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Information card for entry 4085454
Preview
| Coordinates | 4085454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Decacarbonyl-μ-(4-bromophenyl-di-(4-(ethoxy-methylidene)-phenyl)-amino)- di-tungsten |
|---|---|
| Formula | C34 H22 Br N O12 W2 |
| Calculated formula | C34 H22 Br N O12 W2 |
| SMILES | [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1ccc(N(c2ccc(C(=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])OCC)cc2)c2ccc(Br)cc2)cc1 |
| 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 | 19.5309 ± 0.0013 Å |
| b | 22.5776 ± 0.0015 Å |
| c | 7.9946 ± 0.0005 Å |
| α | 90° |
| β | 90.262 ± 0.002° |
| γ | 90° |
| Cell volume | 3525.3 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0493 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.0829 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4085454.cif |
| 178743 | 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. |
4085454.cif |
| 132966 | 2015-03-04 | cif/ Updating files of 4085452, 4085453, 4085454, 4085455, 4085456 Original log message: Adding full bibliography for 4085452--4085456.cif. |
4085454.cif |
| 131209 | 2015-02-06 | cif/ Adding structures of 4085452, 4085453, 4085454, 4085455, 4085456 via cif-deposit CGI script. |
4085454.cif |
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Users of the data should acknowledge the original authors of the
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