Information card for entry 7216571

Structure parameters

• Common name: 1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)
• Chemical name: 1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)
• Formula: C10 H24.6 Br2 Cu N8 O3.3
• Calculated formula: C10 H20 Br2 Cu N8 O3.3
• Title of publication: Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands
• Authors of publication: Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 92
• Pages of publication: 552
• a: 21.904 ± 0.006 Å
• b: 12.9712 ± 0.0004 Å
• c: 6.7694 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1923.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No