Information card for entry 7050531

Structure parameters

• Formula: C17 H20 Cu N4 O2
• Calculated formula: C17 H20 Cu N4 O2
• SMILES: [Cu]12(OC(=N[N]2=C(C=C(O1)C)C)c1ccccc1)[n]1[nH]c(cc1C)C
• Title of publication: A one-dimensional assembly of a square-planar copper(ii) complex with alternating short and long Cu?Cu distances. Metal ion spin-exchange via ?-? interactions
• Authors of publication: Das, Sunirban; Muthukumaragopal, G. P.; Pal, Satyanarayan; Pal, Samudranil
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1102
• a: 7.2563 ± 0.0013 Å
• b: 10.6168 ± 0.0016 Å
• c: 12.0608 ± 0.0019 Å
• α: 103.213 ± 0.012°
• β: 103.625 ± 0.014°
• γ: 101.443 ± 0.013°
• Cell volume: 847.3 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No