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Information card for entry 4078077
Preview
| Coordinates | 4078077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H65 Hf N7 O |
|---|---|
| Calculated formula | C38 H65 Hf N7 O |
| SMILES | [Hf]123(Oc4c(C(C)(C)C)cc(C(C)(C)C)cc4N1c1ccccc1)([N](C(C)C)=C(N(C)C)N3C(C)C)[N](C(C)C)=C(N(C)C)N2C(C)C |
| Title of publication | Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands |
| Authors of publication | Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 8 |
| Pages of publication | 3228 |
| a | 14.3383 ± 0.0004 Å |
| b | 16.4928 ± 0.0004 Å |
| c | 17.3099 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4093.42 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0208 |
| Residual factor for significantly intense reflections | 0.0174 |
| Weighted residual factors for significantly intense reflections | 0.0399 |
| Weighted residual factors for all reflections included in the refinement | 0.0414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| 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 |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4078077.cif |
| 178669 | 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 4/07/80. |
4078077.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078077.cif |
| 57693 | 2012-05-18 | cif/ Adding structures of 4078073, 4078074, 4078075, 4078076, 4078077, 4078078, 4078079, 4078080, 4078081, 4078082 via cif-deposit CGI script. |
4078077.cif |
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Users of the data should acknowledge the original authors of the
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