Information card for entry 4503796

Structure parameters

• Formula: C18 H24 Cl Mn N2 O7
• Calculated formula: C18 H24 Cl Mn N2 O7
• Title of publication: An Interesting Six-Connected 3D Nanowater Framework Constructed from Turbine-Type (H2O)18Clusters Based on a Mn(III) Complex
• Authors of publication: Li, Chun-Hong; Huang, Kun-Lin; Dou, Jian-Min; Chi, Ying-Nan; Xu, Yan-Qing; Shen, Long; Wang, Da-Qi; Hu, Chang-Wen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 3141
• a: 26.501 ± 0.003 Å
• b: 26.501 ± 0.003 Å
• c: 16.0276 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9748.2 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No