Information card for entry 4061809

Structure parameters

• Formula: C40 H37 Cl3 Fe2 N O5 P2 S2
• Calculated formula: C40 H37 Cl3 Fe2 N O5 P2 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: 11.244 ± 0.006 Å
• b: 13.596 ± 0.007 Å
• c: 15.158 ± 0.007 Å
• α: 76.821 ± 0.009°
• β: 72.85 ± 0.009°
• γ: 81.23 ± 0.008°
• Cell volume: 2146.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No