Information card for entry 7702365

Structure parameters

• Common name: Copper-selenato-selenido-cluster
• Chemical name: The CIF file for the structure of 2
• Formula: C126 H288 Cu32 P6 Se25
• Calculated formula: C126 H270 Cu32 P6 Se25
• 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: 16.628 ± 0.003 Å
• b: 29.937 ± 0.006 Å
• c: 19.847 ± 0.004 Å
• α: 90°
• β: 101.79 ± 0.03°
• γ: 90°
• Cell volume: 9671 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections: 0.233
• Weighted residual factors for significantly intense reflections: 0.2017
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No