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Information card for entry 2241618
Preview
| Coordinates | 2241618.cif |
|---|---|
| Structure factors | 2241618.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ~2~-9,10-bis(oxidoimino)phenanthrene]bis[μ~2~-10-(oxidoimino)phenanthrene-9-one oxime](phenanthrene-9,10-dione dioxime)trinickel(II) toluene disolvate |
|---|---|
| Formula | C84 H60 N10 Ni3 O10 |
| Calculated formula | C84 H60 N10 Ni3 O10 |
| Title of publication | Trinuclear nickel coordination complexes of phenanthrene-9,10-dione dioxime |
| Authors of publication | Williams, Owen M.; Cowley, Alan H. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 538 - 542 |
| a | 15.973 ± 0.003 Å |
| b | 18.639 ± 0.003 Å |
| c | 22.785 ± 0.004 Å |
| α | 90° |
| β | 101.757 ± 0.004° |
| γ | 90° |
| Cell volume | 6641 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0746 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1467 |
| Weighted residual factors for all reflections included in the refinement | 0.1507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.211 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241618.cif 2241618.hkl |
| 179692 | 2016-03-25 | cif/ hkl/ Adding structures of 2241618, 2241619 via cif-deposit CGI script. |
2241618.cif 2241618.hkl |
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Users of the data should acknowledge the original authors of the
structural data.