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Information card for entry 4122005
Preview
| Coordinates | 4122005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H21 F9 Mo2 O6 |
|---|---|
| Calculated formula | C28 H21 F9 Mo2 O6 |
| SMILES | [Mo]1234[Mo]([O]=C(O1)C(F)(F)F)([O]=C(O2)C(F)(F)F)(OC(=[O]3)C(F)(F)F)[C]1(=C(C(=CC=C1)C)c1c4c(ccc1)c1c(cccc1C)C)C |
| Title of publication | Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands. |
| Authors of publication | Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 25 |
| Pages of publication | 9173 - 9180 |
| a | 8.6722 ± 0.0004 Å |
| b | 14.788 ± 0.0006 Å |
| c | 23.1393 ± 0.001 Å |
| α | 90.411 ± 0.002° |
| β | 91.901 ± 0.002° |
| γ | 91.848 ± 0.001° |
| Cell volume | 2964.2 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0435 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.0687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179022 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/20. |
4122005.cif |
| 119131 | 2014-07-05 | cif/ Updating files of 4122003, 4122004, 4122005, 4122006, 4122007, 4122008, 4122009 Original log message: Adding full bibliography for 4122003--4122009.cif. |
4122005.cif |
| 116448 | 2014-06-12 | cif/ Adding structures of 4122003, 4122004, 4122005, 4122006, 4122007, 4122008, 4122009 via cif-deposit CGI script. |
4122005.cif |
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Users of the data should acknowledge the original authors of the
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