Information card for entry 7105139

Structure parameters

• Common name: Copper hexadecafluorophthalocyanine
• Chemical name: Copper hexadecafluorophthalocyanine
• Formula: C32 Cu F16 N8
• Calculated formula: C32 Cu F16 N8
• Title of publication: Single crystal structure of copper hexadecafluorophthalocyanine (F16CuPc) ribbon.
• Authors of publication: Yoon, Seok Min; Song, Hyun Jae; Hwang, In-Chul; Kim, Kwang S; Choi, Hee Cheul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 231 - 233
• a: 4.796 ± 0.001 Å
• b: 10.228 ± 0.002 Å
• c: 28.002 ± 0.006 Å
• α: 86.41 ± 0.03°
• β: 87.89 ± 0.03°
• γ: 81.39 ± 0.03°
• Cell volume: 1354.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No