Information card for entry 7702367

Structure parameters

• Common name: Copper-seleno-phenylselenolato-cluster
• Chemical name: The CIF file for the structure of 4
• Formula: C207 H456 Cu73 P21 Se38
• Calculated formula: C180 Cu73.01 P21 Se38
• 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: 38.46 ± 0.008 Å
• b: 25.72 ± 0.005 Å
• c: 36.31 ± 0.007 Å
• α: 90°
• β: 99.61 ± 0.03°
• γ: 90°
• Cell volume: 35413 ± 13 ų
• Cell temperature: 190 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2806
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections: 0.368
• Weighted residual factors for significantly intense reflections: 0.2189
• Goodness-of-fit parameter for all reflections: 0.91
• Goodness-of-fit parameter for significantly intense reflections: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No