Information card for entry 4323701

Structure parameters

• Formula: C28 H28 Br Hg In O2
• Calculated formula: C28 H28 Br Hg In O2
• SMILES: [In](Br)(c1cccc2cccc([Hg]3)c12)(c1cccc2cccc3c12)([O]1CCCC1)[O]1CCCC1
• Title of publication: Unusual Ring Systems Containing Indium. Synthesis and Structure of the First Mercuraindacycles
• Authors of publication: François P. Gabbaï; Annette Schier; Jürgen Riede; Alexander Sladek; Hans W. Görlitzer
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5694 - 5698
• a: 8.368 ± 0.001 Å
• b: 15.357 ± 0.001 Å
• c: 19.446 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2499 ± 0.4 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0462
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No