ZIF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL20 | C16 | sing | 1.74Å | 1.73Å | |
| C19 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C09 | sing | 1.51Å | 1.52Å | |
| C18 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| N06 | C09 | doub | 1.32Å | 1.41Å | Aromatic |
| N06 | C01 | sing | 1.34Å | 1.48Å | Aromatic |
| C09 | C07 | sing | 1.39Å | 1.45Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C03 | sing | 1.48Å | 1.48Å | |
| C01 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
| C01 | N02 | sing | 1.37Å | 1.39Å | Aromatic |
| C03 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C04 | doub | 1.38Å | 1.44Å | Aromatic |
| N02 | C04 | sing | 1.37Å | 1.44Å | Aromatic |
| N02 | N05 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | N05 | doub | 1.31Å | 1.40Å | Aromatic |
| C04 | N10 | sing | 1.38Å | 1.44Å | |
| N10 | C15 | sing | 1.47Å | 1.47Å | |
| C15 | C17 | sing | 1.53Å | 1.50Å | |
| O12 | C17 | sing | 1.43Å | 1.42Å | |
| O12 | C22 | sing | 1.44Å | 1.44Å | |
| C17 | C23 | sing | 1.54Å | 1.49Å | |
| C23 | C24 | sing | 1.55Å | 1.45Å | |
| C22 | C24 | sing | 1.55Å | 1.48Å | |
| C07 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.08Å | 1.08Å | |
| N10 | H18 | sing | 0.97Å | 1.00Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL20 | C16 | C19 | 120.0° | 119.9° |
| CL20 | C16 | C18 | 119.8° | 119.8° |
| C16 | C19 | C14 | 119.5° | 120.1° |
| C19 | C16 | C18 | 120.2° | 120.3° |
| C16 | C19 | H7 | 120.2° | 119.9° |
| C19 | C14 | C11 | 119.6° | 119.9° |
| C14 | C19 | H7 | 120.2° | 120.0° |
| C19 | C14 | H19 | 120.2° | 120.1° |
| C16 | C18 | C13 | 120.5° | 120.1° |
| C16 | C18 | H6 | 119.7° | 120.0° |
| C14 | C11 | C13 | 121.2° | 119.8° |
| C14 | C11 | C03 | 121.6° | 120.1° |
| C11 | C14 | H19 | 120.2° | 120.0° |
| C21 | C09 | N06 | 117.8° | 119.9° |
| C21 | C09 | C07 | 123.4° | 119.8° |
| C09 | C21 | H8 | 109.5° | 109.5° |
| C09 | C21 | H9 | 109.5° | 109.5° |
| C09 | C21 | H10 | 109.4° | 109.5° |
| C18 | C13 | C11 | 118.9° | 119.9° |
| C18 | C13 | H2 | 120.6° | 120.0° |
| C13 | C18 | H6 | 119.8° | 120.0° |
| C09 | N06 | C01 | 121.0° | 121.2° |
| N06 | C09 | C07 | 118.8° | 120.3° |
| N06 | C01 | C03 | 132.4° | 132.4° |
| N06 | C01 | N02 | 120.2° | 120.8° |
| C09 | C07 | C04 | 119.3° | 119.2° |
| C09 | C07 | H1 | 120.4° | 120.4° |
| C13 | C11 | C03 | 117.2° | 120.1° |
| C11 | C13 | H2 | 120.5° | 120.1° |
| C11 | C03 | C01 | 127.0° | 126.4° |
| C11 | C03 | C08 | 125.0° | 126.4° |
| C03 | C01 | N02 | 107.4° | 106.8° |
| C01 | C03 | C08 | 108.0° | 107.2° |
| C01 | N02 | C04 | 119.2° | 119.7° |
| C01 | N02 | N05 | 109.3° | 108.0° |
| C03 | C08 | N05 | 108.5° | 108.9° |
| C03 | C08 | H17 | 125.8° | 125.6° |
| C07 | C04 | N02 | 121.6° | 118.8° |
| C07 | C04 | N10 | 124.7° | 120.6° |
| C04 | C07 | H1 | 120.4° | 120.4° |
| C04 | N02 | N05 | 131.5° | 132.3° |
| N02 | C04 | N10 | 113.7° | 120.6° |
| N02 | N05 | C08 | 106.8° | 109.2° |
| N05 | C08 | H17 | 125.8° | 125.6° |
| C04 | N10 | C15 | 114.2° | 120.0° |
| C04 | N10 | H18 | 108.3° | 120.0° |
| N10 | C15 | C17 | 106.3° | 109.4° |
| N10 | C15 | H3 | 110.3° | 109.4° |
| N10 | C15 | H4 | 110.3° | 109.5° |
| C15 | N10 | H18 | 108.2° | 120.0° |
| C15 | C17 | O12 | 111.3° | 109.8° |
| C15 | C17 | C23 | 114.7° | 109.8° |
| C17 | C15 | H3 | 110.3° | 109.5° |
| C17 | C15 | H4 | 110.3° | 109.5° |
| C15 | C17 | H5 | 108.5° | 109.8° |
| C17 | O12 | C22 | 106.5° | 110.0° |
| O12 | C17 | C23 | 103.8° | 107.6° |
| O12 | C17 | H5 | 109.7° | 109.9° |
| O12 | C22 | C24 | 107.0° | 105.1° |
| O12 | C22 | H11 | 110.1° | 110.3° |
| O12 | C22 | H12 | 110.1° | 110.3° |
| C17 | C23 | C24 | 103.1° | 102.3° |
| C23 | C17 | H5 | 108.7° | 109.9° |
| C17 | C23 | H13 | 111.1° | 110.9° |
| C17 | C23 | H14 | 111.1° | 110.9° |
| C23 | C24 | C22 | 104.7° | 100.9° |
| C24 | C23 | H13 | 111.0° | 110.8° |
| C24 | C23 | H14 | 111.0° | 110.8° |
| C23 | C24 | H15 | 110.6° | 111.1° |
| C23 | C24 | H16 | 110.7° | 111.1° |
| C24 | C22 | H11 | 110.1° | 110.4° |
| C24 | C22 | H12 | 110.1° | 110.3° |
| C22 | C24 | H15 | 110.6° | 111.1° |
| C22 | C24 | H16 | 110.6° | 111.1° |
| H3 | C15 | H4 | 109.4° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.4° |
| H8 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.4° |
| H11 | C22 | H12 | 109.5° | 110.4° |
| H13 | C23 | H14 | 109.5° | 111.0° |
| H15 | C24 | H16 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL20 | C16 | C19 | C18 | 178.8° | 179.5° |
| CL20 | C16 | C19 | C14 | 178.5° | 179.7° |
| CL20 | C16 | C18 | C13 | 178.7° | 180.0° |
| CL20 | C16 | C18 | H6 | 1.3° | 0.0° |
| CL20 | C16 | C19 | H7 | 1.5° | 0.6° |
| C16 | C19 | C14 | H7 | 180.0° | 179.2° |
| C16 | C19 | C14 | C11 | 0.1° | 0.6° |
| C19 | C16 | C18 | C13 | 0.1° | 0.6° |
| C19 | C16 | C18 | H6 | 179.9° | 179.4° |
| C16 | C19 | C14 | H19 | 179.9° | 180.0° |
| C14 | C19 | C16 | C18 | 0.4° | 0.8° |
| C19 | C14 | C11 | H19 | 180.0° | 179.4° |
| C19 | C14 | C11 | C13 | 0.9° | 0.0° |
| C19 | C14 | C11 | C03 | 179.6° | 179.7° |
| C16 | C18 | C13 | H6 | 180.0° | 180.0° |
| C16 | C18 | C13 | C11 | 0.6° | 0.0° |
| C16 | C18 | C13 | H2 | 179.3° | 179.9° |
| C18 | C16 | C19 | H7 | 179.6° | 180.0° |
| C14 | C11 | C13 | C18 | 1.1° | 0.2° |
| C14 | C11 | C13 | C03 | 178.7° | 179.8° |
| C14 | C11 | C03 | C01 | 3.3° | 49.7° |
| C14 | C11 | C03 | C08 | 175.4° | 130.3° |
| C14 | C11 | C13 | H2 | 178.8° | 179.6° |
| C11 | C14 | C19 | H7 | 179.9° | 179.7° |
| C21 | C09 | N06 | C07 | 179.6° | 180.0° |
| C21 | C09 | N06 | C01 | 179.8° | 179.9° |
| C21 | C09 | C07 | C04 | 179.9° | 179.6° |
| C21 | C09 | C07 | H1 | 0.1° | 0.3° |
| C09 | C21 | H8 | H9 | 120.0° | 120.0° |
| C09 | C21 | H8 | H10 | 120.0° | 120.1° |
| C09 | C21 | H9 | H10 | 120.0° | 120.0° |
| C18 | C13 | C11 | H2 | 180.0° | 179.8° |
| C18 | C13 | C11 | C03 | 179.9° | 180.0° |
| C09 | N06 | C01 | C03 | 179.5° | 180.0° |
| C09 | N06 | C01 | N02 | 0.8° | 0.4° |
| N06 | C09 | C07 | C04 | 0.3° | 0.4° |
| N06 | C09 | C07 | H1 | 179.7° | 179.6° |
| N06 | C09 | C21 | H8 | 0.0° | 0.0° |
| N06 | C09 | C21 | H9 | 120.0° | 120.0° |
| N06 | C09 | C21 | H10 | 120.0° | 120.0° |
| C01 | N06 | C09 | C07 | 0.6° | 0.1° |
| N06 | C01 | C03 | C11 | 0.4° | 0.4° |
| N06 | C01 | C03 | N02 | 179.8° | 179.6° |
| N06 | C01 | C03 | C08 | 179.2° | 179.7° |
| N06 | C01 | N02 | C04 | 0.6° | 0.3° |
| N06 | C01 | N02 | N05 | 179.4° | 179.7° |
| C09 | C07 | C04 | H1 | 180.0° | 180.0° |
| C09 | C07 | C04 | N02 | 0.2° | 0.5° |
| C09 | C07 | C04 | N10 | 179.9° | 180.0° |
| C07 | C09 | C21 | H8 | 179.6° | 180.0° |
| C07 | C09 | C21 | H9 | 59.6° | 60.1° |
| C07 | C09 | C21 | H10 | 60.4° | 59.9° |
| C13 | C11 | C03 | C01 | 175.5° | 130.0° |
| C13 | C11 | C03 | C08 | 5.9° | 50.0° |
| C11 | C13 | C18 | H6 | 179.4° | 180.0° |
| C13 | C11 | C14 | H19 | 179.1° | 179.5° |
| C11 | C03 | C01 | C08 | 178.8° | 180.0° |
| C11 | C03 | C01 | N02 | 179.5° | 180.0° |
| C11 | C03 | C08 | N05 | 179.4° | 180.0° |
| C03 | C11 | C13 | H2 | 0.1° | 0.1° |
| C11 | C03 | C08 | H17 | 0.6° | 0.0° |
| C03 | C11 | C14 | H19 | 0.4° | 0.3° |
| C03 | C01 | N02 | C04 | 179.6° | 180.0° |
| C03 | C01 | N02 | N05 | 0.5° | 0.1° |
| C01 | C03 | C08 | N05 | 0.5° | 0.0° |
| C01 | C03 | C08 | H17 | 179.5° | 180.0° |
| N02 | C01 | C03 | C08 | 0.6° | 0.0° |
| C01 | N02 | C04 | C07 | 0.3° | 0.1° |
| C01 | N02 | C04 | N05 | 180.0° | 179.9° |
| C01 | N02 | N05 | C08 | 0.1° | 0.1° |
| C01 | N02 | C04 | N10 | 179.9° | 179.6° |
| C03 | C08 | N05 | N02 | 0.2° | 0.1° |
| C03 | C08 | N05 | H17 | 180.0° | 180.0° |
| C07 | C04 | N02 | N10 | 179.7° | 179.5° |
| C07 | C04 | N02 | N05 | 179.6° | 179.8° |
| C07 | C04 | N10 | C15 | 5.0° | 0.0° |
| C07 | C04 | N10 | H18 | 115.7° | 180.0° |
| C04 | N02 | N05 | C08 | 179.9° | 180.0° |
| N02 | C04 | N10 | C15 | 175.2° | 179.5° |
| N02 | C04 | C07 | H1 | 179.8° | 179.5° |
| N02 | C04 | N10 | H18 | 64.1° | 0.5° |
| N05 | N02 | C04 | N10 | 0.1° | 0.3° |
| N02 | N05 | C08 | H17 | 179.8° | 180.0° |
| C04 | N10 | C15 | H18 | 120.7° | 180.0° |
| C04 | N10 | C15 | C17 | 179.4° | 180.0° |
| N10 | C04 | C07 | H1 | 0.1° | 0.0° |
| C04 | N10 | C15 | H3 | 59.8° | 60.0° |
| C04 | N10 | C15 | H4 | 61.1° | 60.0° |
| N10 | C15 | C17 | H3 | 119.5° | 119.9° |
| N10 | C15 | C17 | H4 | 119.5° | 120.0° |
| N10 | C15 | C17 | O12 | 49.2° | 61.5° |
| N10 | C15 | C17 | C23 | 166.6° | 179.6° |
| N10 | C15 | H3 | H4 | 121.5° | 120.0° |
| N10 | C15 | C17 | H5 | 71.6° | 59.5° |
| C15 | C17 | O12 | C23 | 123.9° | 119.5° |
| C15 | C17 | O12 | H5 | 120.1° | 120.9° |
| C15 | C17 | O12 | C22 | 156.8° | 117.8° |
| C15 | C17 | C23 | H5 | 121.7° | 120.9° |
| C15 | C17 | C23 | C24 | 160.8° | 140.9° |
| C17 | C15 | H3 | H4 | 121.4° | 120.0° |
| C15 | C17 | C23 | H13 | 80.3° | 101.0° |
| C15 | C17 | C23 | H14 | 41.8° | 22.7° |
| C17 | C15 | N10 | H18 | 59.9° | 0.0° |
| O12 | C17 | C23 | H5 | 116.7° | 119.6° |
| O12 | C17 | C23 | C24 | 39.2° | 21.4° |
| C17 | O12 | C22 | C24 | 14.4° | 24.4° |
| O12 | C17 | C15 | H3 | 168.7° | 58.5° |
| O12 | C17 | C15 | H4 | 70.3° | 178.5° |
| C17 | O12 | C22 | H11 | 134.0° | 94.5° |
| C17 | O12 | C22 | H12 | 105.3° | 143.3° |
| O12 | C17 | C23 | H13 | 158.1° | 139.5° |
| O12 | C17 | C23 | H14 | 79.8° | 96.8° |
| C22 | O12 | C17 | C23 | 32.9° | 1.7° |
| O12 | C22 | C24 | C23 | 10.4° | 36.5° |
| O12 | C22 | C24 | H11 | 119.6° | 118.9° |
| O12 | C22 | C24 | H12 | 119.6° | 118.9° |
| C22 | O12 | C17 | H5 | 83.1° | 121.3° |
| O12 | C22 | H11 | H12 | 121.1° | 122.1° |
| O12 | C22 | C24 | H15 | 108.8° | 154.3° |
| O12 | C22 | C24 | H16 | 129.7° | 81.5° |
| C17 | C23 | C24 | H13 | 119.0° | 118.2° |
| C17 | C23 | C24 | H14 | 119.0° | 118.2° |
| C17 | C23 | C24 | C22 | 29.8° | 34.2° |
| C23 | C17 | C15 | H3 | 73.9° | 59.6° |
| C23 | C17 | C15 | H4 | 47.1° | 60.4° |
| C17 | C23 | H13 | H14 | 123.0° | 123.7° |
| C17 | C23 | C24 | H15 | 89.4° | 152.0° |
| C17 | C23 | C24 | H16 | 149.1° | 83.7° |
| C23 | C24 | C22 | H15 | 119.2° | 117.9° |
| C23 | C24 | C22 | H16 | 119.3° | 117.9° |
| C24 | C23 | C17 | H5 | 77.5° | 98.2° |
| C23 | C24 | C22 | H11 | 109.2° | 82.4° |
| C23 | C24 | C22 | H12 | 130.1° | 155.3° |
| C24 | C23 | H13 | H14 | 123.0° | 123.5° |
| C23 | C24 | H15 | H16 | 122.2° | 124.3° |
| C24 | C22 | H11 | H12 | 121.1° | 122.2° |
| C22 | C24 | C23 | H13 | 148.8° | 152.4° |
| C22 | C24 | C23 | H14 | 89.2° | 84.0° |
| C22 | C24 | H15 | H16 | 122.2° | 124.2° |
| H2 | C13 | C18 | H6 | 0.7° | 0.1° |
| H3 | C15 | C17 | H5 | 48.0° | 179.4° |
| H3 | C15 | N10 | H18 | 179.4° | 120.0° |
| H4 | C15 | C17 | H5 | 168.9° | 60.6° |
| H4 | C15 | N10 | H18 | 59.6° | 120.0° |
| H5 | C17 | C23 | H13 | 41.4° | 19.9° |
| H5 | C17 | C23 | H14 | 163.5° | 143.6° |
| H7 | C19 | C14 | H19 | 0.1° | 0.9° |
| H8 | C21 | H9 | H10 | 120.0° | 120.0° |
| H11 | C22 | C24 | H15 | 131.6° | 35.4° |
| H11 | C22 | C24 | H16 | 10.1° | 159.7° |
| H12 | C22 | C24 | H15 | 10.8° | 86.8° |
| H12 | C22 | C24 | H16 | 110.7° | 37.4° |
| H13 | C23 | C24 | H15 | 29.5° | 89.8° |
| H13 | C23 | C24 | H16 | 92.0° | 34.4° |
| H14 | C23 | C24 | H15 | 151.6° | 33.8° |
| H14 | C23 | C24 | H16 | 30.1° | 158.0° |
