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Information card for entry 2241428
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| Coordinates | 2241428.cif |
|---|---|
| Structure factors | 2241428.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-chlorido-bis[chloridobis(tri-<i>tert</i>-butylphosphane)zinc] |
|---|---|
| Formula | C24 H54 Cl4 P2 Zn2 |
| Calculated formula | C24 H54 Cl4 P2 Zn2 |
| SMILES | CC(C)([P]([Zn]1(Cl)[Cl][Zn]([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([Cl]1)Cl)(C(C)(C)C)C(C)(C)C)C |
| Title of publication | Crystal structures of three complexes of zinc chloride with tri-<i>tert</i>-butylphosphane |
| Authors of publication | Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 35 - 39 |
| a | 14.6408 ± 0.0016 Å |
| b | 12.9891 ± 0.0014 Å |
| c | 16.819 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3198.5 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193.15 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.101 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241428.cif 2241428.hkl |
| 176638 | 2016-02-17 | cif/ Updating files of 2241428, 2241429, 2241430 Original log message: Adding full bibliography for 2241428--2241430.cif. |
2241428.cif 2241428.hkl |
| 176585 | 2016-02-17 | cif/ Updating files of 2241428, 2241429, 2241430 Original log message: Adding full bibliography for 2241428--2241430.cif. |
2241428.cif 2241428.hkl |
| 171641 | 2015-12-20 | cif/ hkl/ Adding structures of 2241428, 2241429, 2241430 via cif-deposit CGI script. |
2241428.cif 2241428.hkl |
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