Information card for entry 4076349

Structure parameters

• Formula: C14 H14 Mo O6
• Calculated formula: C14 H14 Mo O6
• SMILES: [Mo]123456(C#[O])(C#[O])([CH](C(=O)OC)=[CH]1C2)[cH]1[cH]6[cH]5[cH]4[cH]31C(=O)OC
• Title of publication: Effect of the Substitution on the Protonation of Allyl Cyclopentadienyl Molybdenum(II) Compounds
• Authors of publication: Honzíček, Jan; Kratochvíl, Pavel; Vinklárek, Jaromír; Eisner, Aleš; Padělková, Zdeňka
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2193
• a: 7.5069 ± 0.0005 Å
• b: 9.912 ± 0.0005 Å
• c: 10.4911 ± 0.0008 Å
• α: 82.833 ± 0.005°
• β: 75.196 ± 0.005°
• γ: 72.82 ± 0.004°
• Cell volume: 720.01 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No