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Information card for entry 4063295
Preview
| Coordinates | 4063295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H33 Mo O4 P S2 W |
|---|---|
| Calculated formula | C29 H33 Mo O4 P S2 W |
| SMILES | [W]1234567([Mo]([S]1CCCC)([S]2CCCC)([P]3(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]71 |
| Title of publication | Activation of the S‒S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5 |
| Authors of publication | Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 2 |
| Pages of publication | 440 - 446 |
| a | 25.9712 ± 0.0013 Å |
| b | 27.1377 ± 0.0012 Å |
| c | 17.1272 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12071.2 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.393 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209984 (current) | 2018-08-20 | cif/4/ Updating bibliography in entries 4063295, 4074641. Marking entry 4074641 as a duplicate of entry 4063295. |
4063295.cif |
| 201926 | 2017-10-12 | cif/ Updating space group information in entries 4020059, 4063232, 4063295, 7101380, 7101537. |
4063295.cif |
| 120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4063295.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063295.cif |
| 21579 | 2011-06-23 | smi/4 Adding SMILES of structures with atoms in special positions, with a few minor fixes in the corresponding CIFs. Also a few CIFs completed with data downloaded from Inorg. Chem. |
4063295.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4063295.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4063295.cif |
| 38 | 2008-01-28 | Adding CIF files from the xyz-extraction/deposit/deposition-2008.01.28/cif/ directory. (Chemistry_Letters-2005-issues10-12 and Organometallics-2006-2007-issue2 ) |
4063295.cif |
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