Information card for entry 7114761

Structure parameters

• Formula: C100 H100 Cu8 Fe4 O P4 Se8
• Calculated formula: C100 H92 Cu8 Fe4 O P4 Se8
• Title of publication: 1,1′-Bis(trimethylsilylseleno)ferrocene in cluster synthesis: a redox active surface on a copper‒selenide core
• Authors of publication: Wallbank, Andrew I.; Corrigan, John F.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 377
• a: 24.0514 ± 0.0013 Å
• b: 15.5641 ± 0.0008 Å
• c: 28.0415 ± 0.0015 Å
• α: 90°
• β: 108.202 ± 0.001°
• γ: 90°
• Cell volume: 9971.8 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No