Information card for entry 4348171

Structure parameters

• Formula: C24 H24 Cu N4 O2
• Calculated formula: C24 H24 Cu N4 O2
• SMILES: [Cu]123N(c4c(N3C(=O)[C@@H]([NH2]1)Cc1ccccc1)cccc4)C(=O)[C@@H]([NH2]2)Cc1ccccc1
• Title of publication: Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.
• Authors of publication: Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7617 - 7629
• a: 10.1351 ± 0.0002 Å
• b: 10.5175 ± 0.0002 Å
• c: 11.9667 ± 0.0002 Å
• α: 81.1495 ± 0.0017°
• β: 67.742 ± 0.002°
• γ: 62.348 ± 0.002°
• Cell volume: 1045.34 ± 0.04 ų
• Cell temperature: 199.95 ± 0.1 K
• Ambient diffraction temperature: 199.95 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No