Information card for entry 2006416

Structure parameters

• Formula: C32 H16 I2 N8 Sn
• Calculated formula: C32 H16 I2 N8 Sn
• SMILES: c12c3ccccc3c3=Nc4n5[Sn]6(I)([n]23)(I)[n]2c(=Nc5c3c4cccc3)c3ccccc3c2N=c2n6c(=N1)c1c2cccc1
• Title of publication: Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV)
• Authors of publication: Ejsmont, Krzysztof; Kubiak, Ryszard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1051 - 1054
• a: 7.618 ± 0.002 Å
• b: 8.551 ± 0.002 Å
• c: 11.602 ± 0.002 Å
• α: 73.34 ± 0.03°
• β: 77.2 ± 0.03°
• γ: 87.05 ± 0.03°
• Cell volume: 706 ± 0.3 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: 0.0436
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No