Information card for entry 2217184

Structure parameters

• Chemical name: (1-{2-[2-(2-Ammonioethylamino)ethylamino]ethyliminomethyl}-2-naphtholato- κ^4^O,N,N',N'')chloridocopper(II) chloride
• Formula: C17 H24 Cl2 Cu N4 O
• Calculated formula: C17 H24 Cl2 Cu N4 O
• SMILES: [Cu]123(Cl)[N](=Cc4c(O3)ccc3c4cccc3)CC[NH]1CC[NH]2CC[NH3+].[Cl-]
• Title of publication: (1-{2-[2-(2-Ammonioethylamino)ethylamino]ethyliminomethyl}-2-naphtholato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>'')chloridocopper(II) chloride
• Authors of publication: Ruiting Xue; Meiju Niu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m118 - m118
• a: 12.2687 ± 0.0017 Å
• b: 13.0277 ± 0.0018 Å
• c: 12.7118 ± 0.0018 Å
• α: 90°
• β: 111.365 ± 0.002°
• γ: 90°
• Cell volume: 1892.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes