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Information card for entry 4106158
Preview
| Coordinates | 4106158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis[(μ~2~-deuterido)-bromo-(9,9-dimethyl-4,5-bis(diphenylphosphino)-9-\ silaxanthene-P,P')-nitrosyl-rhenium(I)] benzene dichloromethane solvate |
|---|---|
| Formula | C318 H278 Br8 Cl16 D8 N8 O16 P16 Re8 Si8 |
| Calculated formula | C318 H278 Br8 Cl16 D8 N8 O16 P16 Re8 Si8 |
| Title of publication | Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations |
| Authors of publication | Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 8168 - 8178 |
| a | 50.5101 ± 0.0015 Å |
| b | 13.0198 ± 0.0002 Å |
| c | 30.8241 ± 0.001 Å |
| α | 90° |
| β | 123.84 ± 0.004° |
| γ | 90° |
| Cell volume | 16836.9 ± 1.1 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 10 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.088 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178807 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/61. |
4106158.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106158.cif |
| 52949 | 2012-04-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4106158 via cif-deposit CGI script. |
4106158.cif |
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Users of the data should acknowledge the original authors of the
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