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Information card for entry 7055147
Preview
| Coordinates | 7055147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 Mo N O3 |
|---|---|
| Calculated formula | C19 H21 Mo N O3 |
| SMILES | [Mo]123456(C#[O])([c]7(C(=O)NC(C)(C)C)[c]81[c]4(cccc8)[cH]2[cH]37)(C#[O])[CH](=[CH2]5)C6 |
| Title of publication | Novel indenyl ligands bearing electron-withdrawing functional groups |
| Authors of publication | Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 1 |
| Pages of publication | 245 |
| a | 15.7229 ± 0.0006 Å |
| b | 10.526 ± 0.0004 Å |
| c | 10.5021 ± 0.0007 Å |
| α | 90° |
| β | 96.03 ± 0.007° |
| γ | 90° |
| Cell volume | 1728.47 ± 0.15 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0637 |
| Weighted residual factors for all reflections included in the refinement | 0.0691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
7055147.cif |
| 176134 | 2016-02-05 | cif/ Updating files of 7055144, 7055145, 7055146, 7055147, 7055148, 7055149 Original log message: Adding full bibliography for 7055144--7055149.cif. |
7055147.cif |
| 169787 | 2015-10-28 | cif/ Adding structures of 7055144, 7055145, 7055146, 7055147, 7055148, 7055149 via cif-deposit CGI script. |
7055147.cif |
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Users of the data should acknowledge the original authors of the
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