Information card for entry 4077523

Structure parameters

• Formula: C11 H15 Br0.77 Cl0.23 Mo
• Calculated formula: C11 H15 Br0.774 Cl0.226 Mo
• 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: 8.703 ± 0.0002 Å
• b: 19.521 ± 0.0003 Å
• c: 12.441 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2113.62 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No