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Information card for entry 2238385
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| Coordinates | 2238385.cif |
|---|---|
| Structure factors | 2238385.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(furan-2-yl)phosphane-κ<i>P</i>]molybdenum(II) |
|---|---|
| Formula | C21 H17 Mo O6 P |
| Calculated formula | C21 H17 Mo O6 P |
| SMILES | [Mo]1234([P](c5occc5)(c5occc5)c5occc5)(C(=O)C)(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15 |
| Title of publication | <i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(furan-2-yl)phosphane-κ<i>P</i>]molybdenum(II) |
| Authors of publication | Whited, Matthew T.; Bakker-Arkema, Julia G.; Greenwald, Julia E.; Morrill, Lucas A.; Janzen, Daron E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | m475 - m476 |
| a | 8.05 ± 0.002 Å |
| b | 15.762 ± 0.004 Å |
| c | 16.073 ± 0.004 Å |
| α | 90° |
| β | 102.852 ± 0.008° |
| γ | 90° |
| Cell volume | 1988.3 ± 0.9 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238385.cif 2238385.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238385.cif 2238385.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238385.cif 2238385.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238385.cif 2238385.hkl |
| 88228 | 2013-09-04 | cif/ Adding structures of 2238385 via cif-deposit CGI script. |
2238385.cif |
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