Information card for entry 4073560

Structure parameters

• Formula: C16 H22 Mo
• Calculated formula: C16 H22 Mo
• SMILES: [MoH2]123456789[cH]%10[cH]1[cH]2[cH]3[c]4%10C(C([c]15[cH]6[cH]7[cH]8[cH]91)(C)C)(C)C
• 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: 32.751 ± 0.01 Å
• b: 7.589 ± 0.002 Å
• c: 10.966 ± 0.003 Å
• α: 90°
• β: 106.612 ± 0.005°
• γ: 90°
• Cell volume: 2611.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No