Information card for entry 7009893

Structure parameters

• Formula: C21 H32 B2 N6 O2 W
• Calculated formula: C21 H32 B2 N6 O2 W
• SMILES: [W]12([n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C)(B(CC)CC)(C#[O])C#[O]
• Title of publication: Hydroboration of metal‒carbon triple bonds †
• Authors of publication: Wadepohl, Hubert; Arnold, Ulrich; Kohl, Ute; Pritzkow, Hans; Wolf, Andreas
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3554
• a: 14.425 ± 0.007 Å
• b: 10.168 ± 0.006 Å
• c: 16.623 ± 0.008 Å
• α: 90°
• β: 92.35 ± 0.04°
• γ: 90°
• Cell volume: 2436 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 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: 0.1083
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No