Information card for entry 7031504

Structure parameters

• Formula: C30 H38 Cu3 N3 O15
• Calculated formula: C30 H28 Cu3 N3 O15
• 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: 16.3913 ± 0.0007 Å
• b: 16.3913 ± 0.0007 Å
• c: 23.2922 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5419.6 ± 0.4 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: 0.0867
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No