Information card for entry 4507338

Structure parameters

• Formula: C48 H62 Cl0 Mn22 N60 Na0 O79
• Calculated formula: C48 H54 Mn22 N60 O79
• Title of publication: Azido-Directed Formation of An Unprecedented Mn(II)-Organic Framework with Nanoscale Cubic Cage Units
• Authors of publication: Zhao, Jiong-Peng; Zhao, Ran; Song, Wei-Chao; Yang, Qian; Liu, Fu-Chen; Bu, Xian-He
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 437
• a: 20.019 ± 0.003 Å
• b: 20.019 ± 0.003 Å
• c: 18.861 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7559 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No