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Information card for entry 7016940
Preview
Coordinates | 7016940.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H31 Br2 N4 O2 Rh |
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Calculated formula | C19 H31 Br2 N4 O2 Rh |
SMILES | C12N(C=CN1CCCN1C(N(C=C1)CCCC)=[Rh]1=2([O]=C(C)O1)(Br)Br)CCCC |
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 | 11.8107 ± 0.0011 Å |
b | 12.052 ± 0.0009 Å |
c | 16.1426 ± 0.0016 Å |
α | 90° |
β | 95.827 ± 0.012° |
γ | 90° |
Cell volume | 2285.9 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0431 |
Weighted residual factors for all reflections included in the refinement | 0.0486 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.673 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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