Information card for entry 4080482

Structure parameters

• Formula: C37 H40 Cl6 S4 Si
• Calculated formula: C37 H40 Cl6 S4 Si
• 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: 27.5566 ± 0.0019 Å
• b: 14.5109 ± 0.0009 Å
• c: 9.9159 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3965.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No