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Information card for entry 7113380
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| Coordinates | 7113380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Dicyclopentapdienylo(phenyldimethylphosphane)(eta$1!-di-tert- butylphosphanylphosphinidene)zirconium |
|---|---|
| Chemical name | Dicyclopentapdienylo(phenyldimethylphosphane)(η^1^- di-tert-butylphosphanylphosphinidene)zirconium |
| Formula | C26 H39 P3 Zr |
| Calculated formula | C26 H39 P3 Zr |
| SMILES | [Zr]12345678(=PP(C(C)(C)C)C(C)(C)C)([P](C)(C)c9ccccc9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | A new synthetic entry to phosphinophosphinidene complexes. Synthesis and structural characterisation of the first side-on bonded and the first terminally bonded phosphinophosphinidene zirconium complexes [mu-(1,2:2-eta-tBu2P=P)[Zr(Cl)Cp2]2] and [[Zr(PPhMe2)Cp2](eta1)-P-PtBu2)]. |
| Authors of publication | Pikies, Jerzy; Baum, Elke; Matern, Eberhard; Chojnacki, Jaroslaw; Grubba, Rafal; Robaszkiewicz, Andrzej |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2004 |
| Journal issue | 21 |
| Pages of publication | 2478 - 2479 |
| a | 9.312 ± 0.002 Å |
| b | 11.574 ± 0.002 Å |
| c | 25.22 ± 0.005 Å |
| α | 78.91 ± 0.03° |
| β | 87.11 ± 0.03° |
| γ | 85.26 ± 0.03° |
| Cell volume | 2656.6 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1659 |
| Residual factor for significantly intense reflections | 0.1011 |
| Weighted residual factors for significantly intense reflections | 0.2533 |
| Weighted residual factors for all reflections included in the refinement | 0.3115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180247 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33. |
7113380.cif |
| 114611 | 2014-05-28 | cif/ Adding structures of 7113379, 7113380 via cif-deposit CGI script. |
7113380.cif |
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