Information card for entry 7204263

Structure parameters

• Chemical name: silicon phthalocyanine-di-thiophene acetic acid
• Formula: C44 H26 N8 O4 S2 Si
• Calculated formula: C44.006 H26 N8 O4 S2.006 Si
• Title of publication: Synthesis, structure and optical characterisation of silicon phthalocyanine bis-esters
• Authors of publication: Christopher Farren; Simon FitzGerald; Martin R. Bryce; Andrew Beeby; Andrei S. Batsanov
• Journal of publication: J. Chem. Soc., Perkin Trans. 2
• Year of publication: 2002
• Journal issue: 1
• Pages of publication: 59 - 66
• a: 10.078 ± 0.001 Å
• b: 22.591 ± 0.002 Å
• c: 8.243 ± 0.001 Å
• α: 90°
• β: 101.59 ± 0.01°
• γ: 90°
• Cell volume: 1838.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No