Information card for entry 1563893

Structure parameters

• Formula: C93 H73 Cl2 Mn6 N13 O19.5
• Calculated formula: C93 H73 Cl2 Mn6 N13 O19.5
• 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: 13.6684 ± 0.0011 Å
• b: 16.8886 ± 0.0014 Å
• c: 21.082 ± 0.002 Å
• α: 95.376 ± 0.005°
• β: 100.337 ± 0.004°
• γ: 103.995 ± 0.004°
• Cell volume: 4597.3 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No