Information card for entry 4067097

Structure parameters

• Formula: C45 H67 B2 Mo2 N12 O4
• Calculated formula: C45 H67 B2 Mo2 N12 O4
• Title of publication: Synthesis of a Thiocarbamoyl Alkylidyne Complex and Caveats Associated with the Use of [Mo(≡CLi)(CO)2(Tp*)] (Tp* = Hydrotris(3,5-dimethylpyrazol-1-yl)borate)
• Authors of publication: Colebatch, Annie L.; Hill, Anthony F.; Shang, Rong; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6482
• a: 24.5979 ± 0.0003 Å
• b: 25.1666 ± 0.0003 Å
• c: 17.0814 ± 0.0002 Å
• α: 90°
• β: 101.449 ± 0.0007°
• γ: 90°
• Cell volume: 10363.8 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No