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Information card for entry 2240025
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| Coordinates | 2240025.cif |
|---|---|
| Structure factors | 2240025.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>trans</i>-Acetyldicarbonyl-(<i>η</i>^5^-cyclopentadienyl)-\\ (dimethylphenylphosphine)-molybdenum(II) |
|---|---|
| Formula | C17 H19 Mo O3 P |
| Calculated formula | C17 H19 Mo O3 P |
| SMILES | [Mo]1234([P](C)(C)c5ccccc5)(C#[O])(C#[O])(C(=O)C)[cH]5[cH]1[cH]2[cH]3[cH]45 |
| Title of publication | Crystal structures of <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(dimethylphenylphosphane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(ethyldiphenylphosphane)molybdenum(II) |
| Authors of publication | Whited, Matthew T.; Hofmeister, Gretchen E.; Hodges, Connor J.; Jensen, Laramie T.; Keyes, Samuel H.; Ngamnithiporn, Aurapat; Janzen, Daron E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 216 - 220 |
| a | 16.374 ± 0.002 Å |
| b | 6.8898 ± 0.001 Å |
| c | 15.208 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1715.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0435 |
| Weighted residual factors for all reflections included in the refinement | 0.0447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240025.cif 2240025.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240025.cif 2240025.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240025.cif 2240025.hkl |
| 124371 | 2014-09-28 | cif/ hkl/ Adding structures of 2240025, 2240026 via cif-deposit CGI script. |
2240025.cif 2240025.hkl |
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