Information card for entry 4071061

Structure parameters

• Common name: Me2Si(phacH)2
• Chemical name: 3,3'-[dimethylsilylenebis(1,4-phenylene)]bis(2,4-pentanedione)
• Formula: C24 H28 O4 Si
• Calculated formula: C24 H28 O4 Si
• SMILES: [Si](C)(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: 8.016 ± 0.002 Å
• b: 8.044 ± 0.002 Å
• c: 17.791 ± 0.004 Å
• α: 87.401 ± 0.008°
• β: 83.35 ± 0.008°
• γ: 81.92 ± 0.011°
• Cell volume: 1127.7 ± 0.5 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 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: 0.062
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No