Information card for entry 4063687

Structure parameters

• Formula: C26 H20 Mo O2
• Calculated formula: C26 H20 Mo O2
• SMILES: [Mo]123456([c]78cccc[c]17[c]3([cH]4[c]28c1ccccc1)c1ccccc1)([CH2]=[CH]6C5)(C#[O])C#[O]
• Title of publication: Reaction of Spiro[2.4]hepta-4,6-diene with Molybdenum(II) Indenyl Compounds: Effects of Substitution in the Indenyl Ligand
• Authors of publication: Honzíček, Jan; Romão, Carlos C.; Calhorda, Maria J.; Mukhopadhyay, Abhik; Vinklárek, Jaromír; Padělková, Zdeňka
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 717
• a: 12.6539 ± 0.0003 Å
• b: 11.581 ± 0.0003 Å
• c: 14.7388 ± 0.0003 Å
• α: 90°
• β: 111.286 ± 0.001°
• γ: 90°
• Cell volume: 2012.55 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No