Information card for entry 1516463

Structure parameters

• Formula: C140 H116 N12 O15 S20 Zn3
• Calculated formula: C132 H94 N12 O14 S20 Zn3
• Title of publication: Long-lived charge-separated states produced in supramolecular complexes between anionic and cationic porphyrins
• Authors of publication: Bill, Nathan L.; Ishida, Masatoshi; Kawashima, Yuki; Ohkubo, Kei; Sung, Young Mo; Lynch, Vincent M.; Lim, Jong Min; Kim, Dongho; Sessler, Jonathan L.; Fukuzumi, Shunichi
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 3888
• a: 10.7122 ± 0.0005 Å
• b: 16.4862 ± 0.0009 Å
• c: 19.402 ± 0.001 Å
• α: 101.781 ± 0.003°
• β: 102.522 ± 0.003°
• γ: 97.189 ± 0.004°
• Cell volume: 3222.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No