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Information card for entry 2233699
Preview
| Coordinates | 2233699.cif |
|---|---|
| Structure factors | 2233699.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetracarbonyl[bis(diphenylphosphanyl)tetramethyldisiloxane- κ^2^<i>P</i>,<i>P</i>']chromium(0) |
|---|---|
| Formula | C32 H32 Cr O5 P2 Si2 |
| Calculated formula | C32 H32 Cr O5 P2 Si2 |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)[Cr](C#[O])(C#[O])(C#[O])(C#[O])[P](c2ccccc2)(c2ccccc2)[Si](C)(C)O[Si]1(C)C |
| Title of publication | Tetracarbonyl[bis(diphenylphosphanyl)tetramethyldisiloxane-κ^2^<i>P</i>,<i>P</i>']chromium(0) |
| Authors of publication | Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m119 |
| a | 9.2722 ± 0.0005 Å |
| b | 21.4148 ± 0.0015 Å |
| c | 16.5695 ± 0.0008 Å |
| α | 90° |
| β | 95.2 ± 0.004° |
| γ | 90° |
| Cell volume | 3276.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0564 |
| Weighted residual factors for all reflections included in the refinement | 0.0593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.786 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181258 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/36. |
2233699.cif 2233699.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233699.cif 2233699.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233699.cif 2233699.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233699.cif 2233699.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233699.cif 2233699.hkl |
| 38513 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233699 via cif-deposit CGI script. |
2233699.cif |
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Users of the data should acknowledge the original authors of the
structural data.