Information card for entry 4105879

Structure parameters

• Formula: C30 H23 N2 O2.5 Si
• Calculated formula: C30 H23 N2 O2.5 Si
• Title of publication: Structural Interconversion and Regulation of Optical Properties of Stable Hypercoordinate Dipyrrin-Silicon Complexes
• Authors of publication: Naoya Sakamoto; Chusaku Ikeda; Masaki Yamamura; Tatsuya Nabeshima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4726 - 4729
• a: 10.6726 ± 0.0012 Å
• b: 10.9105 ± 0.0009 Å
• c: 11.2603 ± 0.0012 Å
• α: 65.661 ± 0.002°
• β: 76.871 ± 0.003°
• γ: 87.781 ± 0.003°
• Cell volume: 1161.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No