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Information card for entry 4327595
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| Coordinates | 4327595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | LPic,MeZn(CF3COCHCOCF3) |
|---|---|
| Chemical name | Hydrotris(5-methyl-3-3'-(4-methyl)-pyridyl-pyrazol-1- yl)borato-zink-hexafloracetylacetonate |
| Formula | C37 H35 B F6 N10 O2 Zn |
| Calculated formula | C37 H35 B F6 N10 O2 Zn |
| Title of publication | Pyrazolylborate-Zinc-Hydrosulfide Complexes and Their Reactions |
| Authors of publication | Michael Rombach; Heinrich Vahrenkamp |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 6144 - 6150 |
| a | 12.135 ± 0.002 Å |
| b | 20.655 ± 0.004 Å |
| c | 15.792 ± 0.003 Å |
| α | 90° |
| β | 97.29 ± 0.03° |
| γ | 90° |
| Cell volume | 3926.2 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0998 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1315 |
| Weighted residual factors for all reflections included in the refinement | 0.1564 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295934 (current) | 2024-11-15 | Removed multiple data items that had the 'Y' or 'y' placeholder value. |
4327595.cif |
| 211413 | 2018-10-12 | cif/ Removing semicolons from the beginnings and ends of systematic chemical names in entries 1507326, 2004531, 2100684, 2103550, 2104944, 2205748, 4024455, 4327595, 4333569, 7040586. |
4327595.cif |
| 179378 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/75. |
4327595.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327595.cif |
| 61417 | 2012-07-04 | cif/ Adding structures of 4327595 via cif-deposit CGI script. |
4327595.cif |
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Users of the data should acknowledge the original authors of the
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