Information card for entry 7115212

Structure parameters

• Formula: C10 H24 Br2 Mn O7
• Calculated formula: C10 H24 Br2 Mn O7
• SMILES: [OH2][Mn]1234([O]5CC[O]1CC[O]2CC[O]4CC[O]3CC5)[OH2].[Br-].[Br-]
• Title of publication: Seven-coordinate Mn2+ ions in [Mn(15-crown-5)(H2O)2]2+ as luminescent probes for dynamic supramolecular events†
• Authors of publication: Reid, Howard O. N.; Kahwa, Ishenkumba A.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1565
• a: 13.6981 ± 0.0008 Å
• b: 15.8731 ± 0.0007 Å
• c: 7.782 ± 0.0005 Å
• α: 90°
• β: 97.946 ± 0.004°
• γ: 90°
• Cell volume: 1675.8 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0257
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for all reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.0693
• Goodness-of-fit parameter for all reflections: 1.131
• Goodness-of-fit parameter for significantly intense reflections: 1.142
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No