Information card for entry 7238548

Structure parameters

• Common name: MgTIPSTEP-Ph
• Chemical name: DiphenylethynylBistriisopropylsilylethynelPorphyrinMg
• Formula: C60 H68 Mg N4 O2 Si2
• Calculated formula: C60 H68 Mg N4 O2 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: 10.7018 ± 0.0002 Å
• b: 16.4164 ± 0.0003 Å
• c: 16.4397 ± 0.0003 Å
• α: 102.654 ± 0.001°
• β: 98.991 ± 0.001°
• γ: 95.304 ± 0.001°
• Cell volume: 2759.28 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.2162
• Residual factor for significantly intense reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.3153
• Weighted residual factors for all reflections included in the refinement: 0.4209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No