Information card for entry 7220240

Structure parameters

• Formula: C14 H20 N2 Ni O10
• Calculated formula: C14 H20 N2 Ni O10
• SMILES: C1c2ccc(c[n]2[Ni]2([OH]1)([n]1c(C[OH]2)ccc(c1)C(=O)[O-])([OH2])[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: 13.391 ± 0.0004 Å
• b: 7.7123 ± 0.0002 Å
• c: 16.9892 ± 0.0005 Å
• α: 90°
• β: 104.456 ± 0.001°
• γ: 90°
• Cell volume: 1699.02 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No