Information card for entry 7041915

Structure parameters

• Formula: C27 H40 N4 Ni O3
• Calculated formula: C27 H40 N4 Ni O3
• SMILES: [Ni]123[NH]([C@H](C(=O)N1CCCN2C(=O)[C@@H]([NH]3Cc1ccccc1)C(C)C)C(C)C)Cc1ccccc1.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: 11.0695 ± 0.0003 Å
• b: 15.2253 ± 0.0004 Å
• c: 16.104 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2714.11 ± 0.13 ų
• Cell temperature: 199.95 ± 0.1 K
• Ambient diffraction temperature: 199.95 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No