Information card for entry 4337267

Structure parameters

• Common name: bis(di(2-pyridyl)amine-N,N')-bis(μ~2~-tolfenamato-O,O')-bis(tolfenamato-O,O')-di-manganese(II)
• Chemical name: bis(di(2-pyridyl)amine-N,N')-bis(μ~2~-2-[(3-chloro-2-methylphenyl)amino]benzoato-O,O')-bis(2-[(3-chloro-2-methylphenyl)amino]benzoato-O,O')-di-manganese(II)
• Formula: C76 H62 Cl4 Mn2 N10 O8
• Calculated formula: C76 H62 Cl4 Mn2 N10 O8
• SMILES: C1(c2ccccc2Nc2c(c(ccc2)Cl)C)=[O][Mn]23([n]4ccccc4Nc4[n]2cccc4)(O1)[O]=C(O[Mn]12([n]4ccccc4Nc4[n]1cccc4)([O]=C(c1ccccc1Nc1c(c(ccc1)Cl)C)O2)[O]=C(O3)c1ccccc1Nc1c(c(ccc1)Cl)C)c1ccccc1Nc1c(c(ccc1)Cl)C
• 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: 14.8066 ± 0.0003 Å
• b: 11.6969 ± 0.0002 Å
• c: 20.849 ± 0.0005 Å
• α: 90°
• β: 104.966 ± 0.002°
• γ: 90°
• Cell volume: 3488.38 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No