Information card for entry 2015433

Structure parameters

• Common name: antimonium phthalocyanine
• Chemical name: Tetrakis[phthalocyaninato(2-)antimony(III)] docosaiodohexaantimony(III)
• Formula: C128 H64 I22 N32 Sb10
• Calculated formula: C128 H64 I22 N32 Sb10
• SMILES: I[Sb]1(I)(I)[I][Sb]2(I)([I]1)[I][Sb]([I]2)(I)(I)I.n12c3=Nc4[n]5[Sb]61n1c(c7ccccc7c1N=c1[n]6c(N=c2c2c3cccc2)c2c1cccc2)N=c5c1c4cccc1.c12=Nc3c4c(c5N=c6c7c(c8N=c9c%10c(c%11=Nc(c%12c1cccc%12)[n]2[Sb](n9%11)([n]68)n35)cccc%10)cccc7)cccc4
• Title of publication: Tetrakis[phthalocyaninato(2‒)antimony(III)] docosaiodohexaantimony(III)
• Authors of publication: Jan Janczak; Genivaldo Júlio Perpétuo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m323 - m326
• a: 14.708 ± 0.003 Å
• b: 15.633 ± 0.003 Å
• c: 19.158 ± 0.004 Å
• α: 94.99 ± 0.03°
• β: 96.62 ± 0.03°
• γ: 114.88 ± 0.03°
• Cell volume: 3924.4 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes