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Information card for entry 4105316
Preview
| Coordinates | 4105316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H17 B Fe S |
|---|---|
| Calculated formula | C12 H17 B Fe S |
| SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[BH2][S](C)C)[cH]12[cH]5[cH]61[cH]7[cH]82 |
| Title of publication | Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers |
| Authors of publication | Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 16319 - 16329 |
| a | 16.2127 ± 0.0018 Å |
| b | 5.8859 ± 0.0009 Å |
| c | 25.442 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2427.8 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.787 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178799 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53. |
4105316.cif |
| 132087 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'. |
4105316.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105316.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105316.cif |
| 30511 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105316 via cif-deposit CGI script. |
4105316.cif |
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Users of the data should acknowledge the original authors of the
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