Information card for entry 7041916

Structure parameters

• Formula: C35 H42 N4 Ni O4
• Calculated formula: C35 H42 N4 Ni O4
• SMILES: [Ni]123[NH]([C@H](C(=O)N1CCCN2C(=O)[C@@H]([NH]3Cc1ccccc1)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: 10.35136 ± 0.0001 Å
• b: 15.75766 ± 0.00013 Å
• c: 19.30342 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3148.64 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0459
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No