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Information card for entry 4075564
Preview
| Coordinates | 4075564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C109.5 H101 Cl O7 P6 W2 |
|---|---|
| Calculated formula | C109.5 H101 Cl O7 P6 W2 |
| SMILES | [W]12([P](C#CCCCCCC#C[P]([W]([P](C#CCCCCCC#C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C#CCCCCCC#C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].C(Cl)Cl.O(CC)CC |
| Title of publication | Synthesis of Ph2PC⋮C(CH2)5C⋮CPPh2Ligand and Its Complexation with Tungsten Carbonyls to Form a Dinuclear Paddle-Wheel and a Tetranuclear Tripodal Compound |
| Authors of publication | Shiue, Tsun-Wei; Yeh, Wen-Yann; Lee, Gene-Hsiang; Peng, Shie-Ming |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 17 |
| Pages of publication | 4150 |
| a | 21.1762 ± 0.0006 Å |
| b | 22.3612 ± 0.0006 Å |
| c | 41.0111 ± 0.001 Å |
| α | 90° |
| β | 90.3001 ± 0.0008° |
| γ | 90° |
| Cell volume | 19419.5 ± 0.9 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 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 | 0.0779 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4075564.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075564.cif |
| 49314 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075564 via cif-deposit CGI script. |
4075564.cif |
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Users of the data should acknowledge the original authors of the
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