Information card for entry 7055146

Structure parameters

• Formula: C22 H16 Mo O4
• Calculated formula: C22 H16 Mo O4
• SMILES: [Mo]123456(C#[O])(C#[O])(C7c8c([C]2(C(=O)OC)=[CH]17)cccc8)[c]12cccc[c]62[cH]3[cH]5[cH]41
• 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: 10.229 ± 0.0003 Å
• b: 8.629 ± 0.0007 Å
• c: 21.3501 ± 0.0013 Å
• α: 90°
• β: 110.029 ± 0.004°
• γ: 90°
• Cell volume: 1770.51 ± 0.19 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No