Information card for entry 4088177

Structure parameters

• Chemical name: Tetraethylammonium (?2-carbonyl)-(bromo-tetracarbonyl-manganese)-nonacarbonyl-arsenic-tri-iron
• Formula: C22 H20 As Br Fe3 Mn N O14
• Calculated formula: C22 H20 As Br Fe3 Mn N O14
• SMILES: [As]12([Fe]34([Fe]1([Fe]23(C#[O])(C#[O])C#[O])(C4=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Mn](Br)(C#[O])(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• 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: 17.645 ± 0.004 Å
• b: 16.163 ± 0.003 Å
• c: 11.135 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3175.7 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No