Information card for entry 2200051

Structure parameters

• Chemical name: Diaqua(1,4,7,10,14-pentaoxacyclopentadecane)manganese(II) dibromide
• Formula: C10 H24 Br2 Mn O7
• Calculated formula: C10 H24 Br2 Mn O7
• SMILES: [OH2][Mn]1234([OH2])[O]5CC[O]2CC[O]3CC[O]4CC[O]1CC5.[Br-].[Br-]
• Title of publication: A linear supramolecular array of {[Mn(H~2~O)~2~(15-crown-5)]Br~2~}~<i>n~</i>
• Authors of publication: Reid, Howard O. N.; Kahwa, Ishenkumba A.; Mague, Joel T.; McPherson, Gary L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: m3 - m4
• a: 13.687 ± 0.002 Å
• b: 15.856 ± 0.001 Å
• c: 7.7761 ± 0.0009 Å
• α: 90 ± 0.007°
• β: 97.936 ± 0.009°
• γ: 90 ± 0.007°
• Cell volume: 1671.4 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No