Information card for entry 7222152

Structure parameters

• Formula: C15 H25 Cu N5 O9
• Calculated formula: C15 H25 Cu N5 O9
• SMILES: [Cu]12([N](CC[N]32CC[NH2+]CC3)=Cc2c(O1)cc(OC)cc2)ON(=O)=O.O=N(=O)[O-].OC
• Title of publication: A family of ligand and anion dependent structurally diverse Cu(II) Schiff-base complexes and their catalytic efficacy in O-arylation reaction in ethanolic medium
• Authors of publication: Maity, Tanmoy; Saha, Debraj; Bhunia, Susmita; Brandao, Paula; Das, Soma; Koner, Subratanath
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.0035 ± 0.0005 Å
• b: 9.561 ± 0.0004 Å
• c: 18.1151 ± 0.0008 Å
• α: 90°
• β: 105.715 ± 0.003°
• γ: 90°
• Cell volume: 2001.28 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0885
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No