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Information card for entry 4071063
Preview
| Coordinates | 4071063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MeSi(phacH)3 |
|---|---|
| Chemical name | 3,3',3"-[Methylsilylidynetris(1,4-phenylene)]tris(2,4-pentanedione) |
| Formula | C34 H36 O6 Si |
| Calculated formula | C34 H36 O6 Si |
| SMILES | [Si](C)(c1ccc(cc1)C(=C(\O)C)\C(=O)C)(c1ccc(cc1)C(=C(\O)C)\C(=O)C)c1ccc(cc1)/C(=C(O)\C)C(=O)C |
| Title of publication | Organosilicon-Based Multifunctional β-Diketones and their Rhodium and Iridium Complexes |
| Authors of publication | Pariya, Chandi; Marcos, Yoseph S.; Zhang, Yixun; Fronczek, Frank R.; Maverick, Andrew W. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 17 |
| Pages of publication | 4318 |
| a | 7.3493 ± 0.001 Å |
| b | 22.774 ± 0.005 Å |
| c | 18.64 ± 0.005 Å |
| α | 90° |
| β | 91.177 ± 0.007° |
| γ | 90° |
| Cell volume | 3119.2 ± 1.2 Å3 |
| Cell temperature | 105 K |
| Ambient diffraction temperature | 105 K |
| Number of distinct elements | 4 |
| 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 | 0.134 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178599 (current) | 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 4/07/10. |
4071063.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071063.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071063.cif |
| 43021 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071061, 4071062, 4071063, 4071064, 4071065, 4071066, 4071067 via cif-deposit CGI script. |
4071063.cif |
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