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Information card for entry 4071773
Preview
| Coordinates | 4071773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44.5 H36.25 F3 Mo O6.12 S |
|---|---|
| Calculated formula | C44.5 H36.25 F3 Mo O6.125 S |
| Title of publication | Ionic Hydrogenation of Ketones with Molybdenum Pentabenzylcyclopentadienyl Hydride Catalysts |
| Authors of publication | Namorado, Sónia; Antunes, Maria Augusta; Veiros, Luis F.; Ascenso, José R.; Duarte, M. Teresa; Martins, Ana M. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 4589 - 4599 |
| a | 10.096 ± 0.0019 Å |
| b | 17.894 ± 0.004 Å |
| c | 22.843 ± 0.005 Å |
| α | 90° |
| β | 98.102 ± 0.006° |
| γ | 90° |
| Cell volume | 4085.6 ± 1.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0802 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1744 |
| Weighted residual factors for all reflections included in the refinement | 0.2068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| 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 |
|---|---|---|---|
| 210316 (current) | 2018-09-01 | cif/4/ Updating bibliography in entries 4071773-4071775, 4082271. Marking entry 4082271 as a duplicate of entry 4071775. |
4071773.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4071773.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071773.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071773.cif |
| 44030 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071773 via cif-deposit CGI script. |
4071773.cif |
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Users of the data should acknowledge the original authors of the
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