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Information card for entry 4084845
Preview
| Coordinates | 4084845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H37 Br Fe N4 O P2 |
|---|---|
| Calculated formula | C20 H37 Br Fe N4 O P2 |
| Title of publication | Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism |
| Authors of publication | Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 23 |
| Pages of publication | 6905 |
| a | 16.083 ± 0.003 Å |
| b | 19.993 ± 0.003 Å |
| c | 31.806 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10227 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0496 |
| Weighted residual factors for all reflections included in the refinement | 0.0505 |
| Goodness-of-fit parameter for significantly intense reflections | 3.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.77 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209531 (current) | 2018-08-10 | cif/4/ Removing duplicate rows from the ATOM_TYPE loop in entries 4027882, 4063366, 4072663, 4072770, 4072771, 4074460, 4075100, 4076241, 4076242, 4076244, 4077512, 4080938, 4081765, 4082054, 4082696, 4084845, 4101406, 4101407, 4101408, 4107704, 4108487, 4109677. |
4084845.cif |
| 201208 | 2017-09-25 | cif/ Removing the _symmetry_equiv_pos_* loops from entries 1542354, 2104869, 2104870, 2105299, 2221169, 2239860, 2310787, 2240938, 4030545, 4084480, 4084845, 4345557, 7111951, 7154122, 7223026 since identical information is alrady provided in the _space_group_symop_* loops. |
4084845.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4084845.cif |
| 131497 | 2015-02-08 | cif/ Updating files of 4084845, 4084846, 4084847, 4084848, 4084849, 4084850 Original log message: Adding full bibliography for 4084845--4084850.cif. |
4084845.cif |
| 127759 | 2014-11-21 | cif/ Adding structures of 4084845, 4084846, 4084847, 4084848, 4084849, 4084850 via cif-deposit CGI script. |
4084845.cif |
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Users of the data should acknowledge the original authors of the
structural data.