Information card for entry 4088178

Structure parameters

• Chemical name: bis(?2-hydrido)-tetradecacarbonyl-arsenic-tri-iron-manganese
• Formula: C14 H2 As Fe3 Mn O14
• Calculated formula: C14 H2 As Fe3 Mn O14
• SMILES: [Mn]([As]12[Fe]34([Fe]51([Fe]23(C#[O])(C#[O])(C#[O])([H]4)[H]5)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials
• Authors of publication: Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 471
• a: 12.513 ± 0.006 Å
• b: 11.826 ± 0.006 Å
• c: 14.665 ± 0.007 Å
• α: 90°
• β: 99.276 ± 0.005°
• γ: 90°
• Cell volume: 2141.7 ± 1.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No