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Information card for entry 4071007
Preview
| Coordinates | 4071007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H35 Mo2 O2 P Se3 |
|---|---|
| Calculated formula | C25 H35 Mo2 O2 P Se3 |
| SMILES | C12(C(=O)[Se]3[Mo]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[Mo]145623([cH]2[cH]6[cH]5[cH]4[cH]12)([P]8(C1CCCCC1)C1CCCCC1)[Se][Se]9)OC |
| Title of publication | Multisite Reactivity of the Unsaturated Methoxycarbyne Complex [Mo2(η5-C5H5)2(µ-COMe)(µ-PCy2)(µ-CO)] |
| Authors of publication | García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 2 |
| Pages of publication | 169 |
| a | 23.367 ± 0.002 Å |
| b | 23.367 ± 0.002 Å |
| c | 9.183 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4342.3 ± 1.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178599 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/10. |
4071007.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071007.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071007.cif |
| 42977 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071006, 4071007, 4071008 via cif-deposit CGI script. |
4071007.cif |
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Users of the data should acknowledge the original authors of the
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