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Information card for entry 4071367
Preview
| Coordinates | 4071367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H26 Mo N9 O9 P W |
|---|---|
| Calculated formula | C36 H26 Mo N9 O9 P W |
| SMILES | [W]([P]12c3[n]([Mo]([n]4nn(cc14)c1ccccc1)([n]1nn(cc21)c1ccccc1)(C#[O])(C#[O])C#[O])nn(c3)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].O1CCCC1 |
| Title of publication | Phospha-Scorpionate Complexes by Click Chemistry using Phenyl Azide and Ethynylphosphine Oxides |
| Authors of publication | van Assema, Sander G. A.; Tazelaar, Cornelis G. J.; de Jong, G. Bas; van Maarseveen, Jan H.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Slootweg, J. Chris; Lammertsma, Koop |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3210 |
| a | 10.87209 ± 0.00006 Å |
| b | 17.3152 ± 0.0002 Å |
| c | 29.607 ± 0.0006 Å |
| α | 90° |
| β | 98.052 ± 0.001° |
| γ | 90° |
| Cell volume | 5518.64 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.041 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178602 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/13. |
4071367.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071367.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071367.cif |
| 43168 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071365, 4071366, 4071367 via cif-deposit CGI script. |
4071367.cif |
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