Information card for entry 7203679

Structure parameters

• Common name: Compound 2
• Formula: C86 H116 F In N8
• Calculated formula: C86 H90 F In N8
• Title of publication: X-Ray crystallographic studies of three substituted indium(iii) phthalocyanines: effect of ring substitution and the axial ligand on molecular geometry and packing
• Authors of publication: Aurélien Auger; Paul M. Burnham; Isabelle Chambrier; Michael J. Cook; David L. Hughes
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 168
• a: 12.873 ± 0.003 Å
• b: 17.91 ± 0.004 Å
• c: 17.642 ± 0.004 Å
• α: 102.92 ± 0.03°
• β: 93.73 ± 0.03°
• γ: 90.5 ± 0.03°
• Cell volume: 3955 ± 1.6 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 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: 0.1582
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No