Information card for entry 4085140

Structure parameters

• Formula: C15 H20 Cl2 Fe Ge N2 O4
• Calculated formula: C15 H20 Cl2 Fe Ge N2 O4
• SMILES: [Ge]([Fe](C#[O])(C#[O])(C#[O])C#[O])(Cl)(Cl)=C1N(C(=C(N1C(C)C)C)C)C(C)C
• Title of publication: A Molecular Complex with a Formally Neutral Iron Germanide Motif (Fe2Ge2)
• Authors of publication: Jana, Anukul; Huch, Volker; Rzepa, Henry S.; Scheschkewitz, David
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2130
• a: 9.8194 ± 0.0003 Å
• b: 12.8753 ± 0.0005 Å
• c: 15.9909 ± 0.0006 Å
• α: 90°
• β: 94.829 ± 0.002°
• γ: 90°
• Cell volume: 2014.52 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.042
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No