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Information card for entry 4070096
Preview
| Coordinates | 4070096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H31 Cl2 N2 P S2 Zr |
|---|---|
| Calculated formula | C32 H31 Cl2 N2 P S2 Zr |
| SMILES | c12c(ccs2)N(c2c(cc(cc2C)C)C)[Zr]2(N(c3c([P]12c1ccccc1)scc3)c1c(cc(cc1C)C)C)(Cl)Cl |
| Title of publication | Synthesis and Characterization of a New Thiophene-Bridged Diamidophosphine [NPN] Donor Set and Its Coordination Chemistry with Zirconium(IV): Unexpected Deprotonation−Lithiation Sequence with a Mesitylaminothiophene Precursor |
| Authors of publication | Ménard, Gabriel; Jong, Howard; Fryzuk, Michael D. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 17 |
| Pages of publication | 5253 |
| a | 8.578 ± 0.005 Å |
| b | 19.944 ± 0.005 Å |
| c | 18.983 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 92.685 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 3244 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0919 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178589 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/00. |
4070096.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070096.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070096.cif |
| 40597 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070096 via cif-deposit CGI script. |
4070096.cif |
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Users of the data should acknowledge the original authors of the
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