Information card for entry 4348078

Structure parameters

• Formula: C20 H29 Cu1.5 N5 O8
• Calculated formula: C20 H29 Cu1.5 N5 O8
• Title of publication: Di- versus Trinuclear Copper(II) Cryptate for the Uptake of Dicarboxylate Anions.
• Authors of publication: Esteves, Catarina V.; Mateus, Pedro; André, Vânia; Bandeira, Nuno A. G.; Calhorda, Maria José; Ferreira, Liliana P.; Delgado, Rita
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 14
• Pages of publication: 7051 - 7060
• a: 9.8537 ± 0.0006 Å
• b: 17.0537 ± 0.0011 Å
• c: 27.5549 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4630.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No