Information card for entry 4062910

Structure parameters

• Formula: C51 H42 Cl6 Fe5 O12 P2 S4
• Calculated formula: C51 H42 Cl6 Fe5 O12 P2 S4
• Title of publication: Novel Single and Double Diiron Oxadithiolates as Models for the Active Site of [Fe]-Only Hydrogenases
• Authors of publication: Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Hu, Qing-Mei
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 13
• Pages of publication: 3082 - 3084
• a: 10.422 ± 0.006 Å
• b: 13.454 ± 0.006 Å
• c: 14.36 ± 0.008 Å
• α: 117.43 ± 0.012°
• β: 106.307 ± 0.01°
• γ: 94.84 ± 0.01°
• Cell volume: 1660.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No