Information card for entry 7238547

Structure parameters

• Formula: C66 H74 Mg N6 O6 Si2
• Calculated formula: C66 H74 Mg N6 O6 Si2
• Title of publication: Soluble porphyrin donors for small molecule bulk heterojunction solar cells
• Authors of publication: Hatano, Junichi; Obata, Naoki; Yamaguchi, Shigeru; Yasuda, Takeshi; Matsuo, Yutaka
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 36
• Pages of publication: 19258
• a: 15.3573 ± 0.0003 Å
• b: 7.4862 ± 0.0001 Å
• c: 27.068 ± 0.0005 Å
• α: 90°
• β: 103.435 ± 0.001°
• γ: 90°
• Cell volume: 3026.79 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No