Information card for entry 7055145

Structure parameters

• Formula: C16 H14 Mo O3
• Calculated formula: C16 H14 Mo O3
• SMILES: [Mo]123456([cH]7[c]81cccc[c]28[c]6([cH]37)C(=O)C)(C#[O])([CH2]=[CH]4C5)C#[O]
• Title of publication: Novel indenyl ligands bearing electron-withdrawing functional groups
• Authors of publication: Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 245
• a: 7.721 ± 0.0006 Å
• b: 15.632 ± 0.0012 Å
• c: 23.2461 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2805.7 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No