Information card for entry 7222150

Structure parameters

• Formula: C13 H18 Cl Cu N5 O7
• Calculated formula: C13 H18 Cl Cu N5 O7
• SMILES: [Cu]12(Oc3c(cc(Cl)cc3)C=[N]1CC[N]12CC[NH2+]CC1)ON(=O)=O.N(=O)(=O)[O-]
• 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: 22.0294 ± 0.0006 Å
• b: 6.6638 ± 0.0002 Å
• c: 12.1691 ± 0.0003 Å
• α: 90°
• β: 98.658 ± 0.002°
• γ: 90°
• Cell volume: 1766.06 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No