Information card for entry 4511068

Structure parameters

• Formula: C10 H9 Mn N3 O5
• Calculated formula: C10 H9 Mn N3 O5
• Title of publication: Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties
• Authors of publication: Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1481
• a: 18.8138 ± 0.0013 Å
• b: 11.1016 ± 0.0008 Å
• c: 12.0169 ± 0.0009 Å
• α: 90°
• β: 115.213 ± 0.001°
• γ: 90°
• Cell volume: 2270.8 ± 0.3 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: 0.0754
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No