Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4342069
Preview
| Coordinates | 4342069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H86 N12 Sr |
|---|---|
| Calculated formula | C66 H86 N12 Sr |
| SMILES | C1(=n2c(c(c(C)n23)C)C)n2c(c(c(C)[n]2[Sr]324([n]3c(c(c(C)n13)C)C)C)C)n1c(C)c(C)c(C)n1=C(n1c(c(c(C)[n]12)C)C)n1c(c(c(C)[n]14)C)C.c1ccccc1C.c1ccccc1C.c1ccccc1C.c1ccccc1C |
| Title of publication | Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation. |
| Authors of publication | Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 2 |
| Pages of publication | 635 - 645 |
| a | 10.8594 ± 0.0003 Å |
| b | 10.8946 ± 0.0003 Å |
| c | 14.2364 ± 0.0003 Å |
| α | 84.439 ± 0.001° |
| β | 70.704 ± 0.001° |
| γ | 77.148 ± 0.001° |
| Cell volume | 1549.35 ± 0.07 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179523 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20. |
4342069.cif |
| 130507 | 2015-02-04 | cif/ Updating files of 4342066, 4342067, 4342068, 4342069, 4342070, 4342071, 4342072, 4342073, 4342074, 4342075 Original log message: Adding full bibliography for 4342066--4342075.cif. |
4342069.cif |
| 129787 | 2015-01-17 | cif/ Adding structures of 4342066, 4342067, 4342068, 4342069, 4342070, 4342071, 4342072, 4342073, 4342074, 4342075 via cif-deposit CGI script. |
4342069.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.