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Information card for entry 4071611
Preview
| Coordinates | 4071611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H79 Ge N2 P Si2 |
|---|---|
| Calculated formula | C45 H79 Ge N2 P Si2 |
| SMILES | [Ge]1(P([Si](C)(C)C)[Si](C)(C)C)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.C1CCCC1.C1CCCC1 |
| Title of publication | Facile Access to a Stable Divalent Germanium Compound with a Terminal PH2Group and Related PR2Derivatives |
| Authors of publication | Yao, Shenglai; Brym, Markus; Merz, Klaus; Driess, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3601 |
| a | 11.5933 ± 0.0004 Å |
| b | 22.8578 ± 0.0009 Å |
| c | 18.3221 ± 0.0007 Å |
| α | 90° |
| β | 93.233 ± 0.001° |
| γ | 90° |
| Cell volume | 4847.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0647 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.113 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4071611.cif |
| 178605 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/16. |
4071611.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071611.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071611.cif |
| 43946 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071609, 4071610, 4071611, 4071612, 4071613 via cif-deposit CGI script. |
4071611.cif |
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