Information card for entry 2311615

Structure parameters

• Chemical name: Tetrakis(μ~2~-4-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)] dimethylformamide disolvate dihydrate
• Formula: C34 H42 Cu2 N2 O18
• Calculated formula: C34 H42 Cu2 N2 O18
• SMILES: N(C=O)(C)C.[Cu]1234([Cu]([OH2])([O]=C(c5ccc(cc5)O)O2)(OC(=[O]1)c1ccc(cc1)O)(OC(=[O]4)c1ccc(cc1)O)[O]=C(c1ccc(cc1)O)O3)[OH2].O.CN(C)C=O.O
• Title of publication: Supramolecular architecture of metal-organic frameworks involving dinuclear copper paddle-wheel complexes.
• Authors of publication: Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas
• Journal of publication: Acta crystallographica. Section C, Crystal structure communications
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 12
• Pages of publication: 1498 - 1502
• a: 9.6946 ± 0.0002 Å
• b: 10.4874 ± 0.0002 Å
• c: 10.6819 ± 0.0002 Å
• α: 82.458 ± 0.001°
• β: 66.951 ± 0.001°
• γ: 81.904 ± 0.001°
• Cell volume: 985.92 ± 0.03 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No