Information card for entry 7019624

Structure parameters

• Formula: C18 H32 Cu2 N2 O12
• Calculated formula: C18 H32 Cu2 N2 O12
• Title of publication: [(C(2)H(5))(3)NH](2)Cu(2)(C(2)O(4))(3): a three-dimensional metal-oxalato framework showing structurally related dielectric and magnetic transitions at around 165 K.
• Authors of publication: Zhang, Bin; Zhang, Yan; Zhu, Daoben
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 28
• Pages of publication: 8509 - 8511
• a: 8.6987 ± 0.0001 Å
• b: 34.1408 ± 0.0004 Å
• c: 8.6081 ± 0.0001 Å
• α: 90°
• β: 107.578 ± 0.001°
• γ: 90°
• Cell volume: 2437.07 ± 0.05 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No