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Information card for entry 2017973
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| Coordinates | 2017973.cif |
|---|---|
| Structure factors | 2017973.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tricarbonyl(η^5^-cyclopentadienyl)(trifluorohydroxyborato)tungsten |
|---|---|
| Formula | C8 H6 B F3 O4 W |
| Calculated formula | C8 H6 B F3 O4 W |
| SMILES | [W]1234([OH][B](F)(F)F)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])C#[O] |
| Title of publication | Tricarbonyl(η^5^-cyclopentadienyl)(trifluorohydroxyborato)tungsten |
| Authors of publication | Roll, Joachim; Tewes, Heiko; Castillo Soto, Eduardo; Oñate Rodríguez, Enrique |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m43 - m45 |
| a | 10.7679 ± 0.0017 Å |
| b | 8.5489 ± 0.0014 Å |
| c | 11.4313 ± 0.0018 Å |
| α | 90° |
| β | 95.297 ± 0.002° |
| γ | 90° |
| Cell volume | 1047.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0234 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0425 |
| Weighted residual factors for all reflections included in the refinement | 0.0434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180848 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/79. |
2017973.cif 2017973.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017973.cif 2017973.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017973.cif 2017973.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. | 2017973.cif 2017973.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017973.cif 2017973.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2017973.cif 2017973.hkl |
| 12054 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2017973 via cif-deposit CGI script. |
2017973.cif |
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Users of the data should acknowledge the original authors of the
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