Information card for entry 7034495

Structure parameters

• Formula: C140.1 H160.9 Cu6 Gd6 N12.7 O69.7
• Calculated formula: C140.1 H160.9 Cu6 Gd6 N12.7 O69.7
• Title of publication: Ascorbic acid decomposition into oxalate ions: a simple synthetic route towards oxalato-bridged heterometallic 3d-4f clusters.
• Authors of publication: Dinca, Alina S.; Shova, Sergiu; Ion, Adrian E.; Maxim, Catalin; Lloret, Francesc; Julve, Miguel; Andruh, Marius
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7148 - 7151
• a: 15.1096 ± 0.0004 Å
• b: 18.9651 ± 0.0005 Å
• c: 19.3767 ± 0.0006 Å
• α: 116.117 ± 0.003°
• β: 100.924 ± 0.002°
• γ: 92.814 ± 0.002°
• Cell volume: 4839.6 ± 0.3 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No