Information card for entry 4327437

Structure parameters

• Formula: C103 H140 Cl2 Cu8 N10 O37 Si12
• Calculated formula: C103 H134 Cl2 Cu8 N10 O37 Si12
• Title of publication: Self-Assembly of High-Nuclearity Metal Clusters: Programmed Expansion of a Metallasiloxane Cage to an Octacopper(II) Cluster
• Authors of publication: Gian Luca Abbati; Andrea Cornia; Andrea Caneschi; Antonio Costantino Fabretti; Cecilia Mortalò
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4540 - 4542
• a: 16.849 ± 0.0003 Å
• b: 22.2966 ± 0.0004 Å
• c: 17.2508 ± 0.0003 Å
• α: 90°
• β: 94.7658 ± 0.0005°
• γ: 90°
• Cell volume: 6458.3 ± 0.2 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 7
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No