Information card for entry 2206988

Structure parameters

• Common name: antimonium phthalocyanine
• Chemical name: Bis{[phthalocyaninato(2-)]antimony(III)} tetradecaiodotetraantimony(III)
• Formula: C64 H32 I14 N16 Sb6
• Calculated formula: C64 H32 I14 N16 Sb6
• SMILES: c12=Nc3[n]4c(=Nc5n6c(N=c7[n]8c(N=c(c9c1cccc9)n2[Sb]468)c1ccccc71)c1ccccc51)c1ccccc31.I[Sb](I)I.[I-].I[Sb](I)I
• Title of publication: Bis{[phthalocyaninato(2‒)]antimony(III)} tetradecaiodotetraantimonate(III)
• Authors of publication: Genivaldo Júlio Perpétuo; Jan Janczak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2003 - m2005
• a: 25.179 ± 0.004 Å
• b: 13.822 ± 0.003 Å
• c: 24.112 ± 0.004 Å
• α: 90°
• β: 99.58 ± 0.01°
• γ: 90°
• Cell volume: 8275 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes