Information card for entry 4071064

Structure parameters

• Common name: MeSi(phprH)3
• Chemical name: 4,4',4"-[Methylsilylidynetris(1,4-phenylene)]tris(3,5-heptanedione)
• Formula: C40 H48 O6 Si
• Calculated formula: C40 H47.75 O6 Si
• SMILES: [Si](C)(c1ccc(cc1)/C(=C(O)\CC)C(=O)CC)(c1ccc(cc1)C(=C(\O)CC)\C(=O)CC)c1ccc(cc1)C(=C(O)CC)\C(=O)CC
• 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: 13.336 ± 0.002 Å
• b: 22.955 ± 0.003 Å
• c: 25.885 ± 0.004 Å
• α: 70.796 ± 0.008°
• β: 78.854 ± 0.008°
• γ: 89.768 ± 0.009°
• Cell volume: 7326.8 ± 1.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.193
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No