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Information card for entry 7014611
Preview
Coordinates | 7014611.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H33 F Mo O P2 |
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Calculated formula | C17 H33 F Mo O P2 |
SMILES | [Mo]1234([P](C)(C)C)([P](C)(C)C)(F)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)C#[O] |
Title of publication | Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands. |
Authors of publication | Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 1 |
Pages of publication | 47 - 55 |
a | 13.616 ± 0.002 Å |
b | 9.1616 ± 0.0015 Å |
c | 16.705 ± 0.003 Å |
α | 90° |
β | 94.271 ± 0.003° |
γ | 90° |
Cell volume | 2078.1 ± 0.6 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0469 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.1052 |
Weighted residual factors for all reflections included in the refinement | 0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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