Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241607
Preview
| Coordinates | 2241607.cif |
|---|---|
| Structure factors | 2241607.hkl |
| Original IUCr paper | HTML |
| Common name | Cytosinium hydrogen maleate |
|---|---|
| Chemical name | Cytosinium hydrogen maleate‒cytosine (1/1) |
| Formula | C12 H14 N6 O6 |
| Calculated formula | C12 H14 N6 O6 |
| Title of publication | Redetermination of cytosinium hydrogen maleate‒cytosine (1/1) from the original data |
| Authors of publication | Fábry, Jan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 509 - 511 |
| a | 27.3226 ± 0.0005 Å |
| b | 7.3618 ± 0.0002 Å |
| c | 14.6742 ± 0.0004 Å |
| α | 90° |
| β | 93.905 ± 0.001° |
| γ | 90° |
| Cell volume | 2944.77 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0654 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.85 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241607.cif 2241607.hkl |
| 178199 | 2016-03-15 | cif/ hkl/ Adding structures of 2241607 via cif-deposit CGI script. |
2241607.cif 2241607.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.