Information card for entry 4338047

Structure parameters

• Formula: C88 H78 Fe4 N S8
• Calculated formula: C88 H83 Fe4 N S8
• Title of publication: A convenient route to synthetic analogues of the oxidized form of high-potential iron-sulfur proteins.
• Authors of publication: Tanifuji, Kazuki; Yamada, Norihiro; Tajima, Tomoyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa; Tamao, Kohei; Ohki, Yasuhiro; Tatsumi, Kazuyuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 4000 - 4009
• a: 20.1852 ± 0.0012 Å
• b: 18.3077 ± 0.0011 Å
• c: 22.3279 ± 0.0013 Å
• α: 90°
• β: 94.5234 ± 0.0009°
• γ: 90°
• Cell volume: 8225.5 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No