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Information card for entry 2019610
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| Coordinates | 2019610.cif |
|---|---|
| Structure factors | 2019610.hkl |
| Original IUCr paper | HTML |
| Common name | 7018 |
|---|---|
| Chemical name | Bis[(1,2,3,3a,10a,10b-η)-pyrene]vanadium(0) |
| Formula | C32 H20 V |
| Calculated formula | C32 H20 V |
| Title of publication | Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals |
| Authors of publication | Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| a | 9.4905 ± 0.0008 Å |
| b | 9.4969 ± 0.0008 Å |
| c | 11.4851 ± 0.001 Å |
| α | 90° |
| β | 100.306 ± 0.002° |
| γ | 90° |
| Cell volume | 1018.45 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019610.cif 2019610.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019610.cif 2019610.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019610.cif 2019610.hkl |
| 119001 | 2014-07-05 | cif/ hkl/ Adding structures of 2019610, 2019611, 2019612 via cif-deposit CGI script. |
2019610.cif 2019610.hkl |
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Users of the data should acknowledge the original authors of the
structural data.