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Information card for entry 4070759
Preview
| Coordinates | 4070759.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H3 B2 Br4 Mn O3 |
|---|---|
| Calculated formula | C8 H3 B2 Br4 Mn O3 |
| SMILES | [Mn]1234([c]5(B(Br)Br)[cH]1[c]2(B(Br)Br)[cH]3[cH]45)(C#[O])(C#[O])C#[O] |
| Title of publication | Synthesis and Structural Characterization of the Diborylated Organometallics 1,3-Bis(dibromoboryl)-1′,2′,3′,4′,5′-(pentamethyl)ferrocene and 1,3-Bis(dibromoboryl)cymantrene |
| Authors of publication | Eckensberger, U. David; Kunz, Kerstin; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 764 |
| a | 6.7882 ± 0.0011 Å |
| b | 10.6733 ± 0.0019 Å |
| c | 11.313 ± 0.002 Å |
| α | 100.226 ± 0.014° |
| β | 105.977 ± 0.014° |
| γ | 105.209 ± 0.013° |
| Cell volume | 732.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0823 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.168 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178596 (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 4/07/07. |
4070759.cif |
| 132087 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'. |
4070759.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070759.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070759.cif |
| 42679 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070759 via cif-deposit CGI script. |
4070759.cif |
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