Information card for entry 4332934

Structure parameters

• Formula: C204 H276 Cu36 Fe6 P12 Se24
• Calculated formula: C204 Cu36 Fe6 P12 Se24
• Title of publication: Ferrocenyldiselenolate-Stabilized Copper−Selenium Clusters
• Authors of publication: Nitschke, Christian; Fenske, Dieter; Corrigan, John F.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9394 - 9401
• a: 19.878 ± 0.003 Å
• b: 21.494 ± 0.002 Å
• c: 61.897 ± 0.01 Å
• α: 90°
• β: 92.28 ± 0.01°
• γ: 90°
• Cell volume: 26425 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1259
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2472
• Weighted residual factors for all reflections included in the refinement: 0.2782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No