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Information card for entry 7113801
Preview
Coordinates | 7113801.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Sc(HC(Me2pz)3)(O-2,6-C6H3Me2)3) . 4 (C6H6) |
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Chemical name | [Sc{HC(Me2pz)3}(O-2,6-C6H3Me2)3] . 4 (C6H6) |
Formula | C64 H73 N6 O3 Sc |
Calculated formula | C64 H73 N6 O3 Sc |
SMILES | Cc1cc(C)n2C3n4c(cc(C)[n]4[Sc](Oc4c(C)cccc4C)([n]12)([n]1c(cc(C)n31)C)(Oc1c(cccc1C)C)Oc1c(cccc1C)C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
Title of publication | Highly efficient ethylene polymerisation by scandium alkyls supported by neutral fac-?3 coordinated N3 donor ligandsElectronic supplementary information (ESI) available: experimental details, characterising data, crystallographic data for 5 and GPC data. See http://www.rsc.org/suppdata/cc/b3/b310867h/ |
Authors of publication | Lawrence, Sally C.; Ward, Benjamin D.; Dubberley, Stuart R.; Kozak, Christopher M.; Mountford, Philip |
Journal of publication | Chemical Communications |
Year of publication | 2003 |
Journal issue | 23 |
Pages of publication | 2880 |
a | 14.7505 ± 0.0006 Å |
b | 14.7505 ± 0.0006 Å |
c | 15.417 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2904.99 ± 0.18 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 159 |
Hermann-Mauguin space group symbol | P 3 1 c |
Hall space group symbol | P 3 -2c |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for all reflections included in the refinement | 0.0557 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0265 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7113801.html
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