Information card for entry 7219638

Structure parameters

• Formula: C42 H30 Br3 Cl3 Mn N3 O3
• Calculated formula: C42 H30 Br3 Cl3 Mn N3 O3
• SMILES: Brc1ccc2O[Mn]34(Oc5ccc(Br)cc5C=[N]3Cc3ccc(Cl)cc3)([N](Cc3ccc(Cl)cc3)=Cc3c(ccc(Br)c3)O4)[N](Cc3ccc(Cl)cc3)=Cc2c1
• Title of publication: Mononuclear manganese (III) complexes of bidentate NO donor Schiff base ligands: synthesis, structural characterization, magnetic and catecholase studies
• Authors of publication: Mahammad, Ali; Dutta, Arpan; Biswas, Surajit; Dolai, Malay; shaw, Bikash kumar; saha, Shyamal Kumar; Mondal, Abhishake
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.8296 ± 0.0015 Å
• b: 12.345 ± 0.002 Å
• c: 20.44 ± 0.004 Å
• α: 76.581 ± 0.005°
• β: 85.576 ± 0.006°
• γ: 70.17 ± 0.005°
• Cell volume: 2038.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No