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Information card for entry 2240465
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| Coordinates | 2240465.cif |
|---|---|
| Structure factors | 2240465.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(η^5^-cyclopentadienyl)(1,4-di-<i>tert</i>-butylbuta-1-en-3-yn-1-yl)zirconium(IV) μ~2~-hydroxido-bis[tris(pentafluorophenyl)borate] |
|---|---|
| Formula | C58 H30 B2 F30 O Zr |
| Calculated formula | C58 H30 B2 F30 O Zr |
| Title of publication | Crystal structure of bis(η^5^-cyclopentadienyl)(1,4-di-<i>tert</i>-butylbuta-1-en-3-yn-1-yl)zirconium(IV) μ~2~-hydroxido-bis[tris(pentafluorophenyl)borate] |
| Authors of publication | Burlakov, Vladimir V.; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | m71 - m72 |
| a | 12.8896 ± 0.0005 Å |
| b | 13.6334 ± 0.0005 Å |
| c | 16.5466 ± 0.0006 Å |
| α | 86.73 ± 0.003° |
| β | 75.389 ± 0.003° |
| γ | 77.581 ± 0.003° |
| Cell volume | 2747.84 ± 0.18 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.839 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240465.cif 2240465.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240465.cif 2240465.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240465.cif 2240465.hkl |
| 132569 | 2015-02-28 | cif/ hkl/ Adding structures of 2240465 via cif-deposit CGI script. |
2240465.cif 2240465.hkl |
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Users of the data should acknowledge the original authors of the
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