Information card for entry 7002359

Structure parameters

• Formula: C9 H11 Cu N3 O5
• Calculated formula: C9 H11 Cu N3 O5
• SMILES: [Cu]12(Oc3ccc(N(=O)=O)cc3C(=O)N1CC[NH2]2)[OH2]
• Title of publication: Unusual metal coordination chemistry from an amino-amide derivative of 4-nitrophenol, a surprising ligand
• Authors of publication: McGinley, John; McKee, Vickie; Toftlund, Hans; Walsh, John M. D.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8406 - 8412
• a: 13.5511 ± 0.0006 Å
• b: 10.4268 ± 0.0004 Å
• c: 14.7843 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2088.94 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No