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Information card for entry 4070609
Preview
| Coordinates | 4070609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H43 B7 Fe O2 P2 |
|---|---|
| Calculated formula | C19 H43 B7 Fe O2 P2 |
| SMILES | [Fe]12345([C]67(OC/C5=C(C)\[P+](CC)(CC)CC)[BH]581[BH]196[BH]627[BH]279[BH]981[BH]135[BH]462[CH]791)(C#[O])[P](CC)(CC)CC |
| Title of publication | A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies |
| Authors of publication | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 908 |
| a | 7.8468 ± 0.0005 Å |
| b | 20.1965 ± 0.0014 Å |
| c | 16.5178 ± 0.0011 Å |
| α | 90° |
| β | 98.123 ± 0.002° |
| γ | 90° |
| Cell volume | 2591.4 ± 0.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| 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 |
|---|---|---|---|
| 178595 (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 4/07/06. |
4070609.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070609.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070609.cif |
| 42588 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070604, 4070605, 4070606, 4070607, 4070608, 4070609 via cif-deposit CGI script. |
4070609.cif |
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Users of the data should acknowledge the original authors of the
structural data.