Information card for entry 7055147

Structure parameters

• Formula: C19 H21 Mo N O3
• Calculated formula: C19 H21 Mo N O3
• SMILES: [Mo]123456(C#[O])([c]7(C(=O)NC(C)(C)C)[c]81[c]4(cccc8)[cH]2[cH]37)(C#[O])[CH](=[CH2]5)C6
• 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: 15.7229 ± 0.0006 Å
• b: 10.526 ± 0.0004 Å
• c: 10.5021 ± 0.0007 Å
• α: 90°
• β: 96.03 ± 0.007°
• γ: 90°
• Cell volume: 1728.47 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No