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Information card for entry 7113379
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| Coordinates | 7113379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (mu- (1,2:2 - eta - 1,1-ditertbutyldiphosphene) bis(dicyclopentadienatochlorozirconium)) |
|---|---|
| Chemical name | [μ- (1,2:2 - η - 1,1-ditertbutyldiphosphene) bis(dicyclopentadienatochlorozirconium)] |
| Formula | C28 H38 Cl2 P2 Zr2 |
| Calculated formula | C28 H38 Cl2 P2 Zr2 |
| SMILES | [Zr]12345678(Cl)([cH]9[cH]4[cH]3[cH]2[cH]19)([cH]1[cH]5[cH]6[cH]7[cH]81)P([Zr]12345678(Cl)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51)P(C(C)(C)C)C(C)(C)C |
| 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 | 10.7489 ± 0.0004 Å |
| b | 23.9432 ± 0.001 Å |
| c | 11.5529 ± 0.0005 Å |
| α | 90° |
| β | 102.026 ± 0.003° |
| γ | 90° |
| Cell volume | 2908 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0228 |
| Residual factor for significantly intense reflections | 0.0206 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections included in the refinement | 0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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. |
7113379.cif |
| 114611 | 2014-05-28 | cif/ Adding structures of 7113379, 7113380 via cif-deposit CGI script. |
7113379.cif |
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