 | C18 | C17 | C16 | 1.3° | 0.0° |
| C19 | C18 | C17 | H171 | 178.7° | 180.0° |
| C18 | C19 | C20 | H201 | 115.9° | 135.0° |
| C18 | C19 | C20 | H202 | 4.7° | 15.0° |
| C19 | C25 | F26 | C27 | 177.7° | 180.0° |
| C25 | C19 | C18 | C17 | 1.8° | 0.3° |
| C19 | C25 | C27 | C16 | 0.3° | 0.0° |
| C25 | C19 | C18 | H181 | 178.2° | 179.7° |
| C25 | C19 | C20 | H201 | 66.0° | 45.3° |
| C25 | C19 | C20 | H202 | 173.4° | 165.3° |
| C19 | C25 | C27 | H271 | 179.7° | 180.0° |
| F26 | C25 | C27 | C16 | 177.3° | 180.0° |
| F26 | C25 | C27 | H271 | 2.7° | 0.0° |
| C18 | C17 | C16 | H171 | 180.0° | 179.9° |
| C18 | C17 | C16 | C27 | 0.1° | 0.3° |
| C18 | C17 | C16 | C15 | 177.6° | 180.0° |
| C25 | C27 | C16 | C17 | 0.8° | 0.3° |
| C25 | C27 | C16 | H271 | 180.0° | 180.0° |
| C25 | C27 | C16 | C15 | 178.5° | 180.0° |
| C17 | C16 | C27 | C15 | 177.6° | 179.7° |
| C17 | C16 | C15 | C11 | 142.6° | 65.0° |
| C17 | C16 | C15 | C08 | 42.5° | 114.7° |
| C16 | C17 | C18 | H181 | 178.7° | 180.0° |
| C17 | C16 | C27 | H271 | 179.2° | 179.7° |
| C27 | C16 | C15 | C11 | 39.8° | 115.3° |
| C27 | C16 | C15 | C08 | 135.0° | 65.0° |
| C27 | C16 | C17 | H171 | 180.0° | 179.7° |
| C16 | C15 | C11 | C12 | 10.2° | 0.1° |
| C16 | C15 | C11 | C08 | 175.8° | 179.8° |
| C16 | C15 | C11 | N10 | 176.0° | 180.0° |
| C16 | C15 | C08 | C07 | 4.1° | 0.3° |
| C16 | C15 | C08 | C09 | 175.9° | 179.8° |
| C15 | C16 | C17 | H171 | 2.4° | 0.0° |
| C15 | C16 | C27 | H271 | 1.5° | 0.0° |
| O13 | C12 | O14 | C11 | 172.3° | 179.9° |
| O13 | C12 | C11 | C15 | 36.5° | 0.1° |
| O13 | C12 | C11 | N10 | 136.8° | 180.0° |
| O13 | C12 | O14 | H2 | 0.0° | 0.1° |
| O14 | C12 | C11 | C15 | 150.8° | 180.0° |
| O14 | C12 | C11 | N10 | 35.8° | 0.1° |
| C12 | C11 | C15 | N10 | 173.9° | 179.9° |
| C12 | C11 | C15 | C08 | 174.0° | 179.7° |
| C12 | C11 | N10 | C09 | 174.7° | 180.0° |
| C12 | C11 | N10 | H101 | 5.4° | 0.3° |
| C11 | C12 | O14 | H2 | 172.3° | 180.0° |
| C11 | C15 | C08 | C07 | 179.9° | 179.9° |
| C11 | C15 | C08 | C09 | 0.1° | 0.4° |
| C15 | C11 | N10 | C09 | 0.2° | 0.0° |
| C15 | C11 | N10 | H101 | 179.8° | 179.8° |
| C08 | C15 | C11 | N10 | 0.2° | 0.2° |
| C15 | C08 | C07 | C09 | 180.0° | 179.4° |
| C15 | C08 | C07 | C06 | 178.6° | 179.4° |
| C15 | C08 | C09 | N10 | 0.0° | 0.4° |
| C15 | C08 | C09 | C04 | 177.7° | 179.6° |
| C15 | C08 | C07 | H071 | 1.4° | 0.6° |
| C11 | N10 | C09 | C08 | 0.1° | 0.3° |
| C11 | N10 | C09 | H101 | 180.0° | 179.8° |
| C11 | N10 | C09 | C04 | 177.6° | 179.7° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C07 | C08 | C09 | N10 | 180.0° | 180.0° |
| C07 | C08 | C09 | C04 | 2.3° | 0.0° |
| C08 | C07 | C06 | C05 | 0.2° | 0.1° |
| C08 | C07 | C06 | H061 | 179.7° | 180.0° |
| C09 | C08 | C07 | C06 | 1.4° | 0.0° |
| C08 | C09 | N10 | C04 | 177.5° | 180.0° |
| C08 | C09 | C04 | C05 | 1.8° | 0.0° |
| C08 | C09 | C04 | C02 | 179.4° | 180.0° |
| C08 | C09 | N10 | H101 | 179.9° | 180.0° |
| C09 | C08 | C07 | H071 | 178.6° | 180.0° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.2° | 0.1° |
| C07 | C06 | C05 | H051 | 179.8° | 179.9° |
| N10 | C09 | C04 | C05 | 178.9° | 180.0° |
| N10 | C09 | C04 | C02 | 2.3° | 0.0° |
| C09 | C04 | C05 | C06 | 0.6° | 0.1° |
| C09 | C04 | C05 | C02 | 178.7° | 179.9° |
| C09 | C04 | C02 | C01 | 97.2° | 120.0° |
| C09 | C04 | C02 | C03 | 134.7° | 120.0° |
| C04 | C09 | N10 | H101 | 2.4° | 0.0° |
| C09 | C04 | C02 | H021 | 18.3° | 0.1° |
| C09 | C04 | C05 | H051 | 179.4° | 180.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C02 | 179.3° | 180.0° |
| C05 | C06 | C07 | H071 | 179.8° | 179.9° |
| C05 | C04 | C02 | C01 | 84.1° | 60.1° |
| C05 | C04 | C02 | C03 | 44.0° | 59.9° |
| C05 | C04 | C02 | H021 | 160.4° | 180.0° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| C04 | C02 | C01 | C03 | 127.1° | 120.1° |
| C04 | C02 | C01 | H021 | 115.3° | 120.0° |
| C04 | C02 | C03 | H021 | 116.3° | 120.0° |
| C04 | C02 | C01 | H012 | 180.0° | 179.9° |
| C04 | C02 | C01 | H013 | 60.0° | 60.0° |
| C04 | C02 | C01 | H011 | 60.0° | 60.0° |
| C04 | C02 | C03 | H032 | 180.0° | 60.0° |
| C04 | C02 | C03 | H031 | 60.0° | 180.0° |
| C04 | C02 | C03 | H033 | 60.0° | 60.0° |
| C02 | C04 | C05 | H051 | 0.7° | 0.0° |
| C01 | C02 | C03 | H021 | 117.6° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H032 | 53.9° | 180.0° |
| C01 | C02 | C03 | H031 | 66.1° | 60.0° |
| C01 | C02 | C03 | H033 | 173.9° | 60.0° |
| C03 | C02 | C01 | H012 | 53.0° | 60.0° |
| C03 | C02 | C01 | H013 | 172.9° | 180.0° |
| C03 | C02 | C01 | H011 | 67.0° | 60.0° |
| C02 | C03 | H032 | H031 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 119.9° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| H181 | C18 | C17 | H171 | 1.3° | 0.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 64.7° | 60.0° |
| H013 | C01 | C02 | H021 | 55.3° | 60.0° |
| H011 | C01 | C02 | H021 | 175.3° | 180.0° |
| H021 | C02 | C03 | H032 | 63.7° | 60.1° |
| H021 | C02 | C03 | H031 | 176.3° | 60.0° |
| H021 | C02 | C03 | H033 | 56.3° | 180.0° |
| H032 | C03 | H031 | H033 | 120.0° | 120.0° |
| H051 | C05 | C06 | H061 | 0.2° | 0.0° |
| H061 | C06 | C07 | H071 | 0.3° | 0.0° |
| H201 | C20 | N21 | H211 | 17.1° | 120.1° |
| H202 | C20 | N21 | H211 | 137.7° | 120.0° |
