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CIF Information Card
Information card for 7205837
7205836 << 7205837 >> 7205838Preview
|
Coordinates |
7205837.cif |
Structure parameters
| Common name | Bis_1H-1,2,4-TriazoleSuccinic_Acid |
| Formula | - C8 H12 N6 O4 - |
| Calculated formula | - C8 H12 N6 O4 - |
| Title of publication | Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals |
| Authors of publication | Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 3698 |
| a | 5.269 ± 0.0011 Å |
| b | 18.18 ± 0.004 Å |
| c | 6.554 ± 0.0013 Å |
| α | 90° |
| β | 111.89 ± 0.03° |
| γ | 90° |
| Cell volume | 582.5 ± 0.2 Å3 |
| Cell temperature | 12 ± 2 K |
| Ambient diffraction temperature | 12 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0708 |
| Residual factor for observed reflections | 0.0516 |
| Weighted residual factors for the observed reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1146 |
| Goodness-of-fit parameter for observed reflections | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |