Information card for entry 4132816

Structure parameters

• Formula: C36 H42 Cl6 N6 O18 Zn3
• Calculated formula: C36 H42 Cl6 N6 O18 Zn3
• 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: 13.729 ± 0.002 Å
• b: 13.729 ± 0.002 Å
• c: 9.58 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1563.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.1695
• Residual factor for significantly intense reflections: 0.1393
• Weighted residual factors for significantly intense reflections: 0.4038
• Weighted residual factors for all reflections included in the refinement: 0.4215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.711
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No