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Information card for entry 4307554
Preview
| Coordinates | 4307554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H60 N2 Si2 Zr2 |
|---|---|
| Calculated formula | C40 H60 N2 Si2 Zr2 |
| SMILES | [Zr]123456789%10([N]%11[Zr]%12%13%14%15%16%17%18%19%20([N]1=%11)[c]1([Si]([c]%11%16[c]%17([c]%18([c]%19([c]%20%11C)C)C)C)(C)C)[cH]%12[c]%13([cH]%14[cH]%151)C(C)(C)C)[c]1([Si]([c]%116[c]7([c]8([c]9([c]%10%11C)C)C)C)(C)C)[cH]2[cH]3[c]4([cH]51)C(C)(C)C |
| Title of publication | Diazene Dehydrogenation Follows H2 Addition to Coordinated Dinitrogen in anansa-Zirconocene Complex |
| Authors of publication | Tamara E. Hanna; Ivan Keresztes; Emil Lobkovsky; Paul J. Chirik |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 1675 - 1683 |
| a | 11.2903 ± 0.0006 Å |
| b | 26.3223 ± 0.0015 Å |
| c | 13.6173 ± 0.0008 Å |
| α | 90° |
| β | 96.767 ± 0.001° |
| γ | 90° |
| Cell volume | 4018.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0712 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179113 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/75. |
4307554.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307554.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307554.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307554.cif |
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