Information card for entry 2017443

Structure parameters

• Chemical name: bis(3-methylbenzoato-κ<i>N</i>)bis(4-methyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II) monohydrate
• Formula: C24 H28 Cu N4 O5
• Calculated formula: C24 H28 Cu N4 O5
• SMILES: [Cu](OC(=O)c1cc(ccc1)C)(OC(=O)c1cc(ccc1)C)([n]1c[nH]c(c1)C)[n]1c[nH]c(c1)C.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: 14.386 ± 0.0002 Å
• b: 15.262 ± 0.0004 Å
• c: 24.6922 ± 0.0005 Å
• α: 90°
• β: 113.288 ± 0.002°
• γ: 90°
• Cell volume: 4979.71 ± 0.19 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 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: 0.0938
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes