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Information card for entry 1505480
Preview
| Coordinates | 1505480.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97.5 H73.5 Li3 N7.5 O6 Yb |
|---|---|
| Calculated formula | C97.5 H73.5 Li3 N7.5 O6 Yb |
| SMILES | [Yb]123([O](c4ccc5c(cccc5)c4c4c5ccccc5ccc4[O]1[Li]1([n]4ccccc4)[n]4ccccc4)[Li]4([n]5ccccc5)[n]5ccccc5)([O](c5ccc6c(cccc6)c5c5c6c(ccc5[O]21)cccc6)[Li]1[n]2ccccc2)([O]4c2ccc4c(c2c2c5ccccc5ccc2[O]31)cccc4)[n]1ccccc1.n1ccccc1.n1ccccc1 |
| Title of publication | Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts. |
| Authors of publication | Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J. |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 17 |
| Pages of publication | 3359 - 3362 |
| a | 17.988 ± 0.0006 Å |
| b | 31.6872 ± 0.001 Å |
| c | 14.5672 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8303.1 ± 0.5 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.1524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215051 (current) | 2019-05-13 | cif/1 Fixing Z values and formulae |
1505480.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505480.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505480.cif |
| 45656 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505480 via cif-deposit CGI script. |
1505480.cif |
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Users of the data should acknowledge the original authors of the
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