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Information card for entry 7011526
Preview
| Coordinates | 7011526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | compound 1 |
|---|---|
| Formula | C32 H73 Cl N8 P4 Zr |
| Calculated formula | C32 H73 Cl N8 P4 Zr |
| SMILES | [Zr]123(Cl)(N(C(C)(C)C)P4N(C(C)(C)C)P([N]34C(C)(C)C)N1C(C)(C)C)[P]1(N(C(C)(C)C)P(NC(C)(C)C)N1C(C)(C)C)N2C(C)(C)C |
| Title of publication | The formation of an imidozirconium compound by migration of the imido group from phosphorus to zirconium |
| Authors of publication | Bai, Guangcai; Roesky, Herbert W.; Noltemeyer, Mathias; Schmidt, Hans-Georg |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 12 |
| Pages of publication | 2437 - 2440 |
| a | 14.7679 ± 0.0016 Å |
| b | 19.227 ± 0.003 Å |
| c | 15.448 ± 0.002 Å |
| α | 90° |
| β | 91.732 ± 0.012° |
| γ | 90° |
| Cell volume | 4384.3 ± 1 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0495 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179819 (current) | 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 7/01/15. |
7011526.cif |
| 173443 | 2016-01-04 | cif/ (antanas@kurmis) Updating bibliographies for multiple entries. |
7011526.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011526.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011526.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7011526.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011526.cif |
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