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Information card for entry 4067705
Preview
| Coordinates | 4067705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H42 B10 Fe S |
|---|---|
| Calculated formula | C34 H42 B10 Fe S |
| SMILES | [Fe]123456789([CH]%10C1[CH]2=[CH]3[CH]4=[CH]5%10)[CH]123[CH]456[BH]6%102[BH]2%11%12[BH]%1316[BH]16%12[BH]%12%14%11[BH]4%102[B]75%12([S](C)C)[BH]81%14[BH]93%136.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 12.903 ± 0.004 Å |
| b | 15.953 ± 0.005 Å |
| c | 17.252 ± 0.004 Å |
| α | 90° |
| β | 111.018 ± 0.01° |
| γ | 90° |
| Cell volume | 3314.9 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1013 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| 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. |
4067705.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067705.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067705.cif |
| 34272 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067705 via cif-deposit CGI script. |
4067705.cif |
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