Information card for entry 7032996

Structure parameters

• Formula: C17 H19 Cu N3 O2
• Calculated formula: C17 H19 Cu N3 O2
• SMILES: [Cu]12([N](=C(c3c(O1)c1ccccc1cc3)C)CC[N]2(C)C)N=C=O
• Title of publication: Formation of a novel ferromagnetic end-to-end cyanate bridged homochiral helical copper(II) Schiff base complex via spontaneous symmetry breaking.
• Authors of publication: Bhattacharyya, Anik; Ghosh, Biswa Nath; Herrero, Santiago; Rissanen, Kari; Jiménez-Aparicio, Reyes; Chattopadhyay, Shouvik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 493 - 497
• a: 8.209 ± 0.0005 Å
• b: 9.1718 ± 0.0006 Å
• c: 20.3772 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1534.23 ± 0.19 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No