Information card for entry 4308008

Structure parameters

• Formula: C36 H63 Cl Hg2 Si3
• Calculated formula: C36 H63 Cl Hg2 Si3
• SMILES: [Hg](Cl)C1([Si](C)(C)C)C(=C(C(=C1C)C)C)C.[Hg](C1([Si](C)(C)C)C(=C(C(=C1C)C)C)C)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: 13.603 ± 0.002 Å
• b: 13.808 ± 0.002 Å
• c: 14.618 ± 0.002 Å
• α: 91.692 ± 0.004°
• β: 116.356 ± 0.004°
• γ: 118.452 ± 0.004°
• Cell volume: 2059.4 ± 0.5 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: 0.0379
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4308003
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No