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Information card for entry 4074264
Preview
| Coordinates | 4074264.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H49 Mo2 O2 P Sn |
|---|---|
| Calculated formula | C42 H49 Mo2 O2 P Sn |
| SMILES | [Sn]([Mo]12345([Mo]6789([PH](C%10CCCCC%10)C%10CCCCC%10)(C#[O])([cH]%10[cH]7[cH]8[cH]9[cH]6%10)[H]1)(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Dimolybdenum−Tin Derivatives of the Unsaturated Hydride [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2] and HSnR3(R = Ph, Bu): Bridging versus Terminal Coordination of the Triorganostannyl Group |
| Authors of publication | Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 22 |
| Pages of publication | 5374 |
| a | 11.427 ± 0.002 Å |
| b | 18.567 ± 0.003 Å |
| c | 18.542 ± 0.003 Å |
| α | 90° |
| β | 105.488 ± 0.003° |
| γ | 90° |
| Cell volume | 3791.1 ± 1.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0848 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| 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 |
|---|---|---|---|
| 178631 (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 4/07/42. |
4074264.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074264.cif |
| 48275 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074264, 4074265 via cif-deposit CGI script. |
4074264.cif |
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Users of the data should acknowledge the original authors of the
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