Information card for entry 1563895

Structure parameters

• Formula: C29 H30 Mn O7
• Calculated formula: C29 H30 Mn O7
• Title of publication: Manganese(II) complexes of tolfenamic acid or naproxen in polymeric structures or encapsulated in [15-MC-5] manganese(III) metallacrowns: Structure and biological activity
• Authors of publication: Tarushi, Alketa; Zampakou, Marianthi; Perontsis, Spyros; Lafazanis, Konstantinos; Pantazaki, Anastasia A.; Hatzidimitriou, Antonios G.; Geromichalos, George D.; Psomas, George
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 579 - 592
• a: 12.6469 ± 0.0007 Å
• b: 7.5803 ± 0.0004 Å
• c: 14.6103 ± 0.0008 Å
• α: 90°
• β: 109.496 ± 0.002°
• γ: 90°
• Cell volume: 1320.34 ± 0.13 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No