Information card for entry 7204886

Structure parameters

• Formula: C9 H13 Cl2 Cu N5 O
• Calculated formula: C9 H13 Cl2 Cu N5 O
• SMILES: [Cu]12([N](Cc3[n]2cccc3)=C(NC(=[NH]1)OC)N)Cl.[Cl-]
• 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: 11.4766 ± 0.0011 Å
• b: 8.7847 ± 0.0008 Å
• c: 13.5378 ± 0.0012 Å
• α: 90°
• β: 109.089 ± 0.001°
• γ: 90°
• Cell volume: 1289.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1021
• 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: No