Information card for entry 4133664

Structure parameters

• Formula: C74 H72 N6 O12 Zn2
• Calculated formula: C66 H54 N4 O10 Zn2
• Title of publication: Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.
• Authors of publication: Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 29
• Pages of publication: 11594 - 11602
• a: 21.714 ± 0.002 Å
• b: 10.0036 ± 0.001 Å
• c: 15.182 ± 0.0016 Å
• α: 90°
• β: 99.158 ± 0.003°
• γ: 90°
• Cell volume: 3255.8 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No