Information card for entry 2237895

Structure parameters

• Chemical name: Tetraphenylphosphonium [μ~3~-(4-methylphenyl)tellurolato]tris[tetracarbonyliron(0)]
• Formula: C43 H27 Fe3 O12 P Te
• Calculated formula: C43 H27 Fe3 O12 P Te
• SMILES: [Te]([Fe](C#[O])(C#[O])(C#[O])C#[O])([Fe](C#[O])(C#[O])(C#[O])C#[O])([Fe](C#[O])(C#[O])(C#[O])C#[O])c1ccc(cc1)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tetraphenylphosphonium [μ~3~-(4-methylphenyl)tellurolato]tris[tetracarbonyliron(0)]
• Authors of publication: Li, Yu-Long; Xie, Bin; Zou, Li-Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m328
• a: 12.367 ± 0.007 Å
• b: 12.558 ± 0.006 Å
• c: 13.626 ± 0.007 Å
• α: 89.802 ± 0.017°
• β: 87.964 ± 0.013°
• γ: 86.312 ± 0.018°
• Cell volume: 2110.5 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0517
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes