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Information card for entry 7014688
Preview
| Coordinates | 7014688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H50 N4 V2 |
|---|---|
| Calculated formula | C42 H50 N4 V2 |
| SMILES | c1(c(C)cccc1C)N1[V]234567[N](=C(C=C1C)C)[c]18[c]9([V]%10%11%12%131(N(c1c(C)cccc1C)C(=CC(=[N]%10[c]12[c]3(C)[cH]4[cH]5[cH]6[c]71C)C)C)[cH]9[cH]%11[cH]%12[c]8%13C)C |
| Title of publication | Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes. |
| Authors of publication | Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 10 |
| Pages of publication | 2324 - 2331 |
| a | 9.962 ± 0.0002 Å |
| b | 11.0806 ± 0.0002 Å |
| c | 16.8565 ± 0.0004 Å |
| α | 90° |
| β | 99.891 ± 0.001° |
| γ | 90° |
| Cell volume | 1833.05 ± 0.07 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1468 |
| Weighted residual factors for all reflections included in the refinement | 0.1636 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179850 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/46. |
7014688.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014688.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014688.cif |
| 14824 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014688, 7014689, 7014690, 7014691, 7014692, 7014693 via cif-deposit CGI script. |
7014688.cif |
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