Information card for entry 7233998

Structure parameters

• Common name: Vanadium oxide phthalocyanine
• Chemical name: Vanadyl phthalocyanine
• Formula: C32 H16 N8 O V
• Calculated formula: C32 H16 N8 O V
• SMILES: N1=c2n3[V]45(=O)[n]6c1c1ccccc1c6=Nc1n4c(c4c1cccc4)N=c1[n]5c(c4c1cccc4)N=c3c1ccccc21
• Title of publication: Exploring high temperature templating in non-planar phthalocyanine/copper iodide (111) bilayers
• Authors of publication: Alexandra J. Ramadan; Luke A. Rochford; Dean S. Keeble; Paul Sullivan; Mary P. Ryan; Tim S. Jones; Sandrine Heutz
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 461 - 465
• a: 8.7236 ± 0.0005 Å
• b: 12.0048 ± 0.0007 Å
• c: 12.6103 ± 0.0008 Å
• α: 68.024 ± 0.006°
• β: 83.699 ± 0.005°
• γ: 85.6 ± 0.005°
• Cell volume: 1216.35 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No