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Information card for entry 4085452
Preview
| Coordinates | 4085452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Pentacarbonyl-diphenylphosphinephen-diyl-ethoxymethylene-chromium |
|---|---|
| Formula | C26 H19 Cr N O6 |
| Calculated formula | C26 H19 Cr N O6 |
| SMILES | [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1ccc(cc1)N(c1ccccc1)c1ccccc1 |
| Title of publication | Fischer-Type Carbene Complexes of Tris(1,4-phenylene)amines and Tri(2-furyl)phosphine |
| Authors of publication | Weststrate, Nora-ann; Fernández, Israel; Liles, David C.; van Jaarsveld, Nina; Lotz, Simon |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 4 |
| Pages of publication | 696 |
| a | 9.2423 ± 0.0006 Å |
| b | 9.779 ± 0.0007 Å |
| c | 13.6276 ± 0.0009 Å |
| α | 82.98 ± 0.001° |
| β | 71.653 ± 0.001° |
| γ | 82.6 ± 0.001° |
| Cell volume | 1154.95 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0457 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178743 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/54. |
4085452.cif |
| 132966 | 2015-03-04 | cif/ Updating files of 4085452, 4085453, 4085454, 4085455, 4085456 Original log message: Adding full bibliography for 4085452--4085456.cif. |
4085452.cif |
| 131209 | 2015-02-06 | cif/ Adding structures of 4085452, 4085453, 4085454, 4085455, 4085456 via cif-deposit CGI script. |
4085452.cif |
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