Information card for entry 7220239

Structure parameters

• Formula: C14 H16 N2 Ni O8
• Calculated formula: C14 H16 N2 Ni O8
• SMILES: c1(cc[n]2[Ni]3([OH2])([n]4c(C[OH]3)cc(cc4)C(=O)[O-])([OH]Cc2c1)[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: 7.1353 ± 0.0004 Å
• b: 13.2866 ± 0.0008 Å
• c: 16.8095 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1593.61 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No