Information card for entry 4087834

Structure parameters

• Formula: C47 H63 Br O2 P2 Si W
• Calculated formula: C47 H63 Br O2 P2 Si W
• SMILES: Br[W]1([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(#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: 14.512 ± 0.0001 Å
• b: 18.8706 ± 0.0002 Å
• c: 16.8137 ± 0.0002 Å
• α: 90°
• β: 95.4929 ± 0.0007°
• γ: 90°
• Cell volume: 4583.29 ± 0.08 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: 0.0691
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9558
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No