Information card for entry 7228874

Structure parameters

• Formula: C42 H46 Br2 Mn3 N4 O12
• Calculated formula: C42 H46 Br2 Mn3 N4 O12
• Title of publication: Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks
• Authors of publication: Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 13.8296 ± 0.0004 Å
• b: 10.4308 ± 0.0003 Å
• c: 17.048 ± 0.0008 Å
• α: 90°
• β: 109.76 ± 0.004°
• γ: 90°
• Cell volume: 2314.43 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No