Information card for entry 4085142

Structure parameters

• Formula: C37 H48 Fe2 Ge2 N4 O8 S
• Calculated formula: C37 H48 Fe2 Ge2 N4 O8 S
• SMILES: [Ge]1([Ge]([Fe](C#[O])(C#[O])(C#[O])C#[O])(S1)=C1N(C(=C(N1C(C)C)C)C)C(C)C)([Fe](C#[O])(C#[O])(C#[O])C#[O])=C1N(C(=C(N1C(C)C)C)C)C(C)C.c1(ccccc1)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: 11.0226 ± 0.0002 Å
• b: 17.8671 ± 0.0004 Å
• c: 21.7025 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4274.13 ± 0.15 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No