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Information card for entry 7016428
Preview
Coordinates | 7016428.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H25 Cl2 N2 V |
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Calculated formula | C18 H25 Cl2 N2 V |
SMILES | c12c3cccc2C[N]([V]1([N](C3)(C)C)(Cl)Cl)(C)C.c1ccccc1 |
Title of publication | Mono N,C,N-pincer complexes of titanium, vanadium and niobium. Synthesis, structure and catalytic activity in olefin polymerisation. |
Authors of publication | Chuchuryukin, Alexey V.; Huang, Rubin; van Faassen, Ernst E.; van Klink, Gerard P. M.; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 35 |
Pages of publication | 8887 - 8895 |
a | 8.1127 ± 0.0003 Å |
b | 16.9371 ± 0.0007 Å |
c | 14.3078 ± 0.0004 Å |
α | 90° |
β | 98.975 ± 0.002° |
γ | 90° |
Cell volume | 1941.9 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0377 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0693 |
Weighted residual factors for all reflections included in the refinement | 0.0734 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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