Information card for entry 2311616

Structure parameters

• Chemical name: Tetrakis(μ-4-methoxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(dimethylformamide-κ<i>O</i>)copper(II)]
• Formula: C38 H42 Cu2 N2 O14
• Calculated formula: C38 H42 Cu2 N2 O14
• SMILES: C1(=[O][Cu]234([Cu](O1)(OC(=[O]4)c1ccc(cc1)OC)([O]=C(c1ccc(cc1)OC)O3)([O]=C(c1ccc(cc1)OC)O2)[O]=CN(C)C)[O]=CN(C)C)c1ccc(cc1)OC
• 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: 12.2001 ± 0.0002 Å
• b: 18.1548 ± 0.0004 Å
• c: 9.2514 ± 0.0002 Å
• α: 90°
• β: 101.042 ± 0.001°
• γ: 90°
• Cell volume: 2011.16 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.06
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No