Information card for entry 4077521

Structure parameters

• Formula: C13 H21 Mo
• Calculated formula: C13 H21 Mo
• SMILES: [Mo]1234567([C]([C]1(=[CH2]3)C)(=[CH2]2)C)(C)([cH]1[cH]6[cH]5[cH]4[cH]71)C
• 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: 15.092 ± 0.001 Å
• b: 7.458 ± 0.001 Å
• c: 22.186 ± 0.002 Å
• α: 90°
• β: 91.248 ± 0.008°
• γ: 90°
• Cell volume: 2496.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.0727
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No