Information card for entry 7009894

Structure parameters

• Formula: C31 H47 B O4 W
• Calculated formula: C31 H47 B O4 W
• SMILES: [W]1234567(C#[O])(C(=O)CC)([CH]8=[C]1([CH]2=[CH]3C(=C)[C@H]8[C@]1(OB(OC(C1)(C)C)CC)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)CC.[W]1234567(C#[O])(C(=O)CC)([CH]8=[C]1([CH]2=[CH]3C(=C)[C@@H]8[C@@]1(OB(OC(C1)(C)C)CC)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)CC
• 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: 8.829 ± 0.014 Å
• b: 12.33 ± 0.02 Å
• c: 14.24 ± 0.02 Å
• α: 103 ± 0.13°
• β: 97.29 ± 0.13°
• γ: 97.15 ± 0.13°
• Cell volume: 1479 ± 4 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No