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Information card for entry 7052068
Preview
Coordinates | 7052068.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H30 Cl2 N4 Zn |
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Calculated formula | C29 H30 Cl2 N4 Zn |
SMILES | [n]12[Zn]3([n]4c(c2cccc1)cccc4c1[n]3c(ccc1)/C(=N/c1c(cccc1C(C)C)C(C)C)C)(Cl)Cl |
Title of publication | Factors affecting imine coordination in (iminoterpyridine)MX2 (M = Fe, Co, Ni, Zn): synthesis, structures, DFT calculations and ethylene oligomerisation studies |
Authors of publication | Yohan D. M. Champouret; Jean-Didier Maréchal; Rajinder K. Chaggar; John Fawcett; Kuldip Singh; Feliu Maseras; Gregory A. Solan |
Journal of publication | New Journal of Chemistry |
Year of publication | 2007 |
Journal volume | 31 |
Journal issue | 1 |
Pages of publication | 75 |
a | 10.2739 ± 0.0019 Å |
b | 10.5553 ± 0.0019 Å |
c | 12.623 ± 0.002 Å |
α | 94.301 ± 0.003° |
β | 101.922 ± 0.003° |
γ | 96.325 ± 0.003° |
Cell volume | 1324.5 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1004 |
Weighted residual factors for all reflections included in the refinement | 0.1055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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