Information card for entry 4307998

Structure parameters

• Common name: compound 2, HgCl(C5Me4-tBu)
• Formula: C13 H21 Cl Hg
• Calculated formula: C13 H21 Cl Hg
• SMILES: [Hg](Cl)C1(C(=C(C(=C1C)C)C)C)C(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: 25.236 ± 0.0014 Å
• b: 9.0785 ± 0.0004 Å
• c: 26.7146 ± 0.0015 Å
• α: 90°
• β: 114.163 ± 0.001°
• γ: 90°
• Cell volume: 5584.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No