Information card for entry 7219914

Structure parameters

• Formula: C25 H21 Cl Mo N2 O2
• Calculated formula: C25 H21 Cl Mo N2 O2
• SMILES: [Mo]123(Cl)([N](c4ccccc4)=Cc4[n]1cccc4)(C#[O])([CH]1=[CH]2c2c(ccc(c2C31)C)C)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: 12.938 ± 0.0004 Å
• b: 13.371 ± 0.0008 Å
• c: 16.2521 ± 0.0014 Å
• α: 90°
• β: 128.131 ± 0.005°
• γ: 90°
• Cell volume: 2211.5 ± 0.3 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: 0.0797
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No