Information card for entry 7702977

Structure parameters

• Formula: C82 H78 Cl2 Cu4 Mn2 N8 O26
• Calculated formula: C82 H78 Cl2 Cu4 Mn2 N8 O26
• 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: 15.56 ± 0.002 Å
• b: 8.5983 ± 0.0013 Å
• c: 31.676 ± 0.005 Å
• α: 90°
• β: 103.136 ± 0.003°
• γ: 90°
• Cell volume: 4127 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No