Information card for entry 2009303

Structure parameters

• Chemical name: 2,3-dicarbomethoxy-1,2-butadienyl-bis-irontricarbonyl
• Formula: C14 H10 Fe2 O10
• Calculated formula: C14 H10 Fe2 O10
• SMILES: [Fe]12([O]=C([C]34[C]1(C(=[O][Fe]3([CH2]=4)(C#[O])(C#[O])C#[O])OC)=[CH2]2)OC)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyliron complexes derived from dimethyl 1,3-butadiene-2,3-dicarboxylate: formation of [Fe(CO)~3~]~2~‒dimethyl 1,3-butadiene-2,3-dicarboxylate
• Authors of publication: Kongsaeree, Palangpon; Tanboriphan, Suthad; Tarnchompoo, Bongkoch; Thebtaranonth, Yodhathai
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2007 - 2010
• a: 7.6839 ± 0.0004 Å
• b: 8.7128 ± 0.0009 Å
• c: 14.049 ± 0.001 Å
• α: 105.614 ± 0.008°
• β: 97.418 ± 0.005°
• γ: 102.04 ± 0.006°
• Cell volume: 868.62 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No