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Information card for entry 4067704
Preview
| Coordinates | 4067704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H23 B9 Fe S |
|---|---|
| Calculated formula | C10 H23 B9 Fe S |
| SMILES | [Fe]12345678(C9C[CH]4=[CH]3[CH]2=[CH]19)[CH]123[CH]495[BH]5%102[BH]2%11%12[BH]%1315[BH]15%12[BH]%12%14%11[BH]4%102[B]69%12([S](C)C)[BH]71%14[BH]83%135 |
| Title of publication | Ferracarborane Benzene Complexes [(η-9-L-7,8-C2B9H10)Fe(η-C6H6)]+(L = SMe2, NMe3): Synthesis, Reactivity, Electrochemistry, Mössbauer Effect Studies, and Bonding |
| Authors of publication | Kudinov, Alexander R.; Zanello, Piero; Herber, Rolfe H.; Loginov, Dmitry A.; Vinogradov, Mikhail M.; Vologzhanina, Anna V.; Starikova, Zoya A.; Corsini, Maddalena; Giorgi, Gianluca; Nowik, Israel |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 10 |
| Pages of publication | 2260 |
| a | 8.8361 ± 0.0004 Å |
| b | 12.1482 ± 0.0006 Å |
| c | 14.5361 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1560.34 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0235 |
| Weighted residual factors for significantly intense reflections | 0.0602 |
| Weighted residual factors for all reflections included in the refinement | 0.0612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178568 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/77. |
4067704.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067704.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067704.cif |
| 34271 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067704 via cif-deposit CGI script. |
4067704.cif |
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Users of the data should acknowledge the original authors of the
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