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Information card for entry 4322502
Preview
| Coordinates | 4322502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H84 Fe Li3 O12 |
|---|---|
| Calculated formula | C84 H84 Fe Li3 O12 |
| SMILES | [Fe]123([O]([Li]4([O]5CCCC5)[O]5CCCC5)c5c(c6ccccc6cc5)c5c([O]3[Li]3([O]6CCCC6)[O]6CCCC6)ccc6c5cccc6)([O]4c4c(c5c([O]2[Li]2([O]6CCCC6)[O]6CCCC6)ccc6c5cccc6)c5ccccc5cc4)[O]3c3c(c4c([O]12)ccc1c4cccc1)c1ccccc1cc3 |
| Title of publication | Syntheses, Crystal Structures, and CD Spectra of Simple Heterobimetallic Transition Metal Binaphtholates |
| Authors of publication | Ronald J. Cross; Louis J. Farrugia; Duncan R. McArthur; Robert D. Peacock; Douglas S. C. Taylor |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 5698 - 5702 |
| a | 14.8971 ± 0.0015 Å |
| b | 14.8971 ± 0.0015 Å |
| c | 19.2849 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3706.4 ± 0.6 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 182 |
| Hermann-Mauguin space group symbol | P 63 2 2 |
| Hall space group symbol | P 6c 2c |
| Residual factor for all reflections | 0.1331 |
| Residual factor for significantly intense reflections | 0.0843 |
| Weighted residual factors for significantly intense reflections | 0.219 |
| Weighted residual factors for all reflections included in the refinement | 0.254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179328 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/25. |
4322502.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322502.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322502.cif |
| 20784 | 2011-06-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4322502 via cif-deposit CGI script. |
4322502.cif |
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Users of the data should acknowledge the original authors of the
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