Information card for entry 7220245

Structure parameters

• Formula: C14 H16 Cu N2 O8
• Calculated formula: C14 H16 Cu N2 O8
• SMILES: C1c2cc(cc[n]2[Cu]2([n]3c(C[OH]2)cc(cc3)C(=O)[O-])([OH]1)([OH2])[OH2])C(=O)[O-]
• Title of publication: Isolation of first row transition metal‒carboxylate zwitterions
• Authors of publication: Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.9918 ± 0.0005 Å
• b: 13.1602 ± 0.0009 Å
• c: 17.1546 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1578.45 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No