Information card for entry 7219913

Structure parameters

• Formula: C17 H17 B F4 Mo N2 O2
• Calculated formula: C17 H17 B F4 Mo N2 O2
• SMILES: [Mo]1234([N]#CC)([N]#CC)([c]56c(ccc([c]15[cH]4[cH]3[cH]26)C)C)(C#[O])C#[O].[B](F)(F)(F)[F-]
• 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: 7.099 ± 0.0002 Å
• b: 14.3201 ± 0.0009 Å
• c: 18.211 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1851.3 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No