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Information card for entry 7052108
Preview
| Coordinates | 7052108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | guanidinium hydrogen adipate |
|---|---|
| Chemical name | Guanidinium hydrogen pentanedicarboxylate |
| Formula | C6 H13 N3 O4 |
| Calculated formula | C6 H13 N3 O4 |
| SMILES | C(=O)(CCCC(=O)O)[O-].C(=[NH2+])(N)N |
| Title of publication | Two-dimensional hydrogen-bonded networks in guanidinium hydrogen dicarboxylates |
| Authors of publication | Veneta Videnova-Adrabinska; Elżbieta Obara; Tadeusz Lis |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2007 |
| Journal volume | 31 |
| Journal issue | 2 |
| Pages of publication | 287 |
| a | 5.284 ± 0.002 Å |
| b | 8.501 ± 0.003 Å |
| c | 10.466 ± 0.004 Å |
| α | 69.1 ± 0.03° |
| β | 77.91 ± 0.03° |
| γ | 89.42 ± 0.03° |
| Cell volume | 428.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0346 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7052108.cif |
| 180075 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/21. |
7052108.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7052108.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052108.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052108.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7052108.cif |
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