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Information card for entry 7023738
Preview
| Coordinates | 7023738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tris(N-(2,6-dimethylphenyl)naphthylamidate) mono(dimethylamido) zirconium, 4 |
|---|---|
| Formula | C71 H78 N4 O3 Zr |
| Calculated formula | C71 H78 N4 O3 Zr |
| SMILES | C1(=[N](c2c(C(C)C)cccc2C(C)C)[Zr]23([N](c4c(C(C)C)cccc4C(C)C)=C(c4cccc5ccccc45)O2)([N](c2c(C(C)C)cccc2C(C)C)=C(c2cccc4ccccc24)O3)(N(C)C)O1)c1cccc2ccccc12 |
| Title of publication | Synthesis, structure, and reactivity of tris(amidate) mono(amido) and tetrakis(amidate) complexes of group 4 transition metals. |
| Authors of publication | Payne, Philippa R.; Thomson, Robert K.; Medeiros, Diane M.; Wan, Geoff; Schafer, Laurel L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 44 |
| Pages of publication | 15670 - 15677 |
| a | 11.9659 ± 0.0008 Å |
| b | 12.552 ± 0.0008 Å |
| c | 23.178 ± 0.002 Å |
| α | 87.864 ± 0.002° |
| β | 84.741 ± 0.002° |
| γ | 67.35 ± 0.003° |
| Cell volume | 3199.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0894 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179942 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/37. |
7023738.cif |
| 90620 | 2013-11-18 | cif/ Adding structures of 7023736, 7023737, 7023738, 7023739, 7023740 via cif-deposit CGI script. |
7023738.cif |
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Users of the data should acknowledge the original authors of the
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