Information card for entry 4332931

Structure parameters

• Formula: C137 H258 Cu20 Fe4 P10 Se14
• Calculated formula: C137 H242 Cu20 Fe4 P10 Se14
• 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: 16.325 ± 0.001 Å
• b: 18.02 ± 0.001 Å
• c: 18.004 ± 0.001 Å
• α: 79.962 ± 0.005°
• β: 78.051 ± 0.005°
• γ: 68.331 ± 0.005°
• Cell volume: 4787.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No