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Information card for entry 7001627
Preview
| Coordinates | 7001627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H3 F21 Ge2 N6 O3 S |
|---|---|
| Calculated formula | C16 H3 F21 Ge2 N6 O3 S |
| Title of publication | Neutral and cationic main group element cages of germanium(ii) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations |
| Authors of publication | Krummenacher, Ivo; Fernández, Ignacio; Rüegger, Heinz; Weigend, Florian; Breher, Frank |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 27 |
| Pages of publication | 5335 - 5347 |
| a | 19.664 ± 0.001 Å |
| b | 11.6115 ± 0.0006 Å |
| c | 15.4412 ± 0.0008 Å |
| α | 90° |
| β | 127.789 ± 0.001° |
| γ | 90° |
| Cell volume | 2786.2 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0269 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0681 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7001627.cif |
| 179714 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/16. |
7001627.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001627.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001627.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001627.cif |
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