Information card for entry 7204884

Structure parameters

• Formula: C10 H15 Cl2 Cu N5 O
• Calculated formula: C10 H15 Cl2 Cu N5 O
• SMILES: [Cu]12(Cl)(Cl)[N](Cc3[n]2cccc3)=C(N)NC(OCC)=[NH]1
• Title of publication: Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides
• Authors of publication: Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 28
• Pages of publication: 159
• a: 12.009 ± 0.0006 Å
• b: 8.5819 ± 0.0004 Å
• c: 13.9542 ± 0.0009 Å
• α: 90°
• β: 103.305 ± 0.002°
• γ: 90°
• Cell volume: 1399.52 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No