Information card for entry 4133665

Structure parameters

• Formula: C61 H44 Cd2 N3 O11
• Calculated formula: C58 H36 Cd2 N2 O9
• 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: 11.072 ± 0.01 Å
• b: 11.414 ± 0.012 Å
• c: 22.31 ± 0.02 Å
• α: 91.12 ± 0.04°
• β: 92.52 ± 0.07°
• γ: 93.32 ± 0.04°
• Cell volume: 2811 ± 5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2664
• Weighted residual factors for all reflections included in the refinement: 0.3305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No