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Information card for entry 7016939
Preview
Coordinates | 7016939.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H32 I2 N6 Rh |
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Calculated formula | C21 H32 I2 N6 Rh |
SMILES | C12=CN([C]N1CC1CN3C(N(C=C3)CCCC)=[Rh]21(I)([N]#CC)[N]#CC)CCCC.[I-] |
Title of publication | Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands. |
Authors of publication | Krüger, Anneke; Häller, L Jonas L; Müller-Bunz, Helge; Serada, Olha; Neels, Antonia; Macgregor, Stuart A.; Albrecht, Martin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 38 |
Pages of publication | 9911 - 9920 |
a | 16.7813 ± 0.0009 Å |
b | 11.0963 ± 0.0004 Å |
c | 14.6937 ± 0.0007 Å |
α | 90° |
β | 97.152 ± 0.004° |
γ | 90° |
Cell volume | 2714.8 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0389 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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