Information card for entry 4135147

Structure parameters

• Formula: C62 H52 Br2 N4 Ni
• Calculated formula: C62 H52 Br2 N4 Ni
• Title of publication: Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.
• Authors of publication: Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 25.8466 ± 0.0008 Å
• b: 25.8466 ± 0.0008 Å
• c: 18.0005 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10414.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 177
• Hermann-Mauguin space group symbol: P 6 2 2
• Hall space group symbol: P 6 2
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2482
• Weighted residual factors for all reflections included in the refinement: 0.2583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No