Information card for entry 7020015

Structure parameters

• Formula: C34 H32 Cu2 N10 O4 Zn
• Calculated formula: C34 H32 Cu2 N10 O4 Zn
• SMILES: [Zn]12(N=N#N)([O]3[Cu]45[O]2c2ccccc2C=[N]4CCC[N]5=Cc2c3cccc2)([O]2[Cu]34[O]1c1ccccc1C=[N]3CCC[N]4=Cc1c2cccc1)N=N#N
• Title of publication: An unprecedented "linear-bent" isomerism in tri-nuclear Cu(2)(II)Zn(II) complexes with a salen type di-Schiff base ligand.
• Authors of publication: Das, Lakshmi Kanta; Park, Sung-Woo; Cho, Seung Joo; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 11009 - 11017
• a: 9.888 ± 0.0003 Å
• b: 11.9657 ± 0.0003 Å
• c: 14.068 ± 0.0004 Å
• α: 86.702 ± 0.001°
• β: 77.54 ± 0.001°
• γ: 89.604 ± 0.001°
• Cell volume: 1622.56 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1285
• 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