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Information card for entry 4071621
Preview
| Coordinates | 4071621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DFB_I_177 |
|---|---|
| Chemical name | DFB_I_177 |
| Formula | C69 H98 Cl2 Mo2 O8 P4 |
| Calculated formula | C69 H98 Cl2 Mo2 O8 P4 |
| SMILES | [Mo]1([P](C2CCCCC2)(C2CCCCC2)c2ccc([P]([Mo]([P](c3ccc([P]1(C1CCCCC1)C1CCCCC1)cc3)(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])C#[O])(C1CCCCC1)C1CCCCC1)cc2)(C#[O])(C#[O])(C#[O])C#[O].ClCCl |
| Title of publication | Synthesis and Structure of Molybdenum and Tungsten Bisphosphine Carbonyl Dimers |
| Authors of publication | Brayton, Daniel F.; Heinekey, D. Michael |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3901 |
| a | 19.6088 ± 0.0004 Å |
| b | 14.9522 ± 0.0003 Å |
| c | 23.7674 ± 0.0005 Å |
| α | 90° |
| β | 94.8711 ± 0.0011° |
| γ | 90° |
| Cell volume | 6943.3 ± 0.2 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0886 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1699 |
| Weighted residual factors for all reflections included in the refinement | 0.204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (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 4/07/16. |
4071621.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4071621.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071621.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071621.cif |
| 43948 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071618, 4071619, 4071620, 4071621 via cif-deposit CGI script. |
4071621.cif |
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