Information card for entry 7204883

Structure parameters

• Formula: C10 H17 Br2 Cu N5 O2
• Calculated formula: C10 H17 Br2 Cu N5 O2
• SMILES: [Cu]12([NH]=C(NC(=[N]1Cc1[n]2cccc1)N)OC)Br.[Br-].OC
• 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: 8.6911 ± 0.0005 Å
• b: 13.1827 ± 0.0007 Å
• c: 13.275 ± 0.0007 Å
• α: 90°
• β: 93.128 ± 0.001°
• γ: 90°
• Cell volume: 1518.68 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No