Information card for entry 4332933

Structure parameters

• Formula: C178.2 H293.2 Cu36 Fe6 P12 S1.7 Se24
• Calculated formula: C178.2 Cu36 Fe6 P12 S1.7 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: 19.763 ± 0.004 Å
• b: 21.774 ± 0.004 Å
• c: 61.137 ± 0.012 Å
• α: 90°
• β: 91.62 ± 0.03°
• γ: 90°
• Cell volume: 26298 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1337
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2538
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No