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Information card for entry 4067387
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4067387.cif |
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Original paper (by DOI) | HTML |
Formula | C55 H42 F N4 Rh |
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Calculated formula | C55 H42 F N4 Rh |
SMILES | [Rh]123(Cc4ccc(F)cc4)n4c5=C(c6ccc(=C(c7ccc(C(=c8ccc(C(=c4cc5)c4ccc(cc4)C)[n]18)c1ccc(cc1)C)n27)c1ccc(cc1)C)[n]36)c1ccc(cc1)C |
Title of publication | Selective Activation of Benzylic Carbon−Hydrogen Bonds of Toluenes with Rhodium(III) Porphyrin Methyl: Scope and Mechanism |
Authors of publication | Choi, Kwong Shing; Chiu, Peng Fai; Chan, Kin Shing |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 3 |
Pages of publication | 624 |
a | 13.8745 ± 0.0019 Å |
b | 22.056 ± 0.003 Å |
c | 15.471 ± 0.002 Å |
α | 90° |
β | 96.123 ± 0.003° |
γ | 90° |
Cell volume | 4707.4 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0468 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0823 |
Weighted residual factors for all reflections included in the refinement | 0.0891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4067387.html
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Users of the data should acknowledge the original authors of the
structural data.