Information card for entry 2204991

Structure parameters

• Common name: Aqua[bis(5-bromosalicylidene)ethylenediaminato]chloromanganese(III)
• Chemical name: aqua{4,4'-dibromo-2,2'-[1,2- ethanediylbis(nitrilomethylidyne)]diphenolato]chloromanganese(III)), [Mn(C~16~H~12~Br~2~N~2~O~2~)Cl(H~2~O)]
• Formula: C16 H14 Br2 Cl Mn N2 O3
• Calculated formula: C16 H14 Br2 Cl Mn N2 O3
• SMILES: Brc1ccc2O[Mn]34(Cl)(Oc5c(C=[N]4CC[N]3=Cc2c1)cc(Br)cc5)[OH2]
• Title of publication: Aqua[bis(5-bromosalicylidene)ethylenediaminato]chloromanganese(III)
• Authors of publication: Dang, Li-Long; Huo, Yong-Qian; Wang, Wei; Li, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m332 - m334
• a: 12.2994 ± 0.0018 Å
• b: 11.6445 ± 0.0017 Å
• c: 13.66 ± 0.002 Å
• α: 90°
• β: 113.909 ± 0.002°
• γ: 90°
• Cell volume: 1788.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes