Information card for entry 2232792

Structure parameters

• Chemical name: Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato- κ<i>O</i>]copper(II) monohydrate
• Formula: C32 H32 Cu N4 O5
• Calculated formula: C32 H32 Cu N4 O5
• SMILES: C(=O)(Cc1cccc2c1cccc2)O[Cu]([n]1ccn(c1)C)([n]1ccn(c1)C)OC(=O)Cc1cccc2c1cccc2.O
• Title of publication: Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-κ<i>O</i>]copper(II) monohydrate
• Authors of publication: Yin, Fu-Jun; Han, Li-Jun; Yang, Shu-Ping; Xu, Xing-You; Gu, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1821
• a: 8.7213 ± 0.001 Å
• b: 12.8689 ± 0.0014 Å
• c: 13.5787 ± 0.0015 Å
• α: 107.223 ± 0.001°
• β: 90.295 ± 0.002°
• γ: 90.931 ± 0.001°
• Cell volume: 1455.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes