Information card for entry 7055149

Structure parameters

• Formula: C22 H20 Cl Mo N O4
• Calculated formula: C22 H20 Cl Mo N O4
• SMILES: [Mo]123456(C#[O])([c]78cccc[c]48[cH]2[cH]1[c]37C(=O)Nc1ccc(Cl)cc1)(C#[O])[CH2]=[CH]5C6.OC
• 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: 7.002 ± 0.0006 Å
• b: 8.928 ± 0.0006 Å
• c: 17.3821 ± 0.0007 Å
• α: 75.562 ± 0.005°
• β: 85.442 ± 0.006°
• γ: 74.224 ± 0.006°
• Cell volume: 1012.59 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0401
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No