Information card for entry 2211401

Structure parameters

• Chemical name: μ~3~-Oxo-hexa-μ~2~-pivalato-(pivalic acid-κO)bis(pyridine- κN)trimanganese(III,III,II)
• Formula: C45 H74 Mn3 N2 O15
• Calculated formula: C45 H74 Mn3 N2 O15
• Title of publication: μ~3~-Oxo-hexa-μ~2~-pivalato-(pivalic acid-κ<i>O</i>)bis(pyridine-κ<i>N</i>)trimanganese(III,III,II)
• Authors of publication: Sarı, Musa; Poyraz, Mehmet; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3439 - m3441
• a: 27.1668 ± 0.0007 Å
• b: 19.3139 ± 0.0004 Å
• c: 22.8444 ± 0.0005 Å
• α: 90°
• β: 109.361 ± 0.002°
• γ: 90°
• Cell volume: 11308.5 ± 0.5 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: 0.1026
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes