Information card for entry 2238814

Structure parameters

• Chemical name: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)
• Formula: C22 H22 Mn N2 O4
• Calculated formula: C22 H22 Mn N2 O4
• SMILES: CC1=CC(C)=[O][Mn]23(O1)([n]1cccc4c1c1c(ccc[n]31)cc4)OC(=CC(C)=[O]2)C
• Title of publication: Redetermination of bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)
• Authors of publication: Suckert, Stefan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: m620
• a: 15.8353 ± 0.0007 Å
• b: 10.226 ± 0.0004 Å
• c: 12.6532 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.96 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No