Information card for entry 7219909

Structure parameters

• Formula: C17 H15 Cl Mo N2 O2
• Calculated formula: C17 H15 Cl Mo N2 O2
• SMILES: [Mo]123(Cl)([n]4c(C=[N]1c1ccccc1)cccc4)([CH](=[CH2]2)C3)(C#[O])C#[O]
• Title of publication: Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere
• Authors of publication: Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 34
• Pages of publication: 27140
• a: 9.346 ± 0.0005 Å
• b: 15.946 ± 0.0006 Å
• c: 13.3571 ± 0.0007 Å
• α: 90°
• β: 125.627 ± 0.004°
• γ: 90°
• Cell volume: 1618.03 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.0275
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No