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Information card for entry 4116976
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Coordinates | 4116976.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H16 Mo |
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Calculated formula | C12 H16 Mo |
Title of publication | Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes |
Authors of publication | Li-Sheng Wang; James C. Fettinger; Rinaldo Poli |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1997 |
Journal volume | 119 |
Pages of publication | 4453 - 4464 |
a | 11.9689 ± 0.0006 Å |
b | 11.6175 ± 0.0011 Å |
c | 7.4177 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1031.42 ± 0.14 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 3 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for all reflections | 0.0865 |
Weighted residual factors for significantly intense reflections | 0.0838 |
Goodness-of-fit parameter for all reflections | 1.143 |
Goodness-of-fit parameter for significantly intense reflections | 1.158 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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