Information card for entry 7243047

Structure parameters

• Formula: C52 H28 Mn3 N6 O12
• Calculated formula: C52 H28 Mn3 N6 O12
• Title of publication: Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands
• Authors of publication: Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 29
• Pages of publication: 5106 - 5115
• a: 9.633 ± 0.0006 Å
• b: 25.6233 ± 0.0011 Å
• c: 10.1786 ± 0.0006 Å
• α: 90°
• β: 101.978 ± 0.005°
• γ: 90°
• Cell volume: 2457.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No