Information card for entry 7702978

Structure parameters

• Formula: C48 H42 Cl2 Cu2 Mn2 N4 O10
• Calculated formula: C48 H42 Cl2 Cu2 Mn2 N4 O10
• SMILES: [Cu]1234[O]5[Mn]67([Cl][Cu]89%10[O]%11[Mn]%12%13([Cl]4)([O]%10c4c(cccc4C=[N]9CC[N]8=Cc4c%11cccc4)[O]%12C)[O]=C(c4ccccc4)O%13)([O]3c3c(cccc3C=[N]2CC[N]1=Cc1c5cccc1)[O]6C)[O]=C(c1ccccc1)O7
• Title of publication: Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O₃ donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.
• Authors of publication: Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 1276 - 1291
• a: 9.7423 ± 0.0006 Å
• b: 10.1101 ± 0.0006 Å
• c: 11.7562 ± 0.0006 Å
• α: 92.292 ± 0.003°
• β: 90.616 ± 0.002°
• γ: 92.587 ± 0.003°
• Cell volume: 1155.74 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No