Information card for entry 7203678

Structure parameters

• Common name: Compound 1
• Formula: C80 H112 Cl In N8
• Calculated formula: C80 H77 Cl 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: 29.331 ± 0.002 Å
• b: 12.128 ± 0.001 Å
• c: 41.706 ± 0.003 Å
• α: 90°
• β: 108.896 ± 0.002°
• γ: 90°
• Cell volume: 14036.4 ± 1.8 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 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: 0.064
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No