Information card for entry 7028548

Structure parameters

• Formula: C36 H32 Cu2 Mn N6 O6
• Calculated formula: C36 H32 Cu2 Mn N6 O6
• SMILES: c12ccccc1C=[N]1[Cu]34[O]2[Mn]2([O]5[Cu]67[N](=Cc8c5cccc8)CCC[N]6=Cc5c(cccc5)[O]27)(N=C=O)(N=C=O)[O]4c2ccccc2C=[N]3CCC1
• 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: 10.0774 ± 0.0017 Å
• b: 11.887 ± 0.002 Å
• c: 13.945 ± 0.002 Å
• α: 92.246 ± 0.002°
• β: 100.84 ± 0.002°
• γ: 91.095 ± 0.002°
• Cell volume: 1638.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No