Information card for entry 4308000

Structure parameters

• Common name: compound 4, HgCl(C5H4SiMe3)
• Formula: C8 H13 Cl Hg Si
• Calculated formula: C8 H13 Cl Hg Si
• SMILES: [Hg](Cl)C1([Si](C)(C)C)C=CC=C1
• Title of publication: Solid-State Structures and Solution Studies of Novel Cyclopentadienyl Mercury Compounds
• Authors of publication: Abdessamad Grirrane; Irene Resa; Diego del Río; Amor Rodríguez; Eleuterio Álvarez; Kurt Mereiter; Ernesto Carmona
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4667 - 4676
• a: 6.6159 ± 0.0005 Å
• b: 22.6512 ± 0.0016 Å
• c: 15.1872 ± 0.0011 Å
• α: 90°
• β: 91.469 ± 0.002°
• γ: 90°
• Cell volume: 2275.2 ± 0.3 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: 0.0689
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1009
• 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: No
• Has Fobs: No