Information card for entry 7027032

Structure parameters

• Formula: C20 H12 Fe2 O6 Te2
• Calculated formula: C20 H12 Fe2 O6 Te2
• SMILES: C(#[O])[Fe]12([Te](Cc3ccccc13)[Fe]1(c3c(C[Te]21)cccc3)(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: The reactions of heterocyclic organotellurium and selenium compounds with triiron dodecacarbonyl
• Authors of publication: Majeed, Zulfiqar; McWhinnie, William R.; Paxton, Keith; Hamor, Thomas A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 23
• Pages of publication: 3947
• a: 10.863 ± 0.002 Å
• b: 7.245 ± 0.002 Å
• c: 14.38 ± 0.003 Å
• α: 90°
• β: 105.49 ± 0.02°
• γ: 90°
• Cell volume: 1090.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.1042
• Goodness-of-fit parameter for all reflections: 1.256
• Goodness-of-fit parameter for significantly intense reflections: 1.274
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No