Information card for entry 4061803

Structure parameters

• Formula: C16 H24 Fe2 N2 O6 S2
• Calculated formula: C16 H24 Fe2 N2 O6 S2
• SMILES: [Fe]12([Fe]3([S]1COC[S]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#N.[N+](CC)(CC)(CC)CC
• 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: 32.554 ± 0.012 Å
• b: 11.294 ± 0.004 Å
• c: 13.655 ± 0.005 Å
• α: 90°
• β: 114.653 ± 0.011°
• γ: 90°
• Cell volume: 4563 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No