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Information card for entry 4105318
Preview
| Coordinates | 4105318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H29 B Fe2 |
|---|---|
| Calculated formula | C26 H29 B Fe2 |
| SMILES | B([c]12[Fe]3456789([cH]([cH]8[cH]19)[cH]23)[cH]1[cH]4[cH]5[cH]6[cH]71)([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)C1CCCCC1 |
| 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 | 7.4731 ± 0.0011 Å |
| b | 29.742 ± 0.005 Å |
| c | 9.3452 ± 0.0018 Å |
| α | 90° |
| β | 90.12 ± 0.014° |
| γ | 90° |
| Cell volume | 2077.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1359 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1323 |
| Weighted residual factors for all reflections included in the refinement | 0.1544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.811 |
| 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. |
4105318.cif |
| 132087 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'. |
4105318.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105318.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105318.cif |
| 30513 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105318 via cif-deposit CGI script. |
4105318.cif |
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Users of the data should acknowledge the original authors of the
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