Information card for entry 4069247

Structure parameters

• Formula: C14 H19 B F4 Mo N2 O2 Si
• Calculated formula: C14 H19 B F4 Mo N2 O2 Si
• SMILES: [Mo]1234([cH]5[c]4([cH]3[cH]2[cH]15)[Si](C)(C)C)(C#[O])(C#[O])([N]#CC)[N]#CC.[B](F)(F)(F)[F-]
• Title of publication: Ring-Functionalized Molybdenocene Complexes
• Authors of publication: Honzíček, Jan; Mukhopadhyay, Abhik; Santos-Silva, Teresa; Romão, Maria J.; Romão, Carlos C.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2871
• a: 6.8769 ± 0.0002 Å
• b: 16.9608 ± 0.0004 Å
• c: 16.8468 ± 0.0004 Å
• α: 90°
• β: 100.407 ± 0.001°
• γ: 90°
• Cell volume: 1932.65 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No