Information card for entry 4323104

Structure parameters

• Formula: C38 H50 N4 O12 Re4 S4
• Calculated formula: C38 H50 N4 O12 Re4 S4
• SMILES: C(#[O])[Re]12(C#[O])([n]3cc[n](cc3)[Re]3(C#[O])(C#[O])(C#[O])[S](CCC)[Re](C#[O])(C#[O])(C#[O])([n]4cc[n](cc4)[Re](C#[O])(C#[O])(C#[O])([S]1CCC)[S]2CCC)[S]3CCC)C#[O].CCCCCC
• Title of publication: Synthesis and Characterization of Molecular Rectangles Based upon Rhenium Thiolate Dimers
• Authors of publication: Kurt D. Benkstein; Joseph T. Hupp; Charlotte L. Stern
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5404 - 5405
• a: 15.024 ± 0.001 Å
• b: 11.248 ± 0.001 Å
• c: 15.73 ± 0.001 Å
• α: 90°
• β: 109.026 ± 0.002°
• γ: 90°
• Cell volume: 2513 ± 0.3 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0622
• Goodness-of-fit parameter for all reflections: 1.932
• Goodness-of-fit parameter for significantly intense reflections: 1.932
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No