Information card for entry 7220241

Structure parameters

• Formula: C14 H18 Cu N4 O14
• Calculated formula: C14 H18 Cu N4 O14
• SMILES: c1(cc[n]2[Cu]3(ON(=O)=O)([n]4c(C[OH]3)cc(cc4)C(=O)O)([OH]Cc2c1)ON(=O)=O)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: 8.558 ± 0.0004 Å
• b: 10.3042 ± 0.0005 Å
• c: 12.2558 ± 0.0006 Å
• α: 90°
• β: 108.008 ± 0.001°
• γ: 90°
• Cell volume: 1027.81 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No