Information card for entry 4504302

Structure parameters

• Common name: SaltyrCu
• Formula: C26 H25 Cu N3 O4
• Calculated formula: C26 H25 Cu N3 O4
• SMILES: [Cu]12(Oc3c(cccc3)C[NH]1[C@H](C(=O)O2)Cc1ccc(cc1)O)([n]1ccccc1)[n]1ccccc1
• Title of publication: Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex
• Authors of publication: Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1818
• a: 9.2596 ± 0.0004 Å
• b: 9.7379 ± 0.0004 Å
• c: 26.6724 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2405.03 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0456
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No