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Information card for entry 4080938
Preview
| Coordinates | 4080938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H34 F6 Fe N3 O2 P2 Sb |
|---|---|
| Calculated formula | C19 H34 F6 Fe N3 O2 P2 Sb |
| Title of publication | Heterolytic Cleavage of Dihydrogen by an Iron(II) PNP Pincer Complex via Metal‒Ligand Cooperation |
| Authors of publication | Bichler, Bernhard; Holzhacker, Christian; Stöger, Berthold; Puchberger, Michael; Veiros, Luis F.; Kirchner, Karl |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 15 |
| Pages of publication | 4114 |
| a | 10.8864 ± 0.0005 Å |
| b | 14.8347 ± 0.0007 Å |
| c | 16.8177 ± 0.0008 Å |
| α | 90° |
| β | 94.269 ± 0.002° |
| γ | 90° |
| Cell volume | 2708.5 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.0616 |
| Goodness-of-fit parameter for significantly intense reflections | 3.42 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.87 |
| 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. |
4080938.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4080938.cif |
| 87956 | 2013-08-27 | cif/ Adding structures of 4080938, 4080939 via cif-deposit CGI script. |
4080938.cif |
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Users of the data should acknowledge the original authors of the
structural data.