Information card for entry 4348401

Structure parameters

• Formula: C30 H40 Cu3 N2 O14
• Calculated formula: C30 H40 Cu3 N2 O14
• Title of publication: New tricopper(ii) cores self-assembled from aminoalcohol biobuffers and homophthalic acid: synthesis, structural and topological features, magnetic properties and mild catalytic oxidation of cyclic and linear C5‒C8 alkanes
• Authors of publication: Dias, Sara S. P.; Kirillova, Marina V.; André, Vânia; Kłak, Julia; Kirillov, Alexander M.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 525
• a: 18.2009 ± 0.0007 Å
• b: 13.56 ± 0.0004 Å
• c: 13.3152 ± 0.0005 Å
• α: 90°
• β: 99.471 ± 0.002°
• γ: 90°
• Cell volume: 3241.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No