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Information card for entry 4001501
Preview
| Coordinates | 4001501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Guanidinium tricyanomelaminate hydrate |
|---|---|
| Chemical name | Triguanidinium tricyanomelaminate dihydrate |
| Formula | C9 H22 N18 O2 |
| Calculated formula | C9 H22 N18 O2 |
| SMILES | [N-]1C([N-]C([N-]C1=NC#N)=NC#N)=NC#N.O.[NH2+]=C(N)N.[NH2+]=C(N)N.O.[NH2+]=C(N)N |
| Title of publication | From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials |
| Authors of publication | Lotsch, Bettina V.; Schnick, Wolfgang |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 7 |
| Pages of publication | 1891 |
| a | 7.6212 ± 0.0015 Å |
| b | 13.336 ± 0.003 Å |
| c | 18.566 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1887 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4001501.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4001501.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001501.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001501.cif |
| 47578 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4001500, 4001501, 4001502 via cif-deposit CGI script. |
4001501.cif |
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