Information card for entry 8104638

Structure parameters

• Chemical name: 6-chloropyridine-2-carboxylic acid Copper (II)
• Formula: C12 H8 Cl2 Cu N2 O5
• Calculated formula: C12 H8 Cl2 Cu N2 O5
• SMILES: [Cu]12(OC(=O)c3[n]1c(Cl)ccc3)(OC(=O)c1[n]2c(Cl)ccc1)[OH2]
• Title of publication: The crystal structure of aqua-bis(6-chloropicolinato-κ2 N,O)copper(II), C12H8Cl2N2O5Cu
• Authors of publication: Zhang, Zhongyu; Tong, Mingqiong; Liu, Yanling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 971 - 972
• a: 6.8 ± 0.002 Å
• b: 9.086 ± 0.003 Å
• c: 11.363 ± 0.004 Å
• α: 86.701 ± 0.006°
• β: 84.83 ± 0.005°
• γ: 77.353 ± 0.005°
• Cell volume: 681.7 ± 0.4 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: 0.0292
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0655
• 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