Information card for entry 7041914

Structure parameters

• Formula: C35 H42 Cu N4 O4
• Calculated formula: C35 H42 Cu N4 O4
• SMILES: [Cu]123[NH]([C@H](C(=O)N2CCCN3C(=O)[C@@H]([NH]1Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.O.O
• Title of publication: Cu(2+) recognition by N,N'-benzylated bis(amino amides).
• Authors of publication: Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2660 - 2669
• a: 9.6591 ± 0.0003 Å
• b: 15.9975 ± 0.0004 Å
• c: 10.4363 ± 0.0003 Å
• α: 90°
• β: 97.225 ± 0.003°
• γ: 90°
• Cell volume: 1599.83 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 297.9 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No