Information card for entry 4337270

Structure parameters

• Common name: aqua-(1,10-phenanthroline-N,N')-(tolfenamato-O,O')-(tolfenamato-O)-manganese(II)
• Chemical name: aqua-(1,10-phenanthroline-N,N')-(2-[(3-chloro-2-methylphenyl)amino]benzoato- O,O')-(2-[(3-chloro-2-methylphenyl)amino]benzoato-O)-manganese(II)
• Formula: C40 H32 Cl2 Mn N4 O5
• Calculated formula: C40 H32 Cl2 Mn N4 O5
• SMILES: [Mn]12([O]=C(O1)c1ccccc1Nc1c(c(Cl)ccc1)C)(OC(=O)c1ccccc1Nc1c(c(Cl)ccc1)C)([OH2])[n]1cccc3c1c1[n]2cccc1cc3
• Title of publication: Manganese(II) Complexes with the Non-steroidal Anti-Inflammatory Drug Tolfenamic Acid: Structure and Biological Perspectives.
• Authors of publication: Zampakou, Marianthi; Rizeq, Natalia; Tangoulis, Vassilis; Papadopoulos, Athanasios N.; Perdih, Franc; Turel, Iztok; Psomas, George
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2040 - 2052
• a: 9.5991 ± 0.0004 Å
• b: 12.1813 ± 0.0004 Å
• c: 15.7068 ± 0.0006 Å
• α: 96.858 ± 0.003°
• β: 96.597 ± 0.003°
• γ: 97.584 ± 0.003°
• Cell volume: 1791.5 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0968
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No