Information card for entry 7712772

Structure parameters

• Formula: C61 H91 Al I2 N4 Si2
• Calculated formula: C61 H91 Al I2 N4 Si2
• SMILES: I[Al](I)([Si]1([Si]2[N](=C(N2C(C)(C)C)c2ccccc2)C(C)(C)C)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)C1(C=C(C(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: One Silicon Atom of Bis(silylene) Functions as a Selective Lewis Base under Adduct Formation with a Lewis Acid
• Authors of publication: Roesky, Herbert W.; Ding, Yi; Nazish, Mohd; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.844 ± 0.002 Å
• b: 14.573 ± 0.002 Å
• c: 18.054 ± 0.003 Å
• α: 74.93 ± 0.02°
• β: 88.59 ± 0.03°
• γ: 72.68 ± 0.02°
• Cell volume: 3110 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No