Information card for entry 4332930

Structure parameters

• Formula: C56 H100 Cu4 Fe2 P4 Se4
• Calculated formula: C55.5 H99 Cu4 Fe2 P4 Se4
• 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: 13.211 ± 0.003 Å
• b: 15.683 ± 0.003 Å
• c: 17.868 ± 0.004 Å
• α: 79.98 ± 0.03°
• β: 79.34 ± 0.03°
• γ: 67.29 ± 0.03°
• Cell volume: 3334.5 ± 1.5 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: 0.0724
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No