Information card for entry 1559330

Structure parameters

• Formula: C30 H16 Cl4 N8 O12 Re4 S4
• Calculated formula: C30 H16 Cl4 N8 O12 Re4 S4
• Title of publication: Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound
• Authors of publication: Amemiya, Erika; Loo, Aaron; Shlian, Daniel G.; Parkin, Gerard
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 21.1222 ± 0.0009 Å
• b: 15.1915 ± 0.0007 Å
• c: 13.8822 ± 0.0006 Å
• α: 90°
• β: 99.791 ± 0.001°
• γ: 90°
• Cell volume: 4389.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No