Information card for entry 4112301

Structure parameters

• Formula: C90 H16 Cu2 F40 N8 O4
• Calculated formula: C92 H16 Cu2 F40 N8 O8
• Title of publication: Thermal Splitting of Bis-Cu(II) Octaphyrin(1.1.1.1.1.1.1.1) into Two Cu(II) Porphyrins
• Authors of publication: Yasuo Tanaka; Wataru Hoshino; Soji Shimizu; Katsuyuki Youfu; Naoki Aratani; Norihiko Maruyama; Shizuo Fujita; Atsuhiro Osuka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3046 - 3047
• a: 23.14 ± 0.003 Å
• b: 15.364 ± 0.002 Å
• c: 24.814 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8821.9 ± 1.9 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No