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Information card for entry 2239011
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| Coordinates | 2239011.cif |
|---|---|
| Structure factors | 2239011.hkl |
| Original IUCr paper | HTML |
| Common name | trans-Mo(CO)4(PPh3)2 |
|---|---|
| Chemical name | <i>trans</i>-Tetracarbonylbis(triphenylphosphane-κ<i>P</i>)molybdenum(0) |
| Formula | C40 H30 Mo O4 P2 |
| Calculated formula | C40 H30 Mo O4 P2 |
| SMILES | C(#[O])[Mo](C#[O])(C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | <i>trans</i>-Tetracarbonylbis(triphenylphosphane-κ<i>P</i>)molybdenum(0) |
| Authors of publication | Waldhart, Greyson W.; Mankad, Neal P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m36 |
| a | 9.3443 ± 0.0013 Å |
| b | 10.2267 ± 0.0015 Å |
| c | 10.7258 ± 0.0016 Å |
| α | 64.794 ± 0.004° |
| β | 69.417 ± 0.004° |
| γ | 83.699 ± 0.004° |
| Cell volume | 867.2 ± 0.2 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0238 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0561 |
| Weighted residual factors for all reflections included in the refinement | 0.0575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239011.cif 2239011.hkl |
| 181309 | 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 2/23/90. |
2239011.cif 2239011.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. |
2239011.cif 2239011.hkl |
| 104843 | 2014-03-11 | cif/ hkl/ Adding structures of 2239011 via cif-deposit CGI script. |
2239011.cif 2239011.hkl |
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Users of the data should acknowledge the original authors of the
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