Information card for entry 7045411

Structure parameters

• Formula: C44 H48 Cl2 Cu2 Mn N8 O4
• Calculated formula: C44 H48 Cl2 Cu2 Mn N8 O4
• SMILES: c12ccccc1C(C)=[N]1[Cu]3([N](CCC1)=Cc1ccccc1O3)[O]2[Mn](Cl)([O]1c2ccccc2C(C)=[N]2CCC[N]3=Cc4ccccc4O[Cu]123)Cl.N#CC.N#CC.N#CC.N#CC
• 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: 27.37 ± 0.005 Å
• b: 10.066 ± 0.005 Å
• c: 19.407 ± 0.005 Å
• α: 90°
• β: 118.944 ± 0.005°
• γ: 90°
• Cell volume: 4679 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No