Information card for entry 2012155

Structure parameters

• Formula: C32 H16 Cr I N8
• Calculated formula: C32 H16 Cr I N8
• SMILES: I[Cr]123n4c5=Nc6[n]3c(=Nc3n2c(N=c2[n]1c(N=c4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61
• Title of publication: Iodo(phthalocyaninato)chromium(III)
• Authors of publication: Janczak, Jan; Idemori, Ynara Marina
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 924 - 925
• a: 13.173 ± 0.003 Å
• b: 10.424 ± 0.002 Å
• c: 19.435 ± 0.004 Å
• α: 90°
• β: 99.76 ± 0.03°
• γ: 90°
• Cell volume: 2630.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes