Information card for entry 7700397

Structure parameters

• Formula: C58 H82 Cl2 Co2 Mn4 N10 O20
• Calculated formula: C58 H82 Cl2 Co2 Mn4 N10 O20
• Title of publication: Co-existence of ferro- and antiferromagnetic interactions in a hexanuclear mixed-valence CoMnMn cluster sustained by a multidentate Schiff base ligand.
• Authors of publication: Stetsiuk, Oleh; Synytsia, Valentyn; Petrusenko, Svitlana R.; Kokozay, Vladimir N.; El-Ghayoury, Abdelkrim; Cano, Joan; Lloret, Francesc; Julve, Miguel; Fleury, Benoit; Avarvari, Narcis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 31
• Pages of publication: 11862 - 11871
• a: 8.573 ± 0.0002 Å
• b: 21.4804 ± 0.0004 Å
• c: 18.9257 ± 0.0004 Å
• α: 90°
• β: 91.632 ± 0.002°
• γ: 90°
• Cell volume: 3483.78 ± 0.13 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0337
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No