Information card for entry 7111291

Structure parameters

• Formula: C98 H76 Mn6 N4 O26
• Calculated formula: C98 H70 Mn6 N4 O26
• Title of publication: New routes to high nuclearity cages: dimerisation of a manganese triangle via solvothermal synthesis
• Authors of publication: Low, David M.; Brechin, Euan K.; Helliwell, Madeleine; Mallah, Talal; Rivi�re, Eric; McInnes, Eric J. L.
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 2330
• a: 13.9249 ± 0.0009 Å
• b: 20.4679 ± 0.0013 Å
• c: 15.9712 ± 0.001 Å
• α: 90°
• β: 102.877 ± 0.001°
• γ: 90°
• Cell volume: 4437.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No