Information card for entry 7711848

Structure parameters

• Formula: C17 H22 Cu N4 O8
• Calculated formula: C17 H22 Cu N4 O8
• SMILES: [Cu]12(Oc3c(cccc3OC)C=[N]1NC(=[O]2)c1ccc(cc1)N)(ON(=O)=O)[OH]C.OC
• Title of publication: Green carbon-carbon homocoupling of terminal alkynes by a silica supported Cu(II)-hydrazone coordination compound.
• Authors of publication: Heydari, Neda; Bikas, Rahman; Siczek, Milosz; Lis, Tadeusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 421 - 433
• a: 7.814 ± 0.002 Å
• b: 11.098 ± 0.003 Å
• c: 12.616 ± 0.004 Å
• α: 98.42 ± 0.05°
• β: 105.98 ± 0.05°
• γ: 107.55 ± 0.05°
• Cell volume: 970.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No