Information card for entry 7115211

Structure parameters

• Formula: C10 H24 Br5 Mn O7 Tl
• Calculated formula: C10 H21 Br5 Mn O7 Tl
• 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: 15.879 ± 0.003 Å
• b: 10.122 ± 0.003 Å
• c: 7.1085 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1142.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections: 0.1471
• Weighted residual factors for significantly intense reflections: 0.1317
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No