Information card for entry 7151422

Structure parameters

• Common name: 1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2- thienyl)pyrrole/toluene complex
• Formula: C63 H30 N14 S4
• Calculated formula: C63 H22 N14 S4
• Title of publication: Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest
• Authors of publication: Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 21
• Pages of publication: 3845
• a: 10.031 ± 0.003 Å
• b: 27.595 ± 0.006 Å
• c: 11.908 ± 0.005 Å
• α: 90°
• β: 124.13 ± 0.05°
• γ: 90°
• Cell volume: 2728 ± 2 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections: 1.457
• Goodness-of-fit parameter for significantly intense reflections: 1.012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No