Information card for entry 7226968

Structure parameters

• Formula: C94 H105 Mn10 N57 O24
• Calculated formula: C94 H88 Mn10 N57 O24
• Title of publication: New structural motifs in Mn cluster chemistry from the ketone/gem-diol and bis(gem¬-diol) forms of 2,6-di-(2-pyridylcarbonyl)pyridine: {MnII4MnIII2} and {MnII4MnIII6} complexes
• Authors of publication: Giannopoulos, Dimosthenis; Cunha-Silva, Luis; Ballesteros-Garrido, Rafael; Ballesteros, Rafael; Abarca, Belén; Escuer, Albert; Stamatatos, Theocharis
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 29.294 ± 0.006 Å
• b: 28.311 ± 0.006 Å
• c: 16.462 ± 0.003 Å
• α: 90°
• β: 100.953 ± 0.007°
• γ: 90°
• Cell volume: 13404 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1555
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No