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Information card for entry 4082947
Preview
| Coordinates | 4082947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H32 Fe O2 Si3 |
|---|---|
| Calculated formula | C25 H32 Fe O2 Si3 |
| SMILES | [Fe]1234([Si](c5ccccc5)(C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[c]45[Si]([Si](C)(C)c1ccccc1)(C)C |
| Title of publication | A New Approach to Directly Synthesize (η5-C5H4R)Fe(CO)2SiR′3by Reaction of Cyclopentadienes with Pentacarbonyliron and Hydrosilanes |
| Authors of publication | Gu, Guangna; Luo, Haiou; Sun, Huailin |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1710 |
| a | 13.377 ± 0.007 Å |
| b | 6.651 ± 0.003 Å |
| c | 29.54 ± 0.014 Å |
| α | 90° |
| β | 95.677 ± 0.006° |
| γ | 90° |
| Cell volume | 2615 ± 2 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 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 all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.1792 |
| Weighted residual factors for all reflections included in the refinement | 0.1948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178718 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/29. |
4082947.cif |
| 109858 | 2014-04-17 | cif/ Updating files of 4082947 Original log message: Adding full bibliography for 4082947.cif. |
4082947.cif |
| 109780 | 2014-04-17 | cif/ (saulius@koala.ibt.lt) Restoring in bulk the COD CIFs that had their bibliographies update recently: svn merge -r109779:109651 . The problem was that: a) the COD deposition pipeline incorrectly folded some text fields; b) it removed last page number from some CIFs that had it before. An attempt to updated bibliographies will be repeated with corrected scripts. |
4082947.cif |
| 109729 | 2014-04-17 | cif/ Updating files of 4082947 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082947.cif. |
4082947.cif |
| 108890 | 2014-04-04 | cif/ Adding structures of 4082945, 4082946, 4082947 via cif-deposit CGI script. |
4082947.cif |
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Users of the data should acknowledge the original authors of the
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