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Information card for entry 4070878
Preview
| Coordinates | 4070878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Cis-dibromo-cis(acetonitrilo-nitrosyl)-trans-bis(tricyclohexyl- phosphine)rhenium] tetrahydrofurane sesquisolvate |
|---|---|
| Formula | C88 H162 Br4 N4 O5 P4 Re2 |
| Calculated formula | C88 H162 Br4 N4 O5 P4 Re2 |
| Title of publication | Rhenium Nitrosyl Complexes for Hydrogenations and Hydrosilylations |
| Authors of publication | Choualeb, A.; Maccaroni, E.; Blacque, O.; Schmalle, H. W.; Berke, H. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3474 |
| a | 9.9073 ± 0.0012 Å |
| b | 14.117 ± 0.002 Å |
| c | 17.523 ± 0.002 Å |
| α | 106.501 ± 0.016° |
| β | 93.603 ± 0.015° |
| γ | 96.888 ± 0.016° |
| Cell volume | 2320.8 ± 0.6 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0932 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.688 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08. |
4070878.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070878.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070878.cif |
| 42818 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070877, 4070878, 4070879, 4070880 via cif-deposit CGI script. |
4070878.cif |
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Users of the data should acknowledge the original authors of the
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