Information card for entry 4320341

Structure parameters

• Chemical name: Phthalocyaninato bis(chloro)silicon(IV)
• Formula: C32 H16 Cl2 N8 Si
• Calculated formula: C32 H16 Cl2 N8 Si
• SMILES: c12=Nc3n4[Si]56([n]2c(c2c1cccc2)N=c1n5c(=Nc2[n]6c(=Nc4c4ccccc34)c3c2cccc3)c2c1cccc2)(Cl)Cl
• Title of publication: Novel Seven Coordination Geometry of Sn(IV): Crystal Structures of Phthalocyaninato Bis(undecylcarboxylato)Sn(IV), Its Si(IV) Analogue, and Phthalocyaninato Bis(chloro)silicon(IV). The Electrochemistry of the Si(IV) Analogue and Related Compounds
• Authors of publication: Jack Silver; Christopher S. Frampton; George R. Fern; Dominic A. Davies; John R. Miller; Jose L. Sosa-Sanchez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5434 - 5439
• a: 8.997 ± 0.002 Å
• b: 14.582 ± 0.004 Å
• c: 10.129 ± 0.004 Å
• α: 90°
• β: 97.74 ± 0.03°
• γ: 90°
• Cell volume: 1316.8 ± 0.7 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No