Information card for entry 2016328

Structure parameters

• Chemical name: catena-Poly[[aquacopper(II)]-μ-hydroxido-μ-naphthalene-1-carboxylato- κ^2^O:O']
• Formula: C11 H10 Cu O4
• Calculated formula: C11 H10 Cu O4
• SMILES: [Cu]12(OC(=O)c3cccc4c3cccc4)(O)([OH2])[O]=C(c3cccc4c3cccc4)O[Cu]([OH]1)[OH2]2
• Title of publication: <i>catena</i>-Poly[[aquacopper(II)]-μ-hydroxido-μ-naphthalene-1-carboxylato-κ^2^<i>O</i>:<i>O</i>']: effect of a bulky aromatic skeleton in self-assembly
• Authors of publication: Chun-Sen Liu; Ze Chang; Jun-Jie Wang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m589 - m591
• a: 15.9395 ± 0.0007 Å
• b: 6.2397 ± 0.0002 Å
• c: 10.6094 ± 0.0006 Å
• α: 90°
• β: 101.383 ± 0.003°
• γ: 90°
• Cell volume: 1034.43 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes