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Information card for entry 4075251
Preview
Coordinates | 4075251.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H25 O5 P W |
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Calculated formula | C21 H25 O5 P W |
SMILES | [W]([P@@]12CC(=C(C[C@@H]1[C@H](CC(=C(C2)C)C)C=C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@]12CC(=C(C[C@H]1[C@@H](CC(=C(C2)C)C)C=C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Electronic Structure and Evolution of a Terminal Butadienylphosphinidene Complex |
Authors of publication | Tran Huy, Ngoc Hoa; Hao, Shaojie; Ricard, Louis; Mathey, François |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 13 |
Pages of publication | 3152 |
a | 8.32 ± 0.001 Å |
b | 10.293 ± 0.001 Å |
c | 14.189 ± 0.001 Å |
α | 91.399 ± 0.001° |
β | 95.902 ± 0.001° |
γ | 112.739 ± 0.001° |
Cell volume | 1112 ± 0.19 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0261 |
Residual factor for significantly intense reflections | 0.0241 |
Weighted residual factors for significantly intense reflections | 0.0618 |
Weighted residual factors for all reflections included in the refinement | 0.0629 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4075251.html
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Users of the data should acknowledge the original authors of the
structural data.