Information card for entry 7219919

Structure parameters

• Formula: C27 H23 Br Mo N2 O2
• Calculated formula: C27 H23 Br Mo N2 O2
• SMILES: [Mo]123(Br)([n]4c(C)ccc5c4c4[n]1c(C)ccc4cc5)(C#[O])(C#[O])C1c4c(ccc(c4[CH]3=[CH]21)C)C
• 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: 15.098 ± 0.0014 Å
• b: 14.976 ± 0.0014 Å
• c: 20.7031 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4681.1 ± 0.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No