Information card for entry 4071063

Structure parameters

• 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 ų
• 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