Information card for entry 7045410

Structure parameters

• Formula: C36 H36 Cl4 Cu2 Mn2 N4 O4
• Calculated formula: C36 H36 Cl4 Cu2 Mn2 N4 O4
• SMILES: c12ccccc1C(C)=[N]1[Cu]34[O]2[Mn]2(Cl)([O]3c3ccccc3C=[N]4CCC1)[Cl][Mn]1([O]3c4ccccc4C(C)=[N]4CCC[N]5=Cc6ccccc6[O]1[Cu]345)(Cl)[Cl]2
• Title of publication: Control of nuclearity in heterometallic Cu^II-Mn^II complexes derived from asymmetric Schiff bases: structures and magnetic properties.
• Authors of publication: Mahapatra, Prithwish; Giri, Sanjib; Drew, Michael G. B.; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3568 - 3579
• a: 9.946 ± 0.003 Å
• b: 11.53 ± 0.007 Å
• c: 11.732 ± 0.004 Å
• α: 108.443 ± 0.006°
• β: 113.238 ± 0.004°
• γ: 96.187 ± 0.006°
• Cell volume: 1130.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No