Information card for entry 7207473

Structure parameters

• Formula: C20 H44 Cu2 N6 O16
• Calculated formula: C20 H44 Cu2 N6 O16
• SMILES: C1(=O)[C@@H](N2C(=O)C[NH2][Cu]2([n]2ccc(cc2)c2cc[n](cc2)[Cu]23([NH2]CC(=O)N2[C@@H](C(=O)O3)C)[OH2])(O1)[OH2])C.O.O.O.O.O.O.O.O
• Title of publication: The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel
• Authors of publication: Lou, Benyong; Wei, Yongqin; Lin, Qi
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2040
• a: 7.261 Å
• b: 10.749 Å
• c: 11.075 Å
• α: 68.967 ± 0.007°
• β: 77.087 ± 0.008°
• γ: 76.293 ± 0.008°
• Cell volume: 774.63 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No