Information card for entry 7702637

Structure parameters

• Formula: C18 H48 Cl4 Cu F6 Mo3 P7 Se4
• Calculated formula: C18 H48 Cl4 Cu F6 Mo3 P7 Se4
• Title of publication: Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives†
• Authors of publication: Llusar, Rosa; Uriel, Santiago; Vicent, Cristian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2813
• a: 12.607 ± 0.006 Å
• b: 15.879 ± 0.008 Å
• c: 21.314 ± 0.011 Å
• α: 90°
• β: 90.18 ± 0.014°
• γ: 90°
• Cell volume: 4267 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1237
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No