Information card for entry 4325418

Structure parameters

• Formula: C15 H21 Cu O2 n5
• Calculated formula: C15 H21 Cu N5 O2
• SMILES: c12c(cccc1C=[N]1CC[N]3(CCCCC3)[Cu]1(O2)N=N#N)OC
• Title of publication: Syntheses, Structures, and Magnetic Properties of Three One-Dimensional End-to-End Azide/Cyanate-Bridged Copper(II) Compounds Exhibiting Ferromagnetic Interaction: new Type of Solid State Isomerism
• Authors of publication: Sujit Sasmal; Sohini Sarkar; Núria Aliaga-Alcalde; Sasankasekhar Mohanta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5687 - 5695
• a: 13.0218 ± 0.0006 Å
• b: 9.6216 ± 0.0005 Å
• c: 25.4583 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3189.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No