Information card for entry 7058733

Structure parameters

• Formula: C30 H8 Fe4 O12 S4
• Calculated formula: C30 H8 Fe4 O12 S4
• Title of publication: Electrocatalytic hydrogen production using [FeFe]-hydrogenase mimics based on tetracene derivatives
• Authors of publication: Watanabe, Motonori; Goto, Kenta; Miyazaki, Takaaki; Shibahara, Masahiko; Chang, Yuan Jay; Chow, Tahsin J.; Ishihara, Tatsumi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13810
• a: 12.232 ± 0.005 Å
• b: 9.726 ± 0.004 Å
• c: 13.98 ± 0.005 Å
• α: 90°
• β: 107.386 ± 0.009°
• γ: 90°
• Cell volume: 1587.2 ± 1.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No