Information card for entry 7040582

Structure parameters

• Formula: C24 H30 Cl2 Cu N8
• Calculated formula: C24 H30 Cl2 Cu N8
• SMILES: [Cu]1(Cl)(Cl)[n]2c(n(c3c2cccc3)Cc2cn(nn2)C2CCCCC2)c2[n]1nn(C1CCCCC1)c2
• Title of publication: Benzimidazole-triazole ligands with pendent triazole functionality: unexpected formation and effects on copper-catalyzed aerobic alcohol oxidation.
• Authors of publication: Kongkaew, Manisa; Sitthisuwannakul, Kannika; Nakarajouyphon, Vasut; Pornsuwan, Soraya; Kongsaeree, Palangpon; Sangtrirutnugul, Preeyanuch
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16810 - 16819
• a: 13.4626 ± 0.0004 Å
• b: 12.0213 ± 0.0003 Å
• c: 17.5823 ± 0.0007 Å
• α: 90°
• β: 111.494 ± 0.0012°
• γ: 90°
• Cell volume: 2647.59 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0917
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No