Information card for entry 7029367

Structure parameters

• Common name: Cu11
• Formula: C114 H166 Cu11 N8 O36
• Calculated formula: C114 H166 Cu11 N8 O36
• Title of publication: Oxacalix[4]arene-supported di-, tetra- and undecanuclear copper(ii) clusters.
• Authors of publication: Fairbairn, Robyn E.; McLellan, Ross; McIntosh, Ruaraidh D.; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 14
• Pages of publication: 5292 - 5298
• a: 13.5485 ± 0.0007 Å
• b: 14.4801 ± 0.0007 Å
• c: 18.8246 ± 0.001 Å
• α: 81.546 ± 0.002°
• β: 75.736 ± 0.002°
• γ: 62.611 ± 0.002°
• Cell volume: 3175.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1784
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No