Information card for entry 1517655

Structure parameters

• Formula: C16 H16 Cu N2 O6
• Calculated formula: C16 H16 Cu N2 O6
• SMILES: [Cu]1([n]2c(c3[n]1cccc3)cccc2)(OC(=O)/C=C/C=C/C(=O)[O-])(OC(=O)/C=C/C=C/C(=O)O[Cu]1([OH2])[n]2ccccc2c2[n]1cccc2)[OH2].O.O
• Title of publication: Muconate bridged coordination polymers of Cu(II): Effect of auxiliary ligand on their structural architectures
• Authors of publication: Mohammad Hedayetullah Mir; Jagadese J. Vittal
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 403
• Pages of publication: 97 - 101
• a: 8.7526 ± 0.0005 Å
• b: 9.9887 ± 0.0006 Å
• c: 11.2859 ± 0.0007 Å
• α: 116.225 ± 0.001°
• β: 107.319 ± 0.001°
• γ: 92.478 ± 0.001°
• Cell volume: 827.21 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0284
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No