Information card for entry 4323700

Structure parameters

• Formula: C40 H52 Cl4 Hg In2 O5
• Calculated formula: C40 H52 Cl4 Hg In2 O5
• SMILES: [In](Cl)([O]1CCCC1)([O]1CCCC1)(c1cccc2cccc([Hg]3)c12)c1cccc2cccc3c12.[In](Cl)(Cl)(Cl)([O]1CCCC1)([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: 17.529 ± 0.002 Å
• b: 8.954 ± 0.001 Å
• c: 27.704 ± 0.002 Å
• α: 90°
• β: 107.02 ± 0.01°
• γ: 90°
• Cell volume: 4157.8 ± 0.8 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 199 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.0632
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No