Information card for entry 7026805

Structure parameters

• Formula: C12.5 H8 Cu2 N2 O10.5
• Calculated formula: C12.5 H4 Cu2 N2 O10.5
• Title of publication: Long-range ferromagnetic ordering in a 3D Cu(II)-tetracarboxylate framework assisted by an unprecedented bidentate μ2-O1,N4 hypoxanthine nucleobase.
• Authors of publication: Yang, En-Cui; Liu, Zheng-Yu; Liu, Zhong-Yi; Zhao, Li-Na; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 8868 - 8871
• a: 12.0693 ± 0.0005 Å
• b: 11.0441 ± 0.0005 Å
• c: 10.9609 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1461.03 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No