Information card for entry 7220237

Structure parameters

• Formula: C14 H20 N2 O10 Zn
• Calculated formula: C14 H20 N2 O10 Zn
• SMILES: c1c(c[n]2[Zn]3([OH2])([n]4c(C[OH]3)ccc(c4)C(=O)[O-])([OH]Cc2c1)[OH2])C(=O)[O-].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: 13.6211 ± 0.0006 Å
• b: 7.7315 ± 0.0004 Å
• c: 16.8791 ± 0.0008 Å
• α: 90°
• β: 103.779 ± 0.001°
• γ: 90°
• Cell volume: 1726.41 ± 0.14 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: 0.0279
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No