Information card for entry 4065859

Structure parameters

• Formula: C70 H84 N4 O2 Si2
• Calculated formula: C70 H84 N4 O2 Si2
• SMILES: C1(c2ccccc2)=[N]([Si]23(N1C(C)(C)C)(O[Si]13([N](=C(c3ccccc3)N1C(C)(C)C)C(C)(C)C)(O2)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Synthesis of a Stable Four-Membered Si2O2Ring and a Dimer with Two Four-Membered Si2O2Rings Bridged by Two Oxygen Atoms, with Five-Coordinate Silicon Atoms in Both Ring Systems
• Authors of publication: Sen, Sakya S.; Tavčar, Gašper; Roesky, Herbert W.; Kratzert, Daniel; Hey, Jakob; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 2343
• a: 12.484 ± 0.0017 Å
• b: 11.4379 ± 0.0016 Å
• c: 21.383 ± 0.003 Å
• α: 90°
• β: 100.954 ± 0.003°
• γ: 90°
• Cell volume: 2997.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No