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Information card for entry 7006334
Preview
| Coordinates | 7006334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H81 N6 Na3 Si3 |
|---|---|
| Calculated formula | C36 H81 N6 Na3 Si3 |
| SMILES | C(C)(C)([N]1([Si](C)(C)C)[Na]([N](C(C)(C)C)([Na]([N](C(C)(C)C)([Na]1[N]#CC(C)(C)C)[Si](C)(C)C)[N]#CC(C)(C)C)[Si](C)(C)C)[N]#CC(C)(C)C)C |
| Title of publication | Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)). |
| Authors of publication | Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 7 |
| Pages of publication | 919 - 927 |
| a | 11.1936 ± 0.0002 Å |
| b | 11.7449 ± 0.0002 Å |
| c | 39.5782 ± 0.0005 Å |
| α | 90° |
| β | 92.796 ± 0.001° |
| γ | 90° |
| Cell volume | 5197.06 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1112 |
| Residual factor for significantly intense reflections | 0.0895 |
| Weighted residual factors for significantly intense reflections | 0.2381 |
| Weighted residual factors for all reflections included in the refinement | 0.2552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| 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. |
7006334.cif |
| 179767 | 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 7/00/63. |
7006334.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006334.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006334.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006334.cif |
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