Information card for entry 7705765

Structure parameters

• Formula: C12 H18 B Mo N O5 Si
• Calculated formula: C12 H18 B Mo N O5 Si
• SMILES: [Mo](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=BN(C(C)(C)C)[Si](C)(C)C
• Title of publication: Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.
• Authors of publication: Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17719 - 17724
• a: 15.031 ± 0.004 Å
• b: 6.621 ± 0.0014 Å
• c: 18.182 ± 0.004 Å
• α: 90°
• β: 105.893 ± 0.012°
• γ: 90°
• Cell volume: 1740.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0348
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No