Information card for entry 7220246

Structure parameters

• Formula: C14 H13 Cl Cu N2 O6
• Calculated formula: C14 H13 Cl Cu N2 O6
• SMILES: [Cu]12(Cl)([OH]Cc3[n]1cc(cc3)C(=O)[O-])[OH]Cc1[n]2cc(cc1)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: 7.5935 ± 0.0003 Å
• b: 7.7855 ± 0.0004 Å
• c: 14.672 ± 0.0007 Å
• α: 83.035 ± 0.001°
• β: 86.383 ± 0.001°
• γ: 61.421 ± 0.001°
• Cell volume: 756.08 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No