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Information card for entry 4073802
Preview
| Coordinates | 4073802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H39 Mo2 O6 P |
|---|---|
| Calculated formula | C30 H39 Mo2 O6 P |
| SMILES | [Mo]123456([P](C7CCCCC7)(C7CCCCC7)[Mo]789%10%11(C#[O])([CH](C(=[O]1)OC)=[C]38C(=O)OC)[cH]1[cH]9[cH]%10[cH]%11[cH]71)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]21 |
| Title of publication | Alkenyl Derivatives of the Unsaturated Dimolybdenum Hydride Complex [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2] |
| Authors of publication | Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 23 |
| Pages of publication | 5454 |
| a | 9.7517 ± 0.0004 Å |
| b | 16.2182 ± 0.0006 Å |
| c | 18.3839 ± 0.0006 Å |
| α | 90° |
| β | 91.547 ± 0.002° |
| γ | 90° |
| Cell volume | 2906.45 ± 0.19 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0678 |
| Weighted residual factors for all reflections included in the refinement | 0.0728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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 |
|---|---|---|---|
| 178627 (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 4/07/38. |
4073802.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073802.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073802.cif |
| 46554 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073799, 4073800, 4073801, 4073802 via cif-deposit CGI script. |
4073802.cif |
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Users of the data should acknowledge the original authors of the
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