Information card for entry 2012440

Structure parameters

• Common name: Antimony phthalocyanine - antimony iodide
• Chemical name: Tetrakis(phthalocyaninato(2-)antimony(III) hexadecaiodotetraantimony(III)
• Formula: C128 H64 I16 N32 Sb8
• Calculated formula: C128 H64 I16 N32 Sb8
• SMILES: c12=Nc3n4c(N=c5[n]6c(N=c7n8c(=Nc(c9c1cccc9)[n]2[Sb]468)c1ccccc71)c1ccccc51)c1ccccc31.[Sb]12(I)(I)(I)[I][Sb]34(I)(I)[I]1[Sb]1([I]2)(I)(I)[I]3[Sb](I)(I)(I)([I]4)[I]1.n12c3=Nc4c5ccccc5c5=Nc6n7c(c8c6cccc8)N=c6c8ccccc8c([n]6[Sb]17[n]45)N=c2c1ccccc31.c12=Nc3n4c(N=c5[n]6c(N=c7n8c(=Nc(c9c1cccc9)[n]2[Sb]468)c1ccccc71)c1ccccc51)c1ccccc31.n12c3=Nc4c5ccccc5c5=Nc6n7c(c8c6cccc8)N=c6c8ccccc8c([n]6[Sb]17[n]45)N=c2c1ccccc31
• Title of publication: Tetrakis[phthalocyaninato(2‒)antimony(III)] hexadecaiodotetraantimony(III)
• Authors of publication: Janczak, Jan; Idemori, Ynara Marina
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m23 - m25
• a: 15.963 ± 0.003 Å
• b: 16.051 ± 0.003 Å
• c: 16.552 ± 0.003 Å
• α: 88.59 ± 0.03°
• β: 62.54 ± 0.03°
• γ: 69.16 ± 0.03°
• Cell volume: 3466.9 ± 1.8 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: 0.062
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes