Information card for entry 7702366

Structure parameters

• Common name: Copper-selenato-selenido-cluster
• Chemical name: The CIF file for the structure of 3
• Formula: C138 H320 Cu50 O2 P10 Se30
• Calculated formula: C138 Cu50 O2 P10 Se30
• Title of publication: Novel Cu‒Se clusters with Se‒layer structures: [Cu32Se7(SenBu)18(PiPr3)6], [Cu50Se20(SetBu)10(PiPr3)10], [Cu73Se35(SePh)3(PiPr3)21], [Cu140Se70(PEt3)34] and [Cu140Se70(PEt3)36]
• Authors of publication: Zhu, Nianyong; Fenske, Dieter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 1067
• a: 33.998 ± 0.007 Å
• b: 20.16 ± 0.004 Å
• c: 19.923 ± 0.004 Å
• α: 90°
• β: 119.44 ± 0.03°
• γ: 90°
• Cell volume: 11892 ± 5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections: 0.206
• Weighted residual factors for significantly intense reflections: 0.1892
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No