Information card for entry 2226699

Structure parameters

• Common name: Bis(dicarbonylcyclopentadienyliron)tin dihydroxide hydrate
• Chemical name: Tetracarbonyl-1κ^2^<i>C</i>,3κ^2^<i>C</i>-bis[1,3(η^5^)- cyclopentadienyl]dihydroxido-2κ^2^<i>O</i>-diirontin(2 <i>Fe—Sn</i>) monohydrate
• Formula: C14 H14 Fe2 O7 Sn
• Calculated formula: C14 H14 Fe2 O7 Sn
• SMILES: C(#[O])[Fe]1234(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)[Sn](O)(O)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.O
• Title of publication: Tetracarbonyl-1κ^2^<i>C</i>,3κ^2^<i>C</i>-bis[1,3(η^5^)-cyclopentadienyl]dihydroxido-2κ^2^<i>O</i>-diirontin(2 <i>Fe{—</i>Sn}) monohydrate
• Authors of publication: Kössel, Stefanie; Wagner, Christoph; Merzweiler, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m811
• a: 7.176 ± 0.0006 Å
• b: 9.7262 ± 0.0009 Å
• c: 12.063 ± 0.001 Å
• α: 92.046 ± 0.007°
• β: 90.822 ± 0.007°
• γ: 97.56 ± 0.007°
• Cell volume: 833.93 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes