Information card for entry 7028099

Structure parameters

• Formula: C298 H240 Cu52 O2.5 P16 Se26
• Calculated formula: C298 H240 Cu52 O2.5 P16 Se26
• Title of publication: Syntheses and structures of new copper(I) selenide clusters [Cu32Se16(PPh3)12], [Cu52Se26(PPh3)16] and [Cu72Se36(PPh3)20] †
• Authors of publication: Eichhöfer, Andreas; Fenske, Dieter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 18
• Pages of publication: 2969
• a: 22.336 ± 0.005 Å
• b: 23.203 ± 0.005 Å
• c: 37.894 ± 0.008 Å
• α: 91 ± 0.03°
• β: 106.95 ± 0.03°
• γ: 99.06 ± 0.03°
• Cell volume: 18510 ± 8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections: 0.2708
• Weighted residual factors for significantly intense reflections: 0.2371
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No