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Information card for entry 4314814
Preview
| Coordinates | 4314814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H70 Cl4 N2 P8 W2 |
|---|---|
| Calculated formula | C30 H70 Cl4 N2 P8 W2 |
| SMILES | C(#C[W]12([P](C)(C)CC[P]1(C)C)([P](C)(C)CC[P]2(C)C)Cl)[W]12([P](CC[P]1(C)C)(C)C)([P](C)(C)CC[P]2(C)C)Cl.N#CC.[Cl-].N#CC.[Cl-] |
| Title of publication | Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W\τbC-C\τbW Backbones |
| Authors of publication | Jibin Sun; Sarah E. Shaner; Marya K. Jones; Daniel C. O'Hanlon; Jeffrey S. Mugridge; Michael D. Hopkins |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1687 - 1698 |
| a | 29.849 ± 0.006 Å |
| b | 10.4 ± 0.002 Å |
| c | 18.048 ± 0.004 Å |
| α | 90° |
| β | 121.12 ± 0.03° |
| γ | 90° |
| Cell volume | 4796 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.358 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179228 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/48. |
4314814.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314814.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314814.cif |
| 7957 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314814 via cif-deposit CGI script. |
4314814.cif |
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Users of the data should acknowledge the original authors of the
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