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Information card for entry 4116974
Preview
Coordinates | 4116974.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H16 Mo |
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Calculated formula | C12 H16 Mo |
SMILES | [Mo]123456789([cH]%10[cH]4[cH]3[cH]2[cH]1%10)([CH2]=[CH]5C6)[CH2]=[CH]7[CH]8=[CH2]9 |
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 | 12.4437 ± 0.0005 Å |
b | 7.3498 ± 0.0004 Å |
c | 12.0043 ± 0.0005 Å |
α | 90° |
β | 111.927 ± 0.003° |
γ | 90° |
Cell volume | 1018.48 ± 0.08 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0211 |
Residual factor for significantly intense reflections | 0.0163 |
Weighted residual factors for all reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.041 |
Goodness-of-fit parameter for all reflections | 1.065 |
Goodness-of-fit parameter for significantly intense reflections | 1.097 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4116974.html
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