Information card for entry 7220248

Structure parameters

• Formula: C26 H24 N2 O8 Zn
• Calculated formula: C26 H24 N2 O8 Zn
• SMILES: C1c2cc(cc[n]2[Zn]2([OH2])([OH2])([n]3c(C[OH]2)cc(cc3)c2cccc(c2)C(=O)[O-])[OH]1)c1cccc(c1)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: 25.0244 ± 0.0009 Å
• b: 7.5228 ± 0.0003 Å
• c: 12.9729 ± 0.0005 Å
• α: 90°
• β: 107.786 ± 0.0007°
• γ: 90°
• Cell volume: 2325.47 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No