Information card for entry 4119869

Structure parameters

• Common name: Mn2(DSBDC)
• Formula: C7.33 H8.78 Mn N1.11 O3.31 S
• Calculated formula: C7.34 H8.68 Mn N1.17 O3.295 S
• Title of publication: Mn2(2,5-disulfhydrylbenzene-1,4-dicarboxylate): A Microporous Metal-Organic Framework with Infinite (-Mn-S-)\ιnftyChains and High Intrinsic Charge Mobility
• Authors of publication: Lei Sun; Tomoyo Miyakai; Shu Seki; Mircea Dincă
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8185 - 8188
• a: 26.8784 ± 0.0009 Å
• b: 26.8784 ± 0.0009 Å
• c: 15.4839 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9687.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No