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Information card for entry 8102036
Preview
| Coordinates | 8102036.cif |
|---|---|
| External links | PubChem |
| Chemical name | tetrakis[(4-methyl-pyridin-2-yl)-trimethylsilanyl-amido]zirconium(IV) |
|---|---|
| Formula | C36 H60 N8 Si4 Zr |
| Calculated formula | C36 H60 N8 Si4 Zr |
| SMILES | c1cc(cc2[n]1[Zr]134(N2[Si](C)(C)C)(N(c2cc(cc[n]23)C)[Si](C)(C)C)(N(c2cc(cc[n]24)C)[Si](C)(C)C)[n]2ccc(cc2N1[Si](C)(C)C)C)C |
| Title of publication | Crystal structure of tetrakis[(4-methyl-pyridin-2-yl)tri-methylsilanyl- amido]zirconium(IV), Zr(C~9~H~15~N~2~Si)~4~ |
| Authors of publication | Noor, A.; Irrgang, T.; Kempe, R. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 415 - 418 |
| a | 12.036 ± 0.0006 Å |
| b | 18.804 ± 0.0009 Å |
| c | 21.581 ± 0.0011 Å |
| α | 69.448 ± 0.004° |
| β | 75.278 ± 0.004° |
| γ | 88.159 ± 0.004° |
| Cell volume | 4414.5 ± 0.4 Å3 |
| Cell temperature | 191 ± 2 K |
| Ambient diffraction temperature | 191 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102036.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102036.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102036.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102036.cif |
| 12775 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8102036 via cif-deposit CGI script. |
8102036.cif |
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