Information card for entry 2229699

Structure parameters

• Chemical name: Bis(acetato-κ^2^<i>O</i>,<i>O</i>')[2,6-bis(1<i>H</i>-pyrazol-3-yl- κ<i>N</i>^2^)pyridine-κ<i>N</i>]manganese(II)
• Formula: C15 H15 Mn N5 O4
• Calculated formula: C15 H15 Mn N5 O4
• SMILES: [Mn]1234([n]5[nH]ccc5c5[n]1c(ccc5)c1[n]2[nH]cc1)([O]=C(C)O3)[O]=C(C)O4
• Title of publication: Bis(acetato-κ^2^<i>O</i>,<i>O</i>')[2,6-bis(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]manganese(II)
• Authors of publication: Yu, Fan; Li, Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m502
• a: 8.2386 ± 0.0016 Å
• b: 9.4324 ± 0.0019 Å
• c: 11.081 ± 0.002 Å
• α: 98.32 ± 0.03°
• β: 95.01 ± 0.03°
• γ: 106.11 ± 0.03°
• Cell volume: 811.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes