Information card for entry 4120256

Structure parameters

• Common name: ZCl
• Formula: C36 H22.25 Cl11.75 N4 Zn
• Calculated formula: C36 H22.2528 Cl11.7472 N4 Zn
• Title of publication: Efficient Energy Sensitization of C60 and Application to Organic Photovoltaics
• Authors of publication: Cong Trinh; Kent O. Kirlikovali; Andrew N. Bartynski; Christopher J. Tassone; Michael F. Toney; George F. Burkhard; Michael D. McGehee; Peter I. Djurovich; Mark E. Thompson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11920 - 11928
• a: 8.4166 ± 0.0004 Å
• b: 23.9579 ± 0.001 Å
• c: 20.3078 ± 0.0009 Å
• α: 90°
• β: 101.433 ± 0.001°
• γ: 90°
• Cell volume: 4013.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No