Information card for entry 7045227

Structure parameters

• Formula: C25 H37 B N6 O2 Si W
• Calculated formula: C25 H37 B N6 O2 Si W
• SMILES: [W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(#CC(=C([Si](C)(C)C)\C)\C)(C#[O])C#[O]
• Title of publication: Synthesis and reactivity of an anionic allenylidene complex.
• Authors of publication: Hill, Anthony F.; Manzano, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1412 - 1416
• a: 12.636 ± 0.0004 Å
• b: 14.8272 ± 0.0005 Å
• c: 16.3046 ± 0.0006 Å
• α: 90°
• β: 109.839 ± 0.004°
• γ: 90°
• Cell volume: 2873.47 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0525
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No