Information card for entry 4345837

Structure parameters

• Formula: C38 H36 Cu2 Mn N6 O4 S2
• Calculated formula: C38 H36 Cu2 Mn N6 O4 S2
• SMILES: [Cu]123[O]4[Mn]5([O]6[Cu]78[O]5c5ccccc5C=[N]8CCC[N]7=C(C)c5ccccc56)(N=C=S)(N=C=S)[O]1c1ccccc1C(C)=[N]2CCC[N]3=Cc1ccccc14
• Title of publication: Subtle Structural Changes in (Cu(II)L)2Mn(II) Complexes To Induce Heterometallic Cooperative Catalytic Oxidase Activities on Phenolic Substrates (H2L = Salen Type Unsymmetrical Schiff Base).
• Authors of publication: Mahapatra, Prithwish; Ghosh, Soumavo; Giri, Sanjib; Rane, Vinayak; Kadam, Ramakant; Drew, Michael G. B.; Ghosh, Ashutosh
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5105 - 5121
• a: 13.659 ± 0.004 Å
• b: 18.556 ± 0.004 Å
• c: 15.412 ± 0.002 Å
• α: 90°
• β: 96.028 ± 0.015°
• γ: 90°
• Cell volume: 3884.7 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1919
• Residual factor for significantly intense reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No