Information card for entry 7010314

Structure parameters

• Formula: C62 H38 Cl2 Fe N8
• Calculated formula: C62 H38 Cl2 Fe N8
• Title of publication: Structure, optical and magnetic behaviour of meso-tetraphenylporphyrinatoiron(III) tetracyanoethenide, [FeIII(TPP)]+[TCNE]˙− †
• Authors of publication: Mikami, Shinji; Sugiura, Ken-ichi; Maruta, Tatsuo; Maeda, Yonezo; Ohba, Masaaki; Usuki, Naoki; Ōkawa, Hisashi; Akutagawa, Tomoyuki; Nisihara, Sadafumi; Nakamura, Takayoshi; Iwasaki, Kentaro; Miyazaki, Nobuyuki; Hino, Shojun; Asato, Eiji; Miller, Joel S.; Sakata, Yoshiteru
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 448
• a: 10.937 ± 0.004 Å
• b: 13.32 ± 0.004 Å
• c: 9.628 ± 0.003 Å
• α: 97.17 ± 0.03°
• β: 114.87 ± 0.02°
• γ: 99.74 ± 0.03°
• Cell volume: 1223.7 ± 0.8 ų
• Cell temperature: 225.7 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.852
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No