Information card for entry 7216570

Structure parameters

• Common name: [CuL3m](Cl)2(MeOH)0.5(H2O)
• Formula: C10 H25 Cl2 Cu N8 O3.5
• Calculated formula: C10 H20 Cl2 Cu N8 O3.5
• 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: 12.656 ± 0.002 Å
• b: 13.541 ± 0.002 Å
• c: 21.543 ± 0.003 Å
• α: 90°
• β: 90.071 ± 0.002°
• γ: 90°
• Cell volume: 3691.9 ± 0.9 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: 0.0751
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No