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Information card for entry 7038473
Preview
Coordinates | 7038473.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H36 N O3 P3 W |
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Calculated formula | C42 H36 N O3 P3 W |
SMILES | [W]12([P](CN(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O] |
Title of publication | Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0). |
Authors of publication | Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 13 |
Pages of publication | 5536 - 5548 |
a | 10.2345 ± 0.00011 Å |
b | 19.2654 ± 0.0003 Å |
c | 18.4601 ± 0.0002 Å |
α | 90° |
β | 94.9551 ± 0.0009° |
γ | 90° |
Cell volume | 3626.21 ± 0.08 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0264 |
Residual factor for significantly intense reflections | 0.0215 |
Weighted residual factors for significantly intense reflections | 0.0492 |
Weighted residual factors for all reflections included in the refinement | 0.0516 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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