Information card for entry 7219636

Structure parameters

• Formula: C42 H33 Br3 Mn N3 O3
• Calculated formula: C42 H33 Br3 Mn N3 O3
• SMILES: Brc1ccc2O[Mn]34(Oc5ccc(Br)cc5C=[N]3Cc3ccccc3)(Oc3c(C=[N]4Cc4ccccc4)cc(Br)cc3)[N](Cc3ccccc3)=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: 8.246 ± 0.002 Å
• b: 12.765 ± 0.004 Å
• c: 18.256 ± 0.006 Å
• α: 70.607 ± 0.009°
• β: 84.283 ± 0.009°
• γ: 84.456 ± 0.008°
• Cell volume: 1799.5 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No