Information card for entry 2007012

Structure parameters

• Chemical name: Cyclopentadienyltricarbonyltrimethylphosphinemolybdenum(II) tetrafluoroborate
• Formula: C11 H14 B F4 Mo O3 P
• Calculated formula: C11 H14 B F4 Mo O3 P
• Title of publication: Tricarbonyl(η^5^-cyclopentadienyl)(trimethylphosphine-<i>P</i>)molybdenum(II) Tetrafluoroborate
• Authors of publication: Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 181 - 183
• a: 14.8333 ± 0.0008 Å
• b: 7.601 ± 0.0009 Å
• c: 14.109 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1590.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.0686
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No