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Information card for entry 2241619
Preview
| Coordinates | 2241619.cif |
|---|---|
| Structure factors | 2241619.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ~2~-bis{[10-(oxidoimino)-9,10-dihydrophenanthren-9-ylidene]amino} difluoroborato)(phenanthrene-9,10-dione dioxime)trinickel(II) dichloromethane trisolvate |
|---|---|
| Formula | C73 H48 B2 Cl6 F4 N10 Ni3 O10 |
| Calculated formula | C70 H42 B2 F4 N10 Ni3 O10 |
| SMILES | C12C(=NO[Ni]34[N](=C5C(c6c(c7c5cccc7)cccc6)=[N]4O[B](O[N]=23)(F)F)O[Ni]2([N](=C3C(c4ccccc4c4ccccc34)=[N]2O)O)O[N]2[Ni]34[N](=C5C=2c2ccccc2c2ccccc52)O[B](O[N]3=C2C(=NO4)c3ccccc3c3ccccc23)(F)F)c2ccccc2c2ccccc12 |
| 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 | 15.6414 ± 0.0008 Å |
| b | 30.8358 ± 0.0011 Å |
| c | 14.738 ± 0.0008 Å |
| α | 90° |
| β | 112.411 ± 0.006° |
| γ | 90° |
| Cell volume | 6571.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1112 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.1914 |
| Weighted residual factors for all reflections included in the refinement | 0.2264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2241619.cif 2241619.hkl |
| 179692 | 2016-03-25 | cif/ hkl/ Adding structures of 2241618, 2241619 via cif-deposit CGI script. |
2241619.cif 2241619.hkl |
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