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Information card for entry 4335629
Preview
| Coordinates | 4335629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H64 Mn2 Mo4 O12 P6 |
|---|---|
| Calculated formula | C56 H64 Mn2 Mo4 O12 P6 |
| SMILES | [Mn]1([P]23[P]4([Mn]([P]56[P]71[Mo]189%105([P](C5CCCCC5)(C5CCCCC5)[Mo]5%11%12%1367(C#[O])[cH]6[cH]%11[cH]%13[cH]%12[cH]56)(C#[O])[cH]5[cH]1[cH]%10[cH]9[cH]85)(C#[O])(C#[O])(C#[O])C#[O])[Mo]15672([P](C2CCCCC2)(C2CCCCC2)[Mo]289%1034(C#[O])[cH]1[cH]8[cH]%10[cH]9[cH]21)(C#[O])[cH]2[cH]5[cH]6[cH]7[cH]21)(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Reactivity of the Anionic Diphosphorus Complex [Mo2Cp2(μ-PCy2)(μ-κ2:κ2-P2)(CO)2]- toward Phosphorus- and Transition Metal-Based Electrophiles |
| Authors of publication | M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Raquel Lozano; Alberto Ramos; Miguel A. Ruiz |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 9005 - 9018 |
| a | 19.11 ± 0.005 Å |
| b | 18.373 ± 0.005 Å |
| c | 21.129 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 114.284 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 6762 ± 3 Å3 |
| Cell temperature | 150 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 | 0.1274 |
| Residual factor for significantly intense reflections | 0.0941 |
| Weighted residual factors for significantly intense reflections | 0.2679 |
| Weighted residual factors for all reflections included in the refinement | 0.3096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179459 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/56. |
4335629.cif |
| 101564 | 2014-02-14 | cif/ Adding structures of 4335629 via cif-deposit CGI script. |
4335629.cif |
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Users of the data should acknowledge the original authors of the
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