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Information card for entry 4071771
Preview
| Coordinates | 4071771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 Co Si2 |
|---|---|
| Calculated formula | C14 H20 Co Si2 |
| SMILES | [Co]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[Si](C)(C)[Si]([c]15[cH]6[cH]7[cH]8[cH]91)(C)C |
| Title of publication | Synthesis, Crystal Structure, EPR and DFT Studies, and Redox Properties of [2]Tetramethyldisilacobaltocenophane |
| Authors of publication | Braunschweig, Holger; Breher, Frank; Kaupp, Martin; Gross, Manuela; Kupfer, Thomas; Nied, Dominik; Radacki, Krzysztof; Schinzel, Sandra |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 24 |
| Pages of publication | 6427 |
| a | 8.2595 ± 0.0003 Å |
| b | 10.3127 ± 0.0005 Å |
| c | 8.5719 ± 0.0004 Å |
| α | 90° |
| β | 90.38 ± 0.002° |
| γ | 90° |
| Cell volume | 730.12 ± 0.06 Å3 |
| Cell temperature | 99 ± 2 K |
| Ambient diffraction temperature | 99 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0195 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for significantly intense reflections | 0.0519 |
| Weighted residual factors for all reflections included in the refinement | 0.0626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17. |
4071771.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071771.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071771.cif |
| 44028 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071771 via cif-deposit CGI script. |
4071771.cif |
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Users of the data should acknowledge the original authors of the
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