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Information card for entry 4102751
Preview
| Coordinates | 4102751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H61 Hf2 N O2 Si2 |
|---|---|
| Calculated formula | C41 H61 Hf2 N O2 Si2 |
| Title of publication | Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation |
| Authors of publication | Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 10553 - 10564 |
| a | 11.1183 ± 0.0005 Å |
| b | 13.6916 ± 0.0006 Å |
| c | 16.4937 ± 0.0007 Å |
| α | 65.722 ± 0.002° |
| β | 84.756 ± 0.002° |
| γ | 71.372 ± 0.002° |
| Cell volume | 2166.52 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0369 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4102751.cif |
| 178773 | 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 4/10/27. |
4102751.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102751.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102751.cif |
| 25668 | 2011-09-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4102751 via cif-deposit CGI script. |
4102751.cif |
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Users of the data should acknowledge the original authors of the
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