Information card for entry 7025069

Structure parameters

• Formula: C33 H46 Mn3 N10 O13
• Calculated formula: C33 H46 Mn3 N10 O13
• Title of publication: Manganese clusters derived from a 2,6-diacetylpyridine dioximato ligand: structure and magnetic study
• Authors of publication: Escuer, Albert; Cordero, Beatriz; Font-Bardia, Mercé; Calvet, Teresa; Roubeau, Olivier; Teat, Simon J.; Fedi, Serena; Fabrizi de Biani, Fabrizia
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4817
• a: 11.9452 ± 0.0007 Å
• b: 13.0013 ± 0.0008 Å
• c: 14.0001 ± 0.0008 Å
• α: 111.129 ± 0.004°
• β: 90.096 ± 0.005°
• γ: 96.75 ± 0.004°
• Cell volume: 2011.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No