Information card for entry 2215639

Structure parameters

• Chemical name: Diaquabromido[N,N'-bis(2-pyridylmethylidene)cyclohexane-1,2- diamine]manganese(II) bromide dibromido[N,N'-bis(2-pyridylmethylidene)cyclohexane-1,2-diamine]manganese(II)
• Formula: C36 H44 Br4 Mn2 N8 O2
• Calculated formula: C36 H44 Br4 Mn2 N8 O2
• SMILES: [Mn]123(Br)(Br)[n]4ccccc4C=[N]1[C@@H]1CCCC[C@H]1[N]2=Cc1[n]3cccc1.[Mn]123(Br)([n]4ccccc4C=[N]1[C@@H]1CCCC[C@H]1[N]2=Cc1[n]3cccc1)([OH2])[OH2].[Br-].[Mn]123(Br)(Br)[n]4ccccc4C=[N]1[C@H]1CCCC[C@@H]1[N]2=Cc1[n]3cccc1.[Mn]123(Br)([n]4ccccc4C=[N]1[C@H]1CCCC[C@@H]1[N]2=Cc1[n]3cccc1)([OH2])[OH2].[Br-]
• Title of publication: Diaquabromido[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylidene)cyclohexane-1,2-diamine]manganese(II) bromide dibromido[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylidene)cyclohexane-1,2-diamine]manganese(II)
• Authors of publication: Hwang, In-Chul; Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2465 - m2465
• a: 11.8283 ± 0.0009 Å
• b: 12.4842 ± 0.0009 Å
• c: 14.134 ± 0.001 Å
• α: 97.971 ± 0.001°
• β: 91.017 ± 0.001°
• γ: 98.036 ± 0.001°
• Cell volume: 2045.2 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes