Information card for entry 2229476

Structure parameters

• Chemical name: Azido{4,4'-dibromo-2,2'-[ethane-1,2- diylbis(nitrilomethanylylidene)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)
• Formula: C16 H12 Br2 Mn N5 O2
• Calculated formula: C16 H12 Br2 Mn N5 O2
• SMILES: c12ccc(cc2C=[N]2[Mn]3([N](CC2)=Cc2cc(Br)ccc2O3)(N=N#N)O1)Br
• Title of publication: Azido{4,4'-dibromo-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)
• Authors of publication: Liu, Yingxia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m322
• a: 8.7068 ± 0.0017 Å
• b: 15.269 ± 0.003 Å
• c: 13.684 ± 0.003 Å
• α: 90°
• β: 107.47 ± 0.03°
• γ: 90°
• Cell volume: 1735.3 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes