Information card for entry 7054026

Structure parameters

• Formula: C8 H10 Cu N2 O5
• Calculated formula: C8 H10 Cu N2 O5
• SMILES: c1cccc2C[NH2][Cu]3([n]12)OC(=O)C(=O)O3.O
• Title of publication: Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes
• Authors of publication: Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 4
• Pages of publication: 1611
• a: 7.1301 ± 0.0003 Å
• b: 12.8192 ± 0.0005 Å
• c: 21.3279 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1949.42 ± 0.13 ų
• Cell temperature: 295 ± 0.2 K
• Ambient diffraction temperature: 295 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No