Information card for entry 7224250

Structure parameters

• Formula: C16 H17 Cu N3 O2
• Calculated formula: C16 H17 Cu N3 O2
• SMILES: [Cu]12([N](CC[N]2(C)C)=Cc2c(O1)ccc1ccccc21)N=C=O
• Title of publication: Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain
• Authors of publication: shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.032 ± 0.012 Å
• b: 7.827 ± 0.014 Å
• c: 27.76 ± 0.05 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1528 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No