Information card for entry 7216572

Structure parameters

• Common name: [CuL2m]Cl2.2H2O
• Formula: C8 H22 Cl2 Cu N8 O4
• Calculated formula: C8 H22 Cl2 Cu N8 O4
• SMILES: [Cu]123[N](CC[N]2=C(NC(=[NH]3)OC)N)=C(NC(=[NH]1)OC)N.[Cl-].[Cl-].O.O
• 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: 8.506 ± 0.003 Å
• b: 10.264 ± 0.002 Å
• c: 10.715 ± 0.002 Å
• α: 111.71 ± 0.02°
• β: 93.51 ± 0.02°
• γ: 103.06 ± 0.02°
• Cell volume: 835.7 ± 0.4 ų
• Cell temperature: 220 ± 1 K
• Ambient diffraction temperature: 220 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections: 1.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No