Information card for entry 7038558

Structure parameters

• Chemical name: Mn3Br6(18-crown-6)2
• Formula: C24 H48 Br6 Mn3 O12
• Calculated formula: C24 H48 Br6 Mn3 O12
• SMILES: [Mn](Br)(Br)(Br)[Br][Mn]1234(Br)[O]5CC[O]1CCOCC[O]2CC[O]3CC[O]4CC5.[Mn]12345(Br)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: MnBr2/18-crown-6 coordination complexes showing high room temperature luminescence and quantum yield.
• Authors of publication: Hausmann, David; Kuzmanoski, Ana; Feldmann, Claus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6541 - 6547
• a: 16.802 ± 0.003 Å
• b: 10.888 ± 0.002 Å
• c: 21.772 ± 0.004 Å
• α: 90°
• β: 94.28 ± 0.03°
• γ: 90°
• Cell volume: 3971.9 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0779
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No