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Information card for entry 7705898
Preview
| Coordinates | 7705898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H8 N4 |
|---|---|
| Calculated formula | C7 H8 N4 |
| SMILES | [nH]1ncc(c1)Cc1c[nH]nc1 |
| Title of publication | Utilization of counter anions for charge transportation in the electrical device fabrication of Zn(II) metal-organic frameworks. |
| Authors of publication | Das, Krishna Sundar; Pal, Baishakhi; Saha, Sayan; Akhtar, Sohel; De, Avik; Ray, Partha Pratim; Mondal, Raju |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 46 |
| Pages of publication | 17005 - 17016 |
| a | 5.3811 ± 0.0002 Å |
| b | 16.1944 ± 0.0006 Å |
| c | 8.2691 ± 0.0004 Å |
| α | 90° |
| β | 98.5 ± 0.002° |
| γ | 90° |
| Cell volume | 712.68 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0502 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1237 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7705898.cif |
| 259702 | 2020-12-09 | cif/ Adding structures of 7705898, 7705899, 7705900 via cif-deposit CGI script. |
7705898.cif |
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Users of the data should acknowledge the original authors of the
structural data.