Information card for entry 7000543

Structure parameters

• Common name: tetracosakis(mu4-5-(2-Hydroxyethoxy)benzene-1,3- dicarboxylato)-diaqua-tetradecakis(dimethylsulfoxid)-octamethanol- tetracosa-copper(ii) dimethylsulfoxide methanol solvate
• Formula: C343 H536 Cu24 O213 S36
• Calculated formula: C342.98 H535.92 Cu24 O212.98 S36
• Title of publication: Copper(II) Nanoballs as monomers for polyurethane coatings: synthesis, urethane derivatization and kinetic stability
• Authors of publication: Tonigold, Markus; Hitzbleck, Julia; Bahnmüller, Stefan; Langstein, Gerhard; Volkmer, Dirk
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1363
• a: 26.22 ± 0.005 Å
• b: 39.06 ± 0.008 Å
• c: 26.643 ± 0.005 Å
• α: 90°
• β: 95.64 ± 0.03°
• γ: 90°
• Cell volume: 27154 ± 9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2458
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.2492
• Weighted residual factors for all reflections included in the refinement: 0.3079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No