Information card for entry 4345836

Structure parameters

• Formula: C36 H36 Cl Cu2 Mn N7 O10
• Calculated formula: C36 H36 Cl Cu2 Mn N7 O10
• SMILES: [Cu]123[N]4=C(c5c(cccc5)[O]2[Mn]2([O]5[Cu]67[N](=C(c8c5cccc8)C)CCC[N]6=Cc5ccccc5[O]27)(N=N#N)([OH2])[O]3c2ccccc2C=[N]1CCC4)C.[O-]Cl(=O)(=O)=O.O
• 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: 25.26 ± 0.005 Å
• b: 10.146 ± 0.002 Å
• c: 15.128 ± 0.002 Å
• α: 90°
• β: 95.317 ± 0.014°
• γ: 90°
• Cell volume: 3860.4 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No