Information card for entry 4116289

Structure parameters

• Formula: C52 H32 Cl4 N8 O12 Re4
• Calculated formula: C58 H32 Cl4 N8 O14 Re4
• SMILES: c1cc2cc[n]1[Re]([n]1ccc(cc1)c1cc[n](cc1)[Re]([n]1ccc(c3cc[n](cc3)[Re]([n]3ccc(c4cc[n](cc4)[Re]([n]4ccc2cc4)(C#[O])(C#[O])(C#[O])Cl)cc3)(C#[O])(C#[O])(C#[O])Cl)cc1)(C#[O])(C#[O])(C#[O])Cl)(C#[O])(C#[O])(C#[O])Cl.O=C(C)C.O=C(C)C
• Title of publication: Thin-Film Molecular Materials Based on Tetrametallic "Squares": Nanoscale Porosity and Size-Selective Guest Transport Characteristics
• Authors of publication: Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern; Robert V. Slone; David F. Watson; Thomas G. Carrell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 557 - 563
• a: 22.72 ± 0.02 Å
• b: 22.72 ± 0.02 Å
• c: 13.54 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6989 ± 10 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.0595
• Goodness-of-fit parameter for all reflections: 1.822
• Goodness-of-fit parameter for significantly intense reflections: 2.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No