Information card for entry 7009284

Structure parameters

• Formula: C114 H90 Cl4 Cu6 In8 O1.5 P6 Se13
• Calculated formula: C114 H90 Cl4 Cu6 In8 O1.5 P6 Se13
• 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: 22.228 ± 0.004 Å
• b: 22.989 ± 0.005 Å
• c: 28.829 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14732 ± 5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections: 0.1686
• Weighted residual factors for significantly intense reflections: 0.1555
• Goodness-of-fit parameter for all reflections: 1.178
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No