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Information card for entry 4070095
Preview
| Coordinates | 4070095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H43 N4 O0 P S2 Zr |
|---|---|
| Calculated formula | C36 H43 N4 P S2 Zr |
| SMILES | c1(ccccc1)[P]12c3c(ccs3)N(c3c(cc(cc3C)C)C)[Zr]2(N(c2c1scc2)c1c(cc(cc1C)C)C)(N(C)C)N(C)C |
| 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 | 34.159 ± 0.004 Å |
| b | 14.2705 ± 0.0016 Å |
| c | 15.7812 ± 0.0018 Å |
| α | 90° |
| β | 101.325 ± 0.005° |
| γ | 90° |
| Cell volume | 7543 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0563 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 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. |
4070095.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070095.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070095.cif |
| 40596 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070095 via cif-deposit CGI script. |
4070095.cif |
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Users of the data should acknowledge the original authors of the
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