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Information card for entry 4072201
Preview
Coordinates | 4072201.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 12, C2H4(Flu)(5,6-C3H6-2-2MeInd)Hf(Cl)CH2SiMe3 |
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Chemical name | (chloro)(9-[2-(2-methyl-5,6,7-trihydroindacen-1-yl)ethyl]-fluorenyl) (trimethylsilylmethyl)hafnium |
Formula | C32 H35 Cl Hf Si |
Calculated formula | C32 H35 Cl Hf Si |
SMILES | [Hf]123456789(Cl)(C[Si](C)(C)C)[c]%10([c]%111[c]2(cccc%11)[c]13[c]4%10cccc1)CC[c]15[c]6([cH]7[c]28cc3c(CCC3)c[c]912)C |
Title of publication | Formation and Structures of Hafnocene Complexes in MAO- and AlBui3/CPh3[B(C6F5)4]-Activated Systems |
Authors of publication | Bryliakov, Konstantin P.; Talsi, Evgenii P.; Voskoboynikov, Alexander Z.; Lancaster, Simon J.; Bochmann, Manfred |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 23 |
Pages of publication | 6333 |
a | 17.2434 ± 0.0006 Å |
b | 10.037 ± 0.0003 Å |
c | 17.8692 ± 0.0005 Å |
α | 90° |
β | 116.194 ± 0.002° |
γ | 90° |
Cell volume | 2775.06 ± 0.16 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0837 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.0951 |
Weighted residual factors for all reflections included in the refinement | 0.1036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
Diffraction radiation wavelength | 0.71073 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/4072201.html
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Users of the data should acknowledge the original authors of the
structural data.