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Information card for entry 4067549
Preview
| Coordinates | 4067549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Zn{C(Me2pz)3}Cl |
|---|---|
| Formula | C16 H21 Cl N6 Zn |
| Calculated formula | C16 H21 Cl N6 Zn |
| SMILES | [Zn]12(Cl)[n]3n(c(cc3C)C)C(=n3n1c(cc3C)C)n1[n]2c(cc1C)C |
| Title of publication | Syntheses and Structural Diversity of Group 2 and Group 12 Tris(pyrazolyl)methaneand Zwitterionic Tris(pyrazolyl)methanideCompounds |
| Authors of publication | Cushion, Michael G.; Meyer, Jens; Heath, Alex; Schwarz, Andrew D.; Fernández, Ignacio; Breher, Frank; Mountford, Philip |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 5 |
| Pages of publication | 1174 |
| a | 7.8808 ± 0.0003 Å |
| b | 17.5757 ± 0.0006 Å |
| c | 13.2885 ± 0.0005 Å |
| α | 90° |
| β | 90.282 ± 0.0015° |
| γ | 90° |
| Cell volume | 1840.58 ± 0.12 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0856 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for all reflections | 0.0819 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0785 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4067549.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067549.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067549.cif |
| 34226 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067545, 4067546, 4067547, 4067548, 4067549, 4067550, 4067551, 4067552, 4067553, 4067554 via cif-deposit CGI script. |
4067549.cif |
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Users of the data should acknowledge the original authors of the
structural data.