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Information card for entry 7041452
Preview
Coordinates | 7041452.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H45 Ga N2 |
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Calculated formula | C30 H45 Ga N2 |
SMILES | [Ga](C)(C)(C)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C |
Title of publication | Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights. |
Authors of publication | Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 3 |
Pages of publication | 854 - 864 |
a | 16.6315 ± 0.0008 Å |
b | 19.4897 ± 0.001 Å |
c | 19.2354 ± 0.001 Å |
α | 90° |
β | 111.432 ± 0.0016° |
γ | 90° |
Cell volume | 5803.9 ± 0.5 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1061 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.1319 |
Weighted residual factors for all reflections included in the refinement | 0.1875 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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