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Information card for entry 4112095
Preview
| Coordinates | 4112095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Dipp*GeGe(CNt-Bu)Dipp*.n-hexane |
|---|---|
| Formula | C71 H96 Ge2 N |
| Calculated formula | C71 H96 Ge2 N |
| SMILES | [Ge]([Ge]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C=NC(C)(C)C.CCCCCC |
| Title of publication | Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds |
| Authors of publication | Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 17530 - 17541 |
| a | 14.585 ± 0.003 Å |
| b | 18.3 ± 0.004 Å |
| c | 24.129 ± 0.005 Å |
| α | 90° |
| β | 90.03 ± 0.03° |
| γ | 90° |
| Cell volume | 6440 ± 2 Å3 |
| Cell temperature | 91 ± 2 K |
| Ambient diffraction temperature | 91 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.114 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.1835 |
| Weighted residual factors for all reflections included in the refinement | 0.1961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4112095.cif |
| 178891 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/20. |
4112095.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112095.cif |
| 63715 | 2012-08-06 | cif/ Adding structures of 4112095 via cif-deposit CGI script. |
4112095.cif |
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Users of the data should acknowledge the original authors of the
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