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Information card for entry 4071063
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Coordinates | 4071063.cif |
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Original paper (by DOI) | HTML |
Common name | MeSi(phacH)3 |
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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 |
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