Information card for entry 1568934

Structure parameters

• Chemical name: {μ-2,2'-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[<i>c</i>]pyrrol-5-one]}bis[tricarbonyliron(0)]
• Formula: C34 H48 Fe2 N2 O8 Si4
• Calculated formula: C34 H48 Fe2 N2 O8 Si4
• SMILES: C(CN1C[C]23=[C]4(C(=O)[C]5(=[C]2(C1)[Fe]345(C#[O])(C#[O])C#[O])[Si](C)(C)C)[Si](C)(C)C)N1C[C]23=[C]4(C(=O)[C]5(=[C]2(C1)[Fe]345(C#[O])(C#[O])C#[O])[Si](C)(C)C)[Si](C)(C)C
• Title of publication: {μ-2,2′-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one]}bis[tricarbonyliron(0)]
• Authors of publication: Huerta-Zerón, Hilario D.; Spannenberg, Anke; Beller, Matthias; Junge, Henrik
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 4
• Pages of publication: x230346
• a: 17.8815 ± 0.0013 Å
• b: 12.5896 ± 0.001 Å
• c: 20.3917 ± 0.0016 Å
• α: 90°
• β: 112.01 ± 0.0016°
• γ: 90°
• Cell volume: 4256 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.07
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No