Information card for entry 7219911

Structure parameters

• Formula: C39 H32 Cl4 Mo2 N2 O4
• Calculated formula: C39 H32 Cl4 Mo2 N2 O4
• SMILES: [Mo]1234(Cl)(Cl)([cH]5[cH]2[cH]1[c]13c(ccc([c]451)C)C)(C#[O])C#[O].[Mo]12345([n]6c7c(ccc6)ccc6c7[n]1ccc6)([c]16[c]4(c(ccc6C)C)[cH]3[cH]5[cH]21)(C#[O])C#[O].ClCCl
• 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: 13.24 ± 0.0007 Å
• b: 19.2431 ± 0.0011 Å
• c: 15.16 ± 0.0012 Å
• α: 90°
• β: 92.773 ± 0.006°
• γ: 90°
• Cell volume: 3857.9 ± 0.4 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: 0.1545
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No