Information card for entry 4347458

Structure parameters

• Formula: C42 H53 Mn3 N8 O15
• Calculated formula: C35 H33 Mn3 N6 O11
• Title of publication: Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.
• Authors of publication: Jiang, Xiang; Liu, Cai-Ming; Kou, Hui-Zhong
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 5880 - 5885
• a: 39.196 ± 0.006 Å
• b: 39.196 ± 0.006 Å
• c: 15.796 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21017 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2568
• Weighted residual factors for all reflections included in the refinement: 0.2993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No