Information card for entry 7029290

Structure parameters

• Formula: C59 H89 Cl Fe Ge N2 O3 Si2
• Calculated formula: C59 H89 Cl Fe Ge N2 O3 Si2
• SMILES: [Ge]1([Si](c2c(cc(cc2C(C)C)C(C)C)C(C)C)(c2c(cc(cc2C(C)C)C(C)C)C(C)C)[Fe]([Si]1(Cl)c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C#[O])(C#[O])C#[O])=C1N(C(=C(N1C(C)C)C)C)C(C)C
• Title of publication: NHC-coordinated silagermenylidene functionalized in allylic position and its behaviour as a ligand.
• Authors of publication: Jana, Anukul; Majumdar, Moumita; Huch, Volker; Zimmer, Michael; Scheschkewitz, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 5175 - 5181
• a: 19.6288 ± 0.0005 Å
• b: 24.6607 ± 0.0007 Å
• c: 24.6974 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11955 ± 0.6 ų
• Cell temperature: 132 ± 2 K
• Ambient diffraction temperature: 132 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No