Information card for entry 4086220

Structure parameters

• Formula: C37 H38 Fe Ge N2 O5 Si
• Calculated formula: C37 H38 Fe Ge N2 O5 Si
• SMILES: [Ge]1([Fe](C#[O])(C#[O])(C#[O])C#[O])(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)N(C2=CC=CC=CC2=[N]1CC(C)C)CC(C)C
• Title of publication: Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison
• Authors of publication: Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3246
• a: 13.2574 ± 0.0018 Å
• b: 14.068 ± 0.002 Å
• c: 19.434 ± 0.003 Å
• α: 90.059 ± 0.002°
• β: 90.08 ± 0.002°
• γ: 99.031 ± 0.002°
• Cell volume: 3579.6 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No