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Information card for entry 4072129
Preview
| Coordinates | 4072129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H15 I N4 O4 W |
|---|---|
| Calculated formula | C15 H15 I N4 O4 W |
| SMILES | C(#[O])[W]12(C#[O])(C#[O])(C(=O)C(n3c(cc(C)[n]13)C)n1c(cc(C)[n]21)C)I |
| Title of publication | Bis(3,5-dimethylpyrazol-1-yl)acyl and Bis(3,5-dimethylpyrazol-1-yl)methide Carbonyl Tungsten Derivatives |
| Authors of publication | Xie, Yun-Fu; Wen, Zhen-Kang; Tan, Run-Yu; Hong, Juan; Zhao, Shu-Bin; Tang, Liang-Fu |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5684 |
| a | 7.1875 ± 0.0013 Å |
| b | 14.16 ± 0.003 Å |
| c | 9.0408 ± 0.0016 Å |
| α | 90° |
| β | 97.959 ± 0.003° |
| γ | 90° |
| Cell volume | 911.3 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072129.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072129.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072129.cif |
| 44253 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072128, 4072129, 4072130, 4072131 via cif-deposit CGI script. |
4072129.cif |
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Users of the data should acknowledge the original authors of the
structural data.