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Information card for entry 4516261
Preview
| Coordinates | 4516261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MA-1-H2O |
|---|---|
| Formula | C3 H6 N6 |
| Calculated formula | C3 H6 N6 |
| SMILES | n1c(nc(nc1N)N)N |
| Title of publication | Solvent Dependent Structures of Melamine: Porous or Nonporous? |
| Authors of publication | Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 4 |
| Pages of publication | 1871 |
| a | 7.2789 ± 0.0003 Å |
| b | 7.4799 ± 0.0003 Å |
| c | 10.3316 ± 0.0004 Å |
| α | 90° |
| β | 108.495 ± 0.004° |
| γ | 90° |
| Cell volume | 533.46 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0869 |
| Residual factor for significantly intense reflections | 0.0856 |
| Weighted residual factors for significantly intense reflections | 0.1802 |
| Weighted residual factors for all reflections included in the refinement | 0.1818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.769 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231215 (current) | 2019-11-22 | cif/ Adding structures of 4516261 via cif-deposit CGI script. |
4516261.cif |
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Users of the data should acknowledge the original authors of the
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