Information card for entry 2015667

Structure parameters

• Chemical name: Aquachloronitrato(2,2'-bipyridyl)copper(II)
• Formula: C10 H10 Cl Cu N3 O4
• Calculated formula: C10 H10 Cl Cu N3 O4
• SMILES: [Cu]1([n]2c(c3[n]1cccc3)cccc2)(Cl)([OH2])ON(=O)=O
• Title of publication: Aqua(2,2'-bipyridyl)chloronitratocopper(II)
• Authors of publication: Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m574 - m576
• a: 10.8944 ± 0.0003 Å
• b: 10.676 ± 0.0003 Å
• c: 11.0496 ± 0.0003 Å
• α: 90°
• β: 106.86 ± 0.001°
• γ: 90°
• Cell volume: 1229.92 ± 0.06 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes