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Information card for entry 4071942
Preview
| Coordinates | 4071942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H28 F8 N2 Ni P2 |
|---|---|
| Calculated formula | C46 H28 F8 N2 Ni P2 |
| SMILES | [Ni]1([n]2c(c3[n]1cccc3)cccc2)(c1c(P(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F)c1c(P(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F |
| Title of publication | A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings |
| Authors of publication | Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5361 |
| a | 14.8947 ± 0.0004 Å |
| b | 16.9283 ± 0.0004 Å |
| c | 15.86 ± 0.0005 Å |
| α | 90° |
| β | 101.692 ± 0.002° |
| γ | 90° |
| Cell volume | 3916 ± 0.19 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.059 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071942.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071942.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071942.cif |
| 44135 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071936, 4071937, 4071938, 4071939, 4071940, 4071941, 4071942, 4071943, 4071944 via cif-deposit CGI script. |
4071942.cif |
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Users of the data should acknowledge the original authors of the
structural data.