Information card for entry 7220251

Structure parameters

• Formula: C26 H24 N2 Ni O8
• Calculated formula: C26 H24 N2 Ni O8
• SMILES: C1c2cc(cc[n]2[Ni]2([OH]1)([OH2])([n]1c(C[OH]2)cc(cc1)c1cccc(c1)C(=O)[O-])[OH2])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: 24.917 ± 0.004 Å
• b: 7.387 ± 0.0011 Å
• c: 12.944 ± 0.002 Å
• α: 90°
• β: 107.482 ± 0.004°
• γ: 90°
• Cell volume: 2272.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.121
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No