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Information card for entry 4063570
Preview
| Coordinates | 4063570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H43 B F15 Hf N O P2 |
|---|---|
| Calculated formula | C65 H43 B F15 Hf N O P2 |
| SMILES | C[Hf]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)([cH]1[cH]5[cH]6[cH]7[cH]81)O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Investigation of the Reactivity of Hydroxyborate Salts with Group IV Metal Complexes: Synthesis and Structural Characterization of the Zirconium and Hafnium Ionic Complexes [PPN]+[Cp2MMe(OB(C6F5)3)]− |
| Authors of publication | Kelsen, Vinciane; Vallée, Christophe; Jeanneau, Erwann; Bibal, Christine; Santini, Catherine C.; Chauvin, Yves; Olivier-Bourbigou, Hélène |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 16 |
| Pages of publication | 4284 |
| a | 12.4775 ± 0.0004 Å |
| b | 13.2598 ± 0.0005 Å |
| c | 18.9597 ± 0.0008 Å |
| α | 106.314 ± 0.003° |
| β | 100.432 ± 0.003° |
| γ | 105.73 ± 0.003° |
| Cell volume | 2783.2 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0616 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for all reflections | 0.1201 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9628 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4063570.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063570.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063570.cif |
| 25631 | 2011-09-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4063568, 4063569, 4063570 via cif-deposit CGI script. |
4063570.cif |
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Users of the data should acknowledge the original authors of the
structural data.