Information card for entry 4304168

Structure parameters

• Formula: C32 H38 Mn N4 O18
• Calculated formula: C32 H38 Mn N4 O18
• SMILES: C(=O)(O)c1ccc(cc1)N(=O)=O.n1(=O)c2c(cccc2)ccc1.O[Mn]([OH2])(O)([OH2])([OH2])[OH2].O.C(=O)(c1ccc(cc1)N(=O)=O)O.c1ccc2ccccc2n1=O.O
• Title of publication: N-Oxides in Metal-Containing Multicomponent Molecular Complexes
• Authors of publication: Rupam Sarma; Anirban Karmakar; Jubaraj B. Baruah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 763 - 765
• a: 7.0862 ± 0.0002 Å
• b: 7.796 ± 0.0002 Å
• c: 17.2461 ± 0.0004 Å
• α: 82.142 ± 0.001°
• β: 78.261 ± 0.001°
• γ: 76.688 ± 0.001°
• Cell volume: 903.71 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No