Information card for entry 4348051

Structure parameters

• Formula: C22 H20 As3 Fe4 N O14
• Calculated formula: C22 H20 As3 Fe4 N O14
• SMILES: [As]12([As]3[As]4([Fe](C#[O])(C#[O])(C#[O])C#[O])[Fe]13([Fe]24(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Fe](C#[O])(C#[O])(C#[O])C#[O].C(C)[N+](CC)(CC)CC
• Title of publication: New Main-Group-Element-Rich nido-Octahedral Cluster System: Synthesis and Characterization of [Et4N][Fe2(CO)6(μ3-As){μ3-EFe(CO)4}2].
• Authors of publication: Schipper, Desmond E.; Ikhlef, Djamila; Khalal, Samila; Saillard, Jean-Yves; Whitmire, Kenton H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 6679 - 6684
• a: 9.657 ± 0.006 Å
• b: 13.537 ± 0.007 Å
• c: 13.882 ± 0.007 Å
• α: 68.332 ± 0.018°
• β: 81.88 ± 0.02°
• γ: 75.443 ± 0.018°
• Cell volume: 1630 ± 1.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2304
• Weighted residual factors for all reflections included in the refinement: 0.2935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No