Information card for entry 7020016

Structure parameters

• Formula: C34 H32 Cu2 N10 O4 Zn
• Calculated formula: C34 H32 Cu2 N10 O4 Zn
• SMILES: [Zn]12(N=N#N)(N=N#N)([O]3c4ccccc4C=[N]4CCC[N]5=Cc6ccccc6[O]1[Cu]345)[O]1c3ccccc3C=[N]3CCC[N]4=Cc5ccccc5[O]2[Cu]134
• 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: 9.453 ± 0.005 Å
• b: 11.123 ± 0.005 Å
• c: 15.869 ± 0.005 Å
• α: 90 ± 0.005°
• β: 102.039 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1631.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No