Information card for entry 4073559

Structure parameters

• Formula: C23 H30 Mo O5 S
• Calculated formula: C23 H30 Mo O5 S
• Title of publication: Organometallic Catalysis in Aqueous Solution. The Hydrolytic Activity of a Water-Solubleansa-Molybdocene Catalyst
• Authors of publication: Ahmed, Takiya J.; Zakharov, Lev N.; Tyler, David R.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 21
• Pages of publication: 5179
• a: 17.207 ± 0.002 Å
• b: 7.7689 ± 0.0011 Å
• c: 17.786 ± 0.003 Å
• α: 90°
• β: 110.32 ± 0.003°
• γ: 90°
• Cell volume: 2229.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No