Information card for entry 7224249

Structure parameters

• Formula: C16 H19 Cu N5 O
• Calculated formula: C16 H19 Cu N5 O
• SMILES: [Cu]12(Oc3c4c(cccc4)ccc3C(=[N]2CC[N]1(C)C)C)N=N#N
• 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: 8.3629 ± 0.0015 Å
• b: 9.1293 ± 0.0017 Å
• c: 20.174 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No