Information card for entry 7054022

Structure parameters

• Formula: C10 H16 Cu N6 O5
• Calculated formula: C10 H16 Cu N6 O5
• SMILES: c1(cc([n]([Cu]2([n]3c(cc(C)[nH]3)N)(OC(=O)C(=O)O2)[OH2])[nH]1)N)C
• 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: 19.423 ± 0.0005 Å
• b: 8.6184 ± 0.0002 Å
• c: 16.8313 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2817.48 ± 0.13 ų
• Cell temperature: 295 ± 0.2 K
• Ambient diffraction temperature: 295 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No