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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063570.html
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Users of the data should acknowledge the original authors of the
structural data.