Information card for entry 2234280

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aquamanganese(III)]-μ-(<i>E</i>)-5-bromo- <i>N</i>-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]- 2-oxidobenzamidato] <i>N</i>,<i>N</i>-dimethylfomamide monosolvate]
• Formula: C23 H19 Br2 Mn N4 O7
• Calculated formula: C23 H19 Br2 Mn N4 O7
• SMILES: [Mn]123(Oc4ccc(Br)cc4C=[N]2c2cc(N(=O)=O)ccc2N3C(=O)c2cc(Br)ccc2O1)([OH2])[O]=C1c2cc(Br)ccc2O[Mn]23(N1c1c([N]3=Cc3c(O2)ccc(Br)c3)cc(N(=O)=O)cc1)[OH2].O=CN(C)C.O=CN(C)C
• Title of publication: <i>catena</i>-Poly[[[aquamanganese(III)]-μ-(<i>E</i>)-5-bromo-<i>N</i>-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]-2-oxidobenzamidato] <i>N</i>,<i>N</i>-dimethylfomamide monosolvate]
• Authors of publication: Farag, Abeer Mohamed; Guan, Teoh Siang; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m365 - m366
• a: 11.0746 ± 0.0006 Å
• b: 24.9781 ± 0.0013 Å
• c: 9.5563 ± 0.0005 Å
• α: 90°
• β: 114.658 ± 0.001°
• γ: 90°
• Cell volume: 2402.4 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes