Information card for entry 1517609

Structure parameters

• Formula: C13 H10 Cu N2 O8
• Calculated formula: C13 H10 Cu N2 O8
• Title of publication: Acid directed in situ oxidation and decarboxylation of 4,4',6,6'- tetra-methyl-2,2'-bipyridine: Synthesis and structural characterisation of 4,4',6-tri-carboxy-2,2'-bipyridine and its copper(II) coordination polymer
• Authors of publication: Niamh R. Kelly; Sandrine Goetz; Chris S. Hawes; Paul E. Kruger
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 403
• Pages of publication: 102 - 109
• a: 17.3392 ± 0.0007 Å
• b: 11.4434 ± 0.0005 Å
• c: 6.7896 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1347.19 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No