Information card for entry 4345497

Structure parameters

• Formula: C14 H13 Cu N2 O6.5
• Calculated formula: C14 H13 Cu N2 O6.5
• SMILES: [Cu]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)[OH]Cc1[n]4c(ccc1)C[OH]2.O
• Title of publication: Field Supported Slow Magnetic Relaxation in a Mononuclear Cu(II) Complex.
• Authors of publication: Boča, Roman; Rajnák, Cyril; Titiš, Ján; Valigura, Dušan
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1478 - 1482
• a: 8.6646 ± 0.0003 Å
• b: 22.9611 ± 0.0007 Å
• c: 14.5027 ± 0.0005 Å
• α: 90°
• β: 102.904 ± 0.003°
• γ: 90°
• Cell volume: 2812.43 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0302
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No