Information card for entry 4336678

Structure parameters

• Formula: C24 H28 Fe4 N Na O18
• Calculated formula: C24 H28 Fe4 N Na O18
• SMILES: [Fe]123([Fe]45([Fe]1([N]35[Fe]24(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Na]1234([O](C)CC[O]1CC[O]2C)[O](C)CC[O]3CC[O]4C
• Title of publication: Electrocatalytic Hydrogen Evolution from Water by a Series of Iron Carbonyl Clusters
• Authors of publication: An D. Nguyen; M. Diego Rail; Maheswaran Shanmugam; James C. Fettinger; Louise A. Berben
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12847 - 12854
• a: 11.5279 ± 0.0006 Å
• b: 25.3852 ± 0.0009 Å
• c: 12.2121 ± 0.0005 Å
• α: 90°
• β: 93.929 ± 0.003°
• γ: 90°
• Cell volume: 3565.3 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.2744
• Weighted residual factors for all reflections included in the refinement: 0.293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No