Information card for entry 2017442

Structure parameters

• Chemical name: bis(3-carboxybenzoato-κ<i>O</i>)bis(4-methyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II)
• Formula: C24 H22 Cu N4 O8
• Calculated formula: C24 H22 Cu N4 O8
• SMILES: O=C(c1cc(ccc1)C(=O)O)O[Cu]([n]1c[nH]c(c1)C)([n]1c[nH]c(c1)C)OC(=O)c1cc(ccc1)C(=O)O
• Title of publication: Two two-dimensional hydrogen-bonded coordination networks: bis(3-carboxybenzoato-κ<i>O</i>)bis(4-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) and bis(3-methylbenzoato-κ<i>N</i>)bis(4-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) monohydrate
• Authors of publication: Wang, Ziliang; Wei, Linheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m481 - m484
• a: 7.3188 ± 0.0006 Å
• b: 8.5847 ± 0.0007 Å
• c: 10.1033 ± 0.0008 Å
• α: 96.487 ± 0.001°
• β: 98.756 ± 0.002°
• γ: 107.62 ± 0.001°
• Cell volume: 589.37 ± 0.08 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes