Information card for entry 4089257

Structure parameters

• Chemical name: LY-912
• Formula: C35 H60 Ge N6 O4 W
• Calculated formula: C35 H60 Ge N6 O4 W
• SMILES: [W]12345([Ge]67C(N(C)C)=C(N(C)C)C7(N(C)C)C(N(C)C)=C(N(C)C)C6(N(C)C)C[c]61[c]5([c]4([c]3([c]26C)C)C)C)(C#[O])(C#[O])C#[O].O(CC)CC
• Title of publication: Coordination Chemistry of [E(Idipp)]2+ Ligands (E = Ge, Sn): Metal Germylidyne [Cp*(CO)2W≡Ge(Idipp)]+ and Metallotetrylene [Cp*(CO)3W‒E(Idipp)]+ Cations
• Authors of publication: Lebedev, Yury N.; Das, Ujjal; Schnakenburg, Gregor; Filippou, Alexander C.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1530
• a: 9.7329 ± 0.0004 Å
• b: 11.4817 ± 0.0004 Å
• c: 17.9096 ± 0.0007 Å
• α: 74.516 ± 0.003°
• β: 87.849 ± 0.003°
• γ: 83.575 ± 0.003°
• Cell volume: 1916.59 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No