Information card for entry 7009286

Structure parameters

• Formula: C216 H180 Cu11 In15 P4 Se40
• Calculated formula: C240 Cu11 In15 P4 Se40
• Title of publication: Syntheses and structures of new copper(I)‒indium(III)‒selenide clusters †
• Authors of publication: Eichhöfer, Andreas; Fenske, Dieter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 941
• a: 25.431 ± 0.003 Å
• b: 25.431 ± 0.003 Å
• c: 25.431 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16447 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections: 0.1449
• Weighted residual factors for significantly intense reflections: 0.1429
• Goodness-of-fit parameter for all reflections: 1.281
• Goodness-of-fit parameter for significantly intense reflections: 1.297
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No