Information card for entry 4080481

Structure parameters

• Formula: C32 H24 N2 Si
• Calculated formula: C32 H24 N2 Si
• SMILES: [Si]1(C(=C(C(=C1c1ccc(cc1)C#N)c1ccccc1)c1ccccc1)c1ccc(C#N)cc1)(C)C
• Title of publication: Synthesis of 2,5-Substituted Siloles and Optical Study of Interactions with Mercury(II), Copper(II), and Nickel(II) Cations
• Authors of publication: Carroll, James B.; Braddock-Wilking, Janet
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1905
• a: 18.8812 ± 0.0004 Å
• b: 13.8509 ± 0.0003 Å
• c: 19.7703 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5170.36 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.121
• 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