Information card for entry 4307999

Structure parameters

• Common name: compound 3, HgCl(C5Me4SiMe3)
• Formula: C12 H21 Cl Hg Si
• Calculated formula: C12 H21 Cl Hg Si
• SMILES: [Hg](Cl)C1([Si](C)(C)C)C(=C(C(=C1C)C)C)C
• 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: 13.352 ± 0.003 Å
• b: 14.702 ± 0.004 Å
• c: 18.093 ± 0.003 Å
• α: 68.94 ± 0.02°
• β: 81.23 ± 0.02°
• γ: 63.21 ± 0.02°
• Cell volume: 2958.5 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No