Information card for entry 2013290

Structure parameters

• Common name: dichloro tin phthalocyanine
• Chemical name: dichloro(phthalocyaninato(2-))tin(IV)
• Formula: C32 H16 Cl2 N8 Sn
• Calculated formula: C32 H16 Cl2 N8 Sn
• SMILES: c12c3ccccc3c3=Nc4n5[Sn]6(Cl)([n]23)(Cl)[n]2c(=Nc5c3c4cccc3)c3ccccc3c2N=c2n6c(=N1)c1c2cccc1
• Title of publication: Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)
• Authors of publication: Jan Janczak; Ryszard Kubiak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m237 - m240
• a: 7.363 ± 0.001 Å
• b: 8.676 ± 0.002 Å
• c: 11.048 ± 0.002 Å
• α: 74.21 ± 0.03°
• β: 80.33 ± 0.03°
• γ: 85.47 ± 0.03°
• Cell volume: 669.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No