Information card for entry 2014215

Structure parameters

• Formula: C32 H28 Mn2 N6 O8
• Calculated formula: C32 H28 Mn2 N6 O8
• SMILES: c12[n]3c(C(=O)O[Mn]43([n]3ccccc3)([n]3ccccc3)O[Mn]3(O1)([n]1c(cccc1C(=O)O3)O4)([n]1ccccc1)[n]1ccccc1)ccc2.O
• Title of publication: Bis(μ-6-hydroxypicolinato)-μ-oxo-bis[dipyridinemanganese(III)] monohydrate
• Authors of publication: Bian, Guo-Qing; Kuroda-Sowa, Takayoshi; Konaka, Hisashi; Maekawa, Masahiko; Munakata, Megumu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m338 - m340
• a: 13.606 ± 0.008 Å
• b: 16.379 ± 0.009 Å
• c: 14.289 ± 0.009 Å
• α: 90°
• β: 104.118 ± 0.007°
• γ: 90°
• Cell volume: 3088 ± 3 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes