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Information card for entry 4073747
Preview
| Coordinates | 4073747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H70 Hf Li2 N4 O4 |
|---|---|
| Calculated formula | C56 H70 Hf Li2 N4 O4 |
| SMILES | [Hf]12345[N]6(c7cc(cc(c7)C)C)[Li]7([O](C)CC[O]7C)[N]1(Cc1c3c(ccc1)C[N]2(c1cc(cc(c1)C)C)[Li]1([O](C)CC[O]1C)[N]4(Cc1c5c(ccc1)C6)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C |
| Title of publication | Synthesis and Characterization of (2,6-iPrNCN)HfCl2-and (3,5-MeNCN)2Hf2-(where NCN = 2,6-bis[phenylazanidyl]methylphenyl): New Trianionic Pincer Ligands |
| Authors of publication | Koller, Jürgen; Sarkar, Soumya; Abboud, Khalil A.; Veige, Adam S. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 22 |
| Pages of publication | 5438 |
| a | 39.443 ± 0.004 Å |
| b | 16.5027 ± 0.0017 Å |
| c | 16.2419 ± 0.0017 Å |
| α | 90° |
| β | 98.916 ± 0.002° |
| γ | 90° |
| Cell volume | 10444.4 ± 1.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0933 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.868 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178626 (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 4/07/37. |
4073747.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073747.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073747.cif |
| 46525 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073747 via cif-deposit CGI script. |
4073747.cif |
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Users of the data should acknowledge the original authors of the
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