Information card for entry 7028549

Structure parameters

• Formula: C34 H32 Cu2 Mn N6 O10
• Calculated formula: C34 H32 Cu2 Mn N6 O10
• SMILES: c12c(cccc2)C=[N]2CCC[N]3[Cu]452[O]1[Mn]12([O]6c7ccccc7C=[N]7CCC[N]8=Cc9c(cccc9)[O]1[Cu]678ON(=[O]2)=O)([O]5c1ccccc1C=3)ON(=[O]4)=O
• Title of publication: Trinuclear heterometallic Cu(II)-Mn(II) complexes of a salen type Schiff base ligand: anion dependent variation of phenoxido bridging angles and magnetic coupling.
• Authors of publication: Seth, Piya; Ghosh, Soumavo; Figuerola, Albert; Ghosh, Asutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 990 - 998
• a: 9.135 ± 0.005 Å
• b: 11.609 ± 0.005 Å
• c: 16.358 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.173 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1707.5 ± 1.3 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: 0.0778
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No