Information card for entry 4340704

Structure parameters

• Formula: C36 H46 Cu2 N10 O2
• Calculated formula: C36 H46 Cu2 N10 O2
• SMILES: c12c(C(=[N]3CC[N](CC)(CC)[Cu]43(O1)[N](=N#N)[Cu]13([N]4=N#N)[N](=C(c4c(ccc5ccccc45)O3)C)CC[N]1(CC)CC)C)c1c(cc2)cccc1
• Title of publication: Field-Induced Ferromagnetism and Multiferroic Behavior in End-on Pseudohalide-Bridged Dinuclear Copper(II) Complexes with Tridentate Schiff Base Blocking Ligands.
• Authors of publication: Jana, Subrata; Shaw, Bikash Kumar; Bhowmik, Prasanta; Harms, Klaus; Drew, Michael G. B.; Chattopadhyay, Shouvik; Saha, Shyamal Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8723 - 8734
• a: 8.8163 ± 0.0009 Å
• b: 9.4155 ± 0.0009 Å
• c: 12.5851 ± 0.001 Å
• α: 70.45 ± 0.008°
• β: 89.45 ± 0.008°
• γ: 68.98 ± 0.009°
• Cell volume: 911.68 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0588
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No