Information card for entry 4063731

Structure parameters

• Chemical name: Tp'(CO)~2~Mo(_-C)SiPh~3~'
• Formula: C36 H37 B Mo N6 O2 Si
• Calculated formula: C36 H37 B Mo N6 O2 Si
• SMILES: [Mo]12([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Group 14 Substituted Carbyne Complexes—An Almost Complete Set: [Mo(\τb CAPh3)(CO)2(Tp*)] (Tp* = Hydrotris(dimethylpyrazolyl)borate; A = Si, Ge, Sn, Pb but A ≠ C)
• Authors of publication: Cordiner, Richard L.; Hill, Anthony F.; Shang, Rong; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 1
• Pages of publication: 139
• a: 10.3477 ± 0.0002 Å
• b: 12.1245 ± 0.0003 Å
• c: 14.3177 ± 0.0003 Å
• α: 101.476 ± 0.0011°
• β: 91.0133 ± 0.0014°
• γ: 95.6878 ± 0.0013°
• Cell volume: 1750.44 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No