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Information card for entry 7035422
Preview
| Coordinates | 7035422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Spiro[1,3,2,4]diazaphosphasiletidine_core |
|---|---|
| Chemical name | Spiro[1,3,2,4]diazaphosphasiletidine_core |
| Formula | C18 H41 Cl5 F Ga N4 P6 Si5 |
| Calculated formula | C18 H41 Cl5 F Ga N4 P6 Si5 |
| SMILES | C[Si](C)(C)N1[P+]2(N([Si](C)(C)C)[Si]51N([Si](C)(C)C)P(Cl)N5[Si](C)(C)C)P1P3P2P13.c1(ccccc1)F.[Ga](Cl)([Cl-])(Cl)Cl |
| Title of publication | Formation of the spirocyclic, Si-centered cage cations [ClP(NSiMe3)2Si(NSiMe3)2P5](+) and [P5(NSiMe3)2Si(NSiMe3)2P5](2.). |
| Authors of publication | Holthausen, M. H.; Weigand, J. J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 1953 - 1961 |
| a | 9.7057 ± 0.0001 Å |
| b | 18.1074 ± 0.0003 Å |
| c | 23.8559 ± 0.0004 Å |
| α | 90° |
| β | 93.677 ± 0.001° |
| γ | 90° |
| Cell volume | 4183.92 ± 0.11 Å3 |
| Cell temperature | 153 ± 1 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1379 |
| Weighted residual factors for all reflections included in the refinement | 0.144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035422.cif |
| 176093 | 2016-02-05 | cif/ Updating files of 7035419, 7035420, 7035421, 7035422 Original log message: Adding full bibliography for 7035419--7035422.cif. |
7035422.cif |
| 139245 | 2015-06-16 | cif/ Adding structures of 7035419, 7035420, 7035421, 7035422 via cif-deposit CGI script. |
7035422.cif |
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Users of the data should acknowledge the original authors of the
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