Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4306748
Preview
| Coordinates | 4306748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Strontium germanium nitride |
|---|---|
| Chemical name | Heptastrontium monogermanium hexanitride |
| Formula | Ge N6 Sr7 |
| Calculated formula | Ge N6 Sr7 |
| SMILES | [N-2][Ge]([N-2])([N-2])[N-2].[Sr+2].[N-3].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[N-3].[Sr+2].[Sr+2] |
| Title of publication | Nitridogermanate Nitrides Sr7[GeN4]N2 and Ca7[GeN4]N2: Synthesis Employing Sodium Melts, Crystal Structure, and Density-Functional Theory Calculations |
| Authors of publication | Sebastian C. Junggeburth; Oliver Oeckler; Dirk Johrendt; Wolfgang Schnick |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 12018 - 12023 |
| a | 11.526 ± 0.002 Å |
| b | 6.5866 ± 0.0013 Å |
| c | 13.836 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1050.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0505 |
| Weighted residual factors for all reflections included in the refinement | 0.0543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179105 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/67. |
4306748.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306748.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306748.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306748.cif |
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.