Information card for entry 7219910

Structure parameters

• Formula: C19 H17 Cl Mo N2 O2
• Calculated formula: C19 H17 Cl Mo N2 O2
• SMILES: [Mo]123(Cl)([CH](=[CH2]2)C3)([n]2c(C)ccc3ccc4ccc([n]1c4c23)C)(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: 7.8081 ± 0.0007 Å
• b: 10.0351 ± 0.0007 Å
• c: 11.388 ± 0.0003 Å
• α: 85.912 ± 0.004°
• β: 82.923 ± 0.003°
• γ: 72.94 ± 0.006°
• Cell volume: 845.96 ± 0.1 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: 0.0227
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No