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Information card for entry 7006336
Preview
| Coordinates | 7006336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H84 N6 Na6 |
|---|---|
| Calculated formula | C66 H84 N6 Na6 |
| SMILES | [Na]12[N]3(=C(c4ccccc4)C(C)(C)C)[Na]4[N]1(=C(c1ccccc1)C(C)(C)C)[Na]1[N]4(=C(c4ccccc4)C(C)(C)C)[Na]4[N]1(=C(c1ccccc1)C(C)(C)C)[Na]1[N]4(=C(c4ccccc4)C(C)(C)C)[Na]3[N]12=C(c1ccccc1)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 | 11.8309 ± 0.0005 Å |
| b | 12.2435 ± 0.0005 Å |
| c | 12.884 ± 0.0006 Å |
| α | 99.552 ± 0.002° |
| β | 106.08 ± 0.002° |
| γ | 108.896 ± 0.002° |
| Cell volume | 1628.15 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0582 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1187 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7006336.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. |
7006336.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006336.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006336.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006336.cif |
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Users of the data should acknowledge the original authors of the
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