Information card for entry 4077522

Structure parameters

• Formula: C15 H15 F6 Mo O4
• Calculated formula: C15 H15 F6 Mo O4
• SMILES: [Mo]1234567(OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)([CH2]=[C]1([C]2(=[CH2]3)C)C)[cH]1[cH]4[cH]5[cH]6[cH]71
• Title of publication: Dialkyl(butadiene)cyclopentadienylmolybdenum(III) Complexes. Synthesis, Characterization, and Reactivity
• Authors of publication: Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 3842
• a: 14.566 ± 0.001 Å
• b: 14.717 ± 0.001 Å
• c: 16.7 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3579.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.1296
• Weighted residual factors for significantly intense reflections: 0.1132
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No