Information card for entry 7010848

Structure parameters

• Formula: C136 H92 Co N4
• Calculated formula: C136 H92 Co N4
• Title of publication: Fullerene C60 exhibiting a strong intermolecular interaction in a cocrystallite with C4 symmetrical cobalt tetrakis(di-tert-butylphenyl)porphyrin
• Authors of publication: Ishii, Tomohiko; Kanehama, Ryo; Aizawa, Naoko; Yamashita, Masahiro; Matsuzaka, Hiroyuki; Sugiura, Ken-ichi; Miyasaka, Hitoshi; Kodama, Takeshi; Kikuchi, Kouichi; Ikemoto, Isao; Tanaka, Hisaaki; Marumoto, Kazuhiro; Kuroda, Shin-Ichi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2975
• a: 20.399 ± 0.002 Å
• b: 20.399 ± 0.001 Å
• c: 12.0635 ± 0.0008 Å
• α: 90 ± 0.002°
• β: 90 ± 0.003°
• γ: 90 ± 0.003°
• Cell volume: 5019.9 ± 0.6 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.944
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No