Information card for entry 4307997

Structure parameters

• Common name: compound 1, HgCl(C5Me4H)
• Formula: C9 H13 Cl Hg
• Calculated formula: C9 H13 Cl Hg
• SMILES: [Hg](Cl)C1C(=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: 4.1704 ± 0.0006 Å
• b: 8.7597 ± 0.0013 Å
• c: 13.318 ± 0.002 Å
• α: 92.219 ± 0.006°
• β: 91.385 ± 0.005°
• γ: 97.15 ± 0.005°
• Cell volume: 482.17 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No