Information card for entry 4322633

Structure parameters

• Common name: Bis(ferrocenecarboxylato)phthalocyaninato Silicon(IV)
• Formula: C56 H36 Cl6 Fe2 N8 O4 Si
• Calculated formula: C56 H35.75 Cl6 Fe2 N8 O4 Si
• Title of publication: Structure, Electrochemistry, and Properties of Bis(ferrocenecarboxylato)(phthalocyaninato)silicon(IV) and Its Implications for (Si(Pc)O)n Polymer Chemistry
• Authors of publication: Jack Silver; Jose L. Sosa-Sanchez; Christopher S. Frampton
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 411 - 417
• a: 10.417 ± 0.006 Å
• b: 21.046 ± 0.009 Å
• c: 23.13 ± 0.006 Å
• α: 90°
• β: 94.22 ± 0.04°
• γ: 90°
• Cell volume: 5057 ± 4 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.0845
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No