Information card for entry 4075895

Structure parameters

• Common name: 1,4-Disila(Dewar-benzene)
• Formula: C30 H62 Si4
• Calculated formula: C30 H62 Si4
• SMILES: [Si]12(C(=C([Si]1(C(=C2CC)CC)[Si](C)(C(C)(C)C)C(C)(C)C)CC)CC)[Si](C)(C(C)(C)C)C(C)(C)C
• Title of publication: Silyl-Substituted 1,4-Disila(Dewar benzene): New Synthesis and Unexpected Insertion of CO into the Si−Si Bond To Form a Disilyl Ketone
• Authors of publication: Nakata, Norio; Oikawa, Toru; Matsumoto, Takeshi; Kabe, Yoshio; Sekiguchi, Akira
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3368
• a: 16.579 ± 0.0016 Å
• b: 9.777 ± 0.001 Å
• c: 42.188 ± 0.002 Å
• α: 90°
• β: 95.12 ± 0.0006°
• γ: 90°
• Cell volume: 6811.1 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No