Information card for entry 4348042

Structure parameters

• Common name: jaa20_0m
• Chemical name: K2[(C13H9NO8)Mn(H2O)] H2O
• Formula: C13 H13 K2 Mn N O10
• Calculated formula: C13 H13 K2 Mn N O10
• SMILES: C1(=O)C2(C(=O)O[Mn]34([n]5c2cccc5C(C(=O)O3)(C(=O)O4)C)(O1)[OH2])C.[K+].[K+].O
• Title of publication: Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.
• Authors of publication: Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7527 - 7534
• a: 7.322 ± 0.0002 Å
• b: 10.99 ± 0.0003 Å
• c: 20.214 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1626.6 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No