Information card for entry 4115744

Structure parameters

• Formula: C82.51 H55.11 Cl1.68 N8
• Calculated formula: C82.48 H55.11 Cl1.68 N8
• Title of publication: Extremely Non-Planar Phthalocyanines with Saddle or Helical Conformation: Synthesis and Structural Characterizations
• Authors of publication: Nagao Kobayashi; Takamitsu Fukuda; Keiji Ueno; Hiroshi Ogino
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10740 - 10741
• a: 15.5258 ± 0.0005 Å
• b: 15.8918 ± 0.0007 Å
• c: 16.4589 ± 0.0002 Å
• α: 87.287 ± 0.002°
• β: 67.873 ± 0.002°
• γ: 61.084 ± 0.003°
• Cell volume: 3247.1 ± 0.2 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 2.443
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No