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Information card for entry 4105322
Preview
| Coordinates | 4105322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H52 Ge |
|---|---|
| Calculated formula | C48 H52 Ge |
| SMILES | c1(c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[GeH2]c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination |
| Authors of publication | Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 16272 - 16282 |
| a | 20.701 ± 0.005 Å |
| b | 43.699 ± 0.011 Å |
| c | 8.231 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7446 ± 3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0673 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4105322.cif |
| 178799 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53. |
4105322.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105322.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105322.cif |
| 30517 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105322 via cif-deposit CGI script. |
4105322.cif |
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Users of the data should acknowledge the original authors of the
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