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Information card for entry 4066714
Preview
| Coordinates | 4066714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H90 Li4 N4 O6 P2 |
|---|---|
| Calculated formula | C60 H90 Li4 N4 O6 P2 |
| SMILES | [Li]([n]1c([C@H]2[Li]3([O](CC)CC)[C@H](P2c2ccccc2)c2[n](cccc2)[Li]2([O](CC)CC)[C@H](P([C@H]2c2[n]3cccc2)c2ccccc2)c2[n]([Li]([O](CC)CC)[O](CC)CC)cccc2)cccc1)([O](CC)CC)[O](CC)CC |
| Title of publication | Coordination Site SelectiveJanus HeadLigands† |
| Authors of publication | Objartel, Ina; Pott, Nils A.; John, Michael; Stalke, Dietmar |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5670 |
| a | 10.0715 ± 0.001 Å |
| b | 12.2596 ± 0.0012 Å |
| c | 13.7979 ± 0.0013 Å |
| α | 75.036 ± 0.003° |
| β | 81.385 ± 0.003° |
| γ | 71.331 ± 0.003° |
| Cell volume | 1555.1 ± 0.3 Å3 |
| Cell temperature | 99 ± 2 K |
| Ambient diffraction temperature | 99 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178559 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/67. |
4066714.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066714.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066714.cif |
| 33968 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066713, 4066714, 4066715 via cif-deposit CGI script. |
4066714.cif |
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Users of the data should acknowledge the original authors of the
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