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Information card for entry 4064208
Preview
| Coordinates | 4064208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H42 Mo3 O9 P2 |
|---|---|
| Calculated formula | C32 H42 Mo3 O9 P2 |
| SMILES | [Mo]12345([P](C6CCCCC6)(C6CCCCC6)[Mo]6789(C3[Mo]([P](OC)(OC)OC)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])[cH]3[cH]9[cH]6[cH]7[cH]83)(C#[O])[cH]3[cH]1[cH]2[cH]5[cH]43 |
| Title of publication | Binuclear Carbyne and Ketenyl Derivatives of the Alkyl-Bridged Complexes [Mo2(η5-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph) |
| Authors of publication | Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Martínez, M. Eugenia; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 8 |
| Pages of publication | 2189 |
| a | 23.7133 ± 0.001 Å |
| b | 10.2228 ± 0.0003 Å |
| c | 31.4145 ± 0.0004 Å |
| α | 90° |
| β | 113.877 ± 0.003° |
| γ | 90° |
| Cell volume | 6963.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1767 |
| Residual factor for significantly intense reflections | 0.1342 |
| Weighted residual factors for significantly intense reflections | 0.3307 |
| Weighted residual factors for all reflections included in the refinement | 0.3499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| 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 |
|---|---|---|---|
| 178536 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/42. |
4064208.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064208.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064208.cif |
| 32816 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064207, 4064208, 4064209 via cif-deposit CGI script. |
4064208.cif |
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