Information card for entry 4332929

Structure parameters

• Formula: C28 H50 Cu2 Fe P2 Se2
• Calculated formula: C28 H50 Cu2 Fe P2 Se2
• SMILES: [Se]12[Cu]3([Se]([Cu]13[P](C(C)C)(C(C)C)C(C)C)[c]13[cH]4[Fe]56789%101([c]12[cH]5[cH]6[cH]7[cH]81)[cH]3[cH]9[cH]4%10)[P](C(C)C)(C(C)C)C(C)C
• 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: 10.5499 ± 0.0007 Å
• b: 12.4427 ± 0.001 Å
• c: 25.042 ± 0.002 Å
• α: 90°
• β: 99.12 ± 0.02°
• γ: 90°
• Cell volume: 3245.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No