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Information card for entry 7010169
Preview
| Coordinates | 7010169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [{Zr(NMe2)2(C6H4(NSiMe3)2)}2] |
|---|---|
| Formula | C32 H68 N8 Si4 Zr2 |
| Calculated formula | C32 H68 N8 Si4 Zr2 |
| SMILES | c12c(cccc1)N([Zr]1(N2[Si](C)(C)C)([N]([Zr]2(N(c3c(cccc3)N2[Si](C)(C)C)[Si](C)(C)C)([N]1(C)C)N(C)C)(C)C)N(C)C)[Si](C)(C)C |
| Title of publication | Synthesis, structures and catalytic properties of chelating N,N '-bis(silylated) 1,2-benzenediamidozirconium(IV) chlorides [and a titanium(IV) analogue] and dimethylamides † |
| Authors of publication | Danièle, Stephane; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 1 |
| Pages of publication | 13 |
| a | 25.7431 ± 0.0004 Å |
| b | 10.1941 ± 0.0002 Å |
| c | 18.7501 ± 0.0004 Å |
| α | 90° |
| β | 116.877 ± 0.001° |
| γ | 90° |
| Cell volume | 4389.02 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7010169.cif |
| 179805 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/01. |
7010169.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010169.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010169.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010169.cif |
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Users of the data should acknowledge the original authors of the
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