Information card for entry 4087836

Structure parameters

• Formula: C27 H31 Br N2 O2 Si W
• Calculated formula: C27 H31 Br N2 O2 Si W
• SMILES: Br[W]1([N](CC[N]1(C)C)(C)C)(#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Synthesis of a Stable Methylidyne Complex
• Authors of publication: Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5057
• a: 9.3085 ± 0.0003 Å
• b: 15.1128 ± 0.0004 Å
• c: 19.6064 ± 0.0004 Å
• α: 90°
• β: 96.3395 ± 0.0018°
• γ: 90°
• Cell volume: 2741.31 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.1908
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No