Information card for entry 2011729

Structure parameters

• Formula: C32 H16 Cl N8 Sb
• Calculated formula: C32 H16 Cl N8 Sb
• SMILES: [Sb]123(Cl)[N]4C5=NC6=[N]3C(=NC3=[N]2C(=NC2=[N]1C(=NC=4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61
• Title of publication: [Phthalocyaninato(2‒)]antimony(III) chloride
• Authors of publication: Janczak, Jan; Kubiak, Ryszard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 55 - 57
• a: 9.56 ± 0.002 Å
• b: 10.806 ± 0.002 Å
• c: 12.462 ± 0.002 Å
• α: 91.96 ± 0.03°
• β: 96.21 ± 0.03°
• γ: 92.37 ± 0.03°
• Cell volume: 1277.8 ± 0.4 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: 0.1174
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes