Information card for entry 4123221

Structure parameters

• Formula: C60.57 H50 Cl18.28 N5 Ni
• Calculated formula: C60.57 H50 Cl18.28 N5 Ni
• Title of publication: Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.
• Authors of publication: Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 1
• Pages of publication: 142 - 145
• a: 17.296 ± 0.004 Å
• b: 22.701 ± 0.005 Å
• c: 35.704 ± 0.007 Å
• α: 90°
• β: 97.121 ± 0.002°
• γ: 90°
• Cell volume: 13911 ± 5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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 all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2311
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No