Information card for entry 4115745

Structure parameters

• Formula: C105 H92 Co N8 O6
• Calculated formula: C102.6 H64 Co N8 O5.1
• 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: 31.46 ± 0.009 Å
• b: 20.602 ± 0.004 Å
• c: 28.041 ± 0.003 Å
• α: 90°
• β: 115.608 ± 0.001°
• γ: 90°
• Cell volume: 16389 ± 6 ų
• Cell temperature: 150.2 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 significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 2.129
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No