Information card for entry 1515303

Structure parameters

• Formula: C88 H89.45 N12 O28.47 S4 Sn Zn
• Calculated formula: C88.004 H63.8447 N12.0007 O28.48 S4 Sn Zn
• Title of publication: Binary ionic porphyrin nanosheets: electronic and light-harvesting properties regulated by crystal structure.
• Authors of publication: Tian, Yongming; Beavers, Christine M.; Busani, Tito; Martin, Kathleen E.; Jacobsen, John L.; Mercado, Brandon Q.; Swartzentruber, Brian S.; van Swol, Frank; Medforth, Craig J.; Shelnutt, John A.
• Journal of publication: Nanoscale
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 1695 - 1700
• a: 17.1975 ± 0.0009 Å
• b: 22.7109 ± 0.0011 Å
• c: 23.24 ± 0.0012 Å
• α: 94.052 ± 0.003°
• β: 104.128 ± 0.003°
• γ: 106.292 ± 0.003°
• Cell volume: 8353.9 ± 0.8 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.255
• Weighted residual factors for all reflections included in the refinement: 0.2806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No