Information card for entry 4087833

Structure parameters

• Formula: C33 H29 Br N2 O2 Si W
• Calculated formula: C33 H29 Br N2 O2 Si W
• SMILES: Br[W]([n]1ccc(cc1)C)([n]1ccc(cc1)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: 11.8049 ± 0.0003 Å
• b: 11.8059 ± 0.0004 Å
• c: 12.5211 ± 0.0003 Å
• α: 63.067 ± 0.003°
• β: 76.1846 ± 0.0019°
• γ: 79.043 ± 0.002°
• Cell volume: 1503.98 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0238
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0247
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No