Information card for entry 4061802

Structure parameters

• Formula: C8 H4 Fe2 O7 S2
• Calculated formula: C8 H4 Fe2 O7 S2
• Title of publication: Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6
• Authors of publication: Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 25
• Pages of publication: 6126 - 6135
• a: 6.833 ± 0.003 Å
• b: 13.633 ± 0.006 Å
• c: 7.711 ± 0.003 Å
• α: 90°
• β: 109.421 ± 0.006°
• γ: 90°
• Cell volume: 677.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No