Information card for entry 7031503

Structure parameters

• Formula: C60 H77 Cu6 N7 O29
• Calculated formula: C60 H56 Cu6 N7 O29
• Title of publication: Characterization of a meso-chiral isomer of a hexanuclear Cu(ii) cage from racemization of the l-alanine Schiff base.
• Authors of publication: Rajesh, Chinnaiyan Mahalingam; Ray, Manabendra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12952
• a: 16.4342 ± 0.0009 Å
• b: 16.4342 ± 0.0009 Å
• c: 22.5159 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5266.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No