Information card for entry 2220002

Structure parameters

• Chemical name: <i>trans</i>-Bis(methanol-κO)bis(quinoline-2-carboxylato-κ^2^N,O)manganese(II)
• Formula: C22 H20 Mn N2 O6
• Calculated formula: C22 H20 Mn N2 O6
• SMILES: [Mn]12([n]3c(ccc4ccccc34)C(=O)O1)([n]1c(ccc3ccccc13)C(=O)O2)([OH]C)[OH]C
• Title of publication: <i>trans</i>-Bis(methanol-κ<i>O</i>)bis(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)manganese(II)
• Authors of publication: Dobrzyńska, Danuta; Jerzykiewicz, Lucjan B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1383 - m1384
• a: 10.596 ± 0.005 Å
• b: 7.243 ± 0.003 Å
• c: 13.534 ± 0.003 Å
• α: 90°
• β: 106.59 ± 0.04°
• γ: 90°
• Cell volume: 995.5 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes