Information card for entry 7009753

Structure parameters

• Common name: [CuL](MeOSO3)2
• Formula: C10 H24 Cu N8 O10 S2
• Calculated formula: C10 H24 Cu N8 O10 S2
• SMILES: [Cu]123[N](CC[N]2=C(NC(=[NH]3)OC)N)=C(NC(=[NH]1)OC)N.S(=O)(=O)([O-])OC.S(=O)(=O)([O-])OC
• Title of publication: Anion recognition by conservation of hydrogen-bonding patterns in salts of copper(II) co-ordinated by tetradentate bis(amidino-O-alkylurea) ligands †
• Authors of publication: Blake, Alexander J.; Hubberstey, Peter; Suksangpanya, Unchulee; Wilson, Claire L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3873
• a: 10.097 ± 0.001 Å
• b: 10.143 ± 0.001 Å
• c: 11.55 ± 0.001 Å
• α: 114.325 ± 0.002°
• β: 98.612 ± 0.002°
• γ: 98.146 ± 0.002°
• Cell volume: 1038.21 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0585
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No