Information card for entry 7017737

Structure parameters

• Formula: C13 H9 Cr F2 N O5 Si
• Calculated formula: C13 H9 Cr F2 N O5 Si
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[N]C(=C(\C#C[Si](C)(C)C)F)\F
• Title of publication: Syntheses of highly unsaturated isocyanides via organometallic pathways.
• Authors of publication: Mujkic, Monika; Lentz, Dieter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 839 - 849
• a: 6.1314 ± 0.0018 Å
• b: 11.701 ± 0.002 Å
• c: 23.613 ± 0.006 Å
• α: 90°
• β: 93.923 ± 0.005°
• γ: 90°
• Cell volume: 1690.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No