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Information card for entry 4085477
Preview
| Coordinates | 4085477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H58 Ge2 N4 Na2 O4 |
|---|---|
| Calculated formula | C36 H58 Ge2 N4 Na2 O4 |
| SMILES | [Ge]1[N]2(c3ccccc3N1C(C)(C)C)[Na]([O]1CCCC1)([O]1CCCC1)[N]1([Ge]N(c3c1cccc3)C(C)(C)C)[Na]2([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Protic N-Heterocyclic Germylenes and Stannylenes: Synthesis and Reactivity |
| Authors of publication | Krupski, Sergei; Schulte to Brinke, Christian; Koppetz, Hannah; Hepp, Alexander; Hahn, F. Ekkehardt |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2624 |
| a | 8.6146 ± 0.0003 Å |
| b | 12.5729 ± 0.0004 Å |
| c | 18.9466 ± 0.0005 Å |
| α | 90° |
| β | 93.006 ± 0.002° |
| γ | 90° |
| Cell volume | 2049.29 ± 0.11 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1173 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4085477.cif |
| 178743 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/54. |
4085477.cif |
| 154755 | 2015-09-06 | cif/ Updating files of 4085475, 4085476, 4085477 Original log message: Adding full bibliography for 4085475--4085477.cif. |
4085477.cif |
| 131608 | 2015-02-10 | cif/ Adding structures of 4085475, 4085476, 4085477 via cif-deposit CGI script. |
4085477.cif |
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