Information card for entry 4336415

Structure parameters

• Formula: C18 H22 Mn N5 O8
• Calculated formula: C18 H22 Mn N5 O8
• SMILES: [Mn]123(Oc4c(ncc(c4C=[N]1CC[N]2=Cc1c(cnc(c1O3)C)CO)CO)C)([OH2])ON(=O)=O
• Title of publication: Iron and Manganese Pyridoxal-Based Complexes as Fluorescent Probes for Nitrite and Nitrate Anions in Aqueous Solution
• Authors of publication: Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11778 - 11786
• a: 8.7425 ± 0.0002 Å
• b: 8.7874 ± 0.0002 Å
• c: 14.5986 ± 0.0005 Å
• α: 80.07 ± 0.001°
• β: 74.3063 ± 0.0009°
• γ: 71.5574 ± 0.0018°
• Cell volume: 1019.61 ± 0.05 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0664
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No