Information card for entry 7028547

Structure parameters

• Formula: C34 H32 Cu2 Mn N10 O4
• Calculated formula: C34 H32 Cu2 Mn N10 O4
• SMILES: c1cc2c([O]3[Cu]45[N](=C2)CCC[N]4=Cc2c([O]5[Mn]43(N=N#N)(N=N#N)[O]3c5ccccc5C=[N]5CCC[N]6=Cc7c([O]4[Cu]356)cccc7)cccc2)cc1
• 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: 9.453 ± 0.005 Å
• b: 11.21 ± 0.005 Å
• c: 15.89 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.832 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1648.1 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No