Information card for entry 4069248

Structure parameters

• Formula: C13 H13 B F4 Mo O3
• Calculated formula: C13 H13 B F4 Mo O3
• 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: 15.658 ± 0.003 Å
• b: 14.019 ± 0.003 Å
• c: 15.379 ± 0.003 Å
• α: 90°
• β: 119.87 ± 0.03°
• γ: 90°
• Cell volume: 2927.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.076
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No