Information card for entry 2014322

Structure parameters

• Chemical name: Bis{[phthalocyaninato(2-)]arsenic(III)} octaiododiarsenic(III)
• Formula: C64 H32 As4 I8 N16
• Calculated formula: C64 H32 As4 I8 N16
• SMILES: I[As]1([I-])(I)[I][As]([I]1)([I-])(I)I.[As]123n4c5=NC6=[N]3C(=Nc3n2c(N=C2[N]1=C(N=c4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61.[As]123n4c5=NC6=[N]3C(=Nc3n2c(N=C2[N]1=C(N=c4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61
• Title of publication: Bis{[phthalocyaninato(2‒)]arsenic(III)} octaiododiarsenic(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: 2
• Pages of publication: m45 - m47
• a: 19.357 ± 0.003 Å
• b: 16.537 ± 0.002 Å
• c: 21.783 ± 0.003 Å
• α: 90°
• β: 97.09 ± 0.01°
• γ: 90°
• Cell volume: 6919.6 ± 1.7 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: 0.0765
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes