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Information card for entry 4069680
Preview
| Coordinates | 4069680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H47 B O Ru |
|---|---|
| Calculated formula | C49 H47 B O Ru |
| SMILES | O(CC)[c]12[c]34[Ru]56789%10%111([c]1([cH]5[cH]6[c]7([cH]8[cH]91)C)C(C)C)[c]12[c]%10(cccc1)[c]4%11cccc3.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Preparation of (η5-Alkoxyfluorenyl)(η6-p-Cymene)-Sandwich Ruthenium(II) Complexes |
| Authors of publication | Albertin, Gabriele; Antoniutti, Stefano; Callegaro, Fabio; Castro, Jesús |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 15 |
| Pages of publication | 4475 - 4479 |
| a | 12.0598 ± 0.0005 Å |
| b | 14.7273 ± 0.0008 Å |
| c | 21.7163 ± 0.0011 Å |
| α | 82.678 ± 0.003° |
| β | 80.261 ± 0.002° |
| γ | 88.684 ± 0.003° |
| Cell volume | 3770.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0982 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209824 (current) | 2018-08-17 | cif/4/ Updating bibliography in entries 4069680, 4083436. Marking entry 4083436 as a duplicate of entry 4069680. |
4069680.cif |
| 178585 | 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 4/06/96. |
4069680.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069680.cif |
| 91856 | 2013-12-15 | smi/4 Adding SMILES for a large bunch of metalocene compounds. |
4069680.cif |
| 40385 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069680 via cif-deposit CGI script. |
4069680.cif |
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Users of the data should acknowledge the original authors of the
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