Information card for entry 4081732

Structure parameters

• Common name: 2
• Formula: C33 H38 Cl4 Ge2 N2 O5 W
• Calculated formula: C33 H38 Cl4 Ge2 N2 O5 W
• SMILES: [W]([Ge]([Ge](Cl)(Cl)Cc1n(cc[n+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)Cl)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Stable Complexes of Parent Digermene: An Inorganic Analogue of Ethylene
• Authors of publication: Al-Rafia, S. M. Ibrahim; Momeni, Mohammad R.; Ferguson, Michael J.; McDonald, Robert; Brown, Alex; Rivard, Eric
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6658
• a: 16.2246 ± 0.0015 Å
• b: 20.6128 ± 0.0019 Å
• c: 24.111 ± 0.002 Å
• α: 90°
• β: 98.941 ± 0.001°
• γ: 90°
• Cell volume: 7965.6 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No