Information card for entry 4132814

Structure parameters

• Formula: C34 H40 Cl6 Mn2 N2 O12
• Calculated formula: C33.9984 H39.996 Cl6 Mn2 N2 O12
• Title of publication: Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.
• Authors of publication: Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 36
• Pages of publication: 11444 - 11453
• a: 14.0315 ± 0.0012 Å
• b: 14.0315 ± 0.0012 Å
• c: 10.2484 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1747.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 6
• Space group number: 162
• Hermann-Mauguin space group symbol: P -3 1 m
• Hall space group symbol: -P 3 2
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No