Information card for entry 7202610

Structure parameters

• Common name: (MeB(3-(Mes)Pz)3)CuCl.CH2Cl2
• Formula: C38 H44 B Cl3 Cu N6
• Calculated formula: C38 H44 B Cl3 Cu N6
• SMILES: [Cu]12([n]3n([B](n4[n]1c(cc4)c1c(cc(cc1C)C)C)(n1[n]2c(cc1)c1c(cc(cc1C)C)C)C)ccc3c1c(cc(cc1C)C)C)Cl.ClCCl
• Title of publication: Eco-friendly synthesis of high-quality polyaniline using a copper(ii) scorpionate catalyst
• Authors of publication: Rasika Dias, H. V.; Gamini Rajapakse, R. M.; Milan Krishantha, D. M.; Fianchini, Mauro; Wang, Xiaoyu; Elsenbaumer, Ronald L.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 1762
• a: 12.6899 ± 0.0013 Å
• b: 18.2468 ± 0.0018 Å
• c: 18.7138 ± 0.0018 Å
• α: 68.885 ± 0.001°
• β: 88.916 ± 0.002°
• γ: 71.552 ± 0.001°
• Cell volume: 3812.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No