Information card for entry 4133663

Structure parameters

• Formula: C29 H18 Cd N O6
• Calculated formula: C58 H36 Cd2 N2 O12
• 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: 10.944 ± 0.0016 Å
• b: 11.5746 ± 0.0017 Å
• c: 22.46 ± 0.003 Å
• α: 90.349 ± 0.006°
• β: 92.11 ± 0.005°
• γ: 91.978 ± 0.006°
• Cell volume: 2841.4 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.2319
• Residual factor for significantly intense reflections: 0.1951
• Weighted residual factors for significantly intense reflections: 0.4551
• Weighted residual factors for all reflections included in the refinement: 0.4754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No