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Information card for entry 2234303
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| Coordinates | 2234303.cif |
|---|---|
| Structure factors | 2234303.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tricarbonylchlorido(η^5^-cyclopentadienyl)molybdenum(II) |
|---|---|
| Formula | C8 H5 Cl Mo O3 |
| Calculated formula | C8 H5 Cl Mo O3 |
| SMILES | [Mo]1234(Cl)(C#[O])(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15 |
| Title of publication | Tricarbonylchlorido(η^5^-cyclopentadienyl)molybdenum(II) |
| Authors of publication | Ogweno, Aloice O.; Onani, Martin O. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m364 |
| a | 6.4958 ± 0.0006 Å |
| b | 11.7671 ± 0.001 Å |
| c | 12.508 ± 0.0011 Å |
| α | 90° |
| β | 100.064 ± 0.002° |
| γ | 90° |
| Cell volume | 941.36 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0427 |
| Weighted residual factors for all reflections included in the refinement | 0.0455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (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 2/23/43. |
2234303.cif 2234303.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. |
2234303.cif 2234303.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234303.cif 2234303.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234303.cif 2234303.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234303.cif 2234303.hkl |
| 55571 | 2012-05-05 | cif/ Adding structures of 2234303 via cif-deposit CGI script. |
2234303.cif |
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Users of the data should acknowledge the original authors of the
structural data.