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Information card for entry 4075554
Preview
| Coordinates | 4075554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H36 Sn |
|---|---|
| Calculated formula | C25 H36 Sn |
| SMILES | [Sn](C1(c2c(c(c(c(c2c2c(c(c(c(c12)C)C)C)C)C)C)C)C)C)(C)(C)C |
| Title of publication | Bulk Synthesis of Octa- and Nonamethylfluorene (Flu‘ ‘H and Flu*H) and the Characterization of the Organometallic Derivatives Flu*SnMe3, [(FeCp)2Flu*H][PF6]2, and [(FeCp)2Flu‘ ‘H][PF6]2 |
| Authors of publication | Moss, James; Thomas, Jemima; Ashley, Andrew; Cowley, Andrew R.; O'Hare, Dermot |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 18 |
| Pages of publication | 4279 |
| a | 11.086 ± 0.0002 Å |
| b | 17.6453 ± 0.0004 Å |
| c | 12.0116 ± 0.0003 Å |
| α | 90° |
| β | 111.831 ± 0.0013° |
| γ | 90° |
| Cell volume | 2181.15 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Sample thermal history | The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis. |
| Number of distinct elements | 3 |
| 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 | 0.0482 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1174 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4075554.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075554.cif |
| 49308 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075554 via cif-deposit CGI script. |
4075554.cif |
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Users of the data should acknowledge the original authors of the
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