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Information card for entry 7033626
Preview
| Coordinates | 7033626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 14161a |
|---|---|
| Chemical name | [Et4N][Cr(CO)3{6-(PhBP3)Cr(CO)3}] |
| Formula | C61 H66 B Cr2 N O6.5 P3 |
| Calculated formula | C61 H66 B Cr2 N O6.5 P3 |
| SMILES | [Cr]12([P](C[B](C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)[c]12[Cr]3456([cH]1[cH]3[cH]4[cH]5[cH]26)(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC.O(CC)CC |
| Title of publication | Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent. |
| Authors of publication | Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 8 |
| Pages of publication | 3737 - 3744 |
| a | 13.9914 ± 0.0017 Å |
| b | 22.205 ± 0.003 Å |
| c | 18.059 ± 0.002 Å |
| α | 90° |
| β | 91.07 ± 0.001° |
| γ | 90° |
| Cell volume | 5609.6 ± 1.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0345 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192220 (current) | 2017-02-17 | cif/7 Fixing Z values and formulae |
7033626.cif |
| 180042 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/36. |
7033626.cif |
| 133420 | 2015-03-06 | cif/ Updating files of 7033620, 7033621, 7033622, 7033623, 7033624, 7033625, 7033626, 7033627, 7033628, 7033629, 7033630 Original log message: Adding full bibliography for 7033620--7033630.cif. |
7033626.cif |
| 129573 | 2015-01-13 | cif/ Adding structures of 7033620, 7033621, 7033622, 7033623, 7033624, 7033625, 7033626, 7033627, 7033628, 7033629, 7033630 via cif-deposit CGI script. |
7033626.cif |
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Users of the data should acknowledge the original authors of the
structural data.