Information card for entry 7040583

Structure parameters

• Formula: C22 H33 Cl2 Cu N9 Si2
• Calculated formula: C22 H33 Cl2 Cu N9 Si2
• 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: 8.9699 ± 0.0002 Å
• b: 13.5062 ± 0.0004 Å
• c: 14.1297 ± 0.0004 Å
• α: 100.701 ± 0.001°
• β: 103.079 ± 0.0011°
• γ: 105.853 ± 0.0009°
• Cell volume: 1547.01 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2229
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No