Information card for entry 7220242

Structure parameters

• Formula: C14 H18 Cu N4 O14
• Calculated formula: C14 H18 Cu N4 O14
• SMILES: C1c2ccc(c[n]2[Cu]2([n]3c(C[OH]2)ccc(c3)C(=O)O)([OH]1)([OH2])[OH2])C(=O)O.O=N(=O)[O-].N(=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: 7.256 ± 0.006 Å
• b: 7.425 ± 0.006 Å
• c: 9.897 ± 0.008 Å
• α: 89.716 ± 0.017°
• β: 77.622 ± 0.017°
• γ: 86.15 ± 0.019°
• Cell volume: 519.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No