Information card for entry 7000704

Structure parameters

• Formula: C30 H36 Fe2 N O4 P2 S2
• Calculated formula: C30 H36 Fe2 N O4 P2 S2
• Title of publication: Structures, protonation, and electrochemical properties of diiron dithiolate complexes containing pyridyl-phosphine ligands
• Authors of publication: Li, Ping; Wang, Mei; Chen, Lin; Liu, Jihong; Zhao, Zhenbo; Sun, Licheng
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1919 - 1926
• a: 9.1648 ± 0.0018 Å
• b: 12.253 ± 0.002 Å
• c: 15.845 ± 0.003 Å
• α: 82.194 ± 0.002°
• β: 77.273 ± 0.002°
• γ: 73.081 ± 0.002°
• Cell volume: 1655.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No