Information card for entry 4122460

Structure parameters

• Formula: C26.5 H25 N2 O0.5 S2
• Calculated formula: C26.5 H25 N2 O0.5 S2
• Title of publication: Energy Transfer on Demand: Photoswitch-Directed Behavior of Metal-Porphyrin Frameworks.
• Authors of publication: Williams, Derek E.; Rietman, Joseph A.; Maier, Josef M.; Tan, Rui; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 11886
• a: 10.3059 ± 0.0006 Å
• b: 12.9893 ± 0.0007 Å
• c: 17.987 ± 0.001 Å
• α: 90°
• β: 98.516 ± 0.001°
• γ: 90°
• Cell volume: 2381.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No