Information card for entry 7220244

Structure parameters

• Formula: C14 H15 Cl Cu N2 O7
• Calculated formula: C14 H15 Cl Cu N2 O7
• SMILES: [Cu]12(Cl)([OH]Cc3[n]1ccc(c3)C(=O)[O-])[OH]Cc1[n]2ccc(c1)C(=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: 7.7474 ± 0.0007 Å
• b: 9.0283 ± 0.0008 Å
• c: 11.6264 ± 0.001 Å
• α: 81.603 ± 0.002°
• β: 80.274 ± 0.002°
• γ: 81.512 ± 0.002°
• Cell volume: 786.61 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No