Information card for entry 7220223

Structure parameters

• Formula: C22 H20 I6.6 O2 S16
• Calculated formula: C22 H20 I6.5954 O2 S16
• Title of publication: A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies
• Authors of publication: Pilkington, Melanie; Wang, Qiang; Zecchini, Matteo; Wallis, John D.; Wu, Yiliang; Rawson, Jeremy Michael
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.9246 ± 0.0004 Å
• b: 8.6449 ± 0.0004 Å
• c: 16.2901 ± 0.0008 Å
• α: 87.891 ± 0.002°
• β: 86.545 ± 0.002°
• γ: 76.982 ± 0.002°
• Cell volume: 1085.02 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0806
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No