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Information card for entry 7055765
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Coordinates | 7055765.cif |
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Original paper (by DOI) | HTML |
Common name | H(bimcaAllyl)2HBr |
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Chemical name | 3,6-Di-tert-butyl-1,8-bis(3-(1-allyl)imidazolium)carbazole dibromide |
Formula | C35 H49 Br2 N5 O2 |
Calculated formula | C35 H49 Br2 N5 O2 |
Title of publication | Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes |
Authors of publication | Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris |
Journal of publication | New J. Chem. |
Year of publication | 2016 |
Journal volume | 40 |
Journal issue | 11 |
Pages of publication | 9160 |
a | 13.3028 ± 0.0015 Å |
b | 17.311 ± 0.002 Å |
c | 16.0809 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3703.2 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0785 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.1023 |
Weighted residual factors for all reflections included in the refinement | 0.1155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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