Information card for entry 7118821

Structure parameters

• Formula: C19 H25 Fe N2 O4 P Si
• Calculated formula: C19 H25 Fe N2 O4 P Si
• SMILES: [Fe]([Si]1(P)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Phosphinosilylenes as a novel ligand system for heterobimetallic complexes.
• Authors of publication: Breit, Nora C.; Eisenhut, Carsten; Inoue, Shigeyoshi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 32
• Pages of publication: 5523 - 5526
• a: 12.5723 ± 0.0001 Å
• b: 13.3184 ± 0.0001 Å
• c: 13.6939 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2292.95 ± 0.03 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0333
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No