Information card for entry 7106534

Structure parameters

• Common name: 3
• Formula: C33 H38 Cl2 Ge N2 O5 W
• Calculated formula: C33 H38 Cl2 Ge N2 O5 W
• SMILES: [W]([Ge](Cl)(Cl)Cc1n(cc[n+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Intercepting low oxidation state main group hydrides with a nucleophilic N-hetereocyclic olefin
• Authors of publication: S.M. Ibrahim Al-Rafia; Adam Malcolm; Sean Liew; Michael Ferguson; Robert McDonald; Eri Rivard
• Journal of publication: Chem. Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6987
• a: 24.2684 ± 0.0011 Å
• b: 11.1671 ± 0.0005 Å
• c: 13.238 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3587.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No