Information card for entry 7034159

Structure parameters

• Formula: C8 H5 B Cl2 O3 W
• Calculated formula: C8 H5 B Cl2 O3 W
• SMILES: [W]1234(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])B(Cl)Cl
• Title of publication: Iminoborylene complexes: evaluation of synthetic routes towards BN-allenylidenes and unexpected reactivity towards carbodiimides.
• Authors of publication: Niemeyer, J.; Kelly, M. J.; Riddlestone, I. M.; Vidovic, D.; Aldridge, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11294 - 11305
• a: 7.8866 ± 0.0004 Å
• b: 11.0772 ± 0.0005 Å
• c: 12.3944 ± 0.0006 Å
• α: 90°
• β: 97.45 ± 0.002°
• γ: 90°
• Cell volume: 1073.65 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections: 0.1558
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No