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Information card for entry 4068815
Preview
Coordinates | 4068815.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H48 N6 Rh2 |
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Calculated formula | C48 H48 N6 Rh2 |
SMILES | [Rh]1234(n5[n]([Rh]678(n9[n]1c(c(n9)c1ccccc1)C(=C)c1ccccc1)[CH]1=[CH]6CC[CH]7=[CH]8CC1)c(c(n5)c1ccccc1)C(=C)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1 |
Title of publication | Synthesis and Characterization of NH-triazole-Bound Rhodium(I) Complexes: Substituted-Group-Controlled Regioselective Coordination |
Authors of publication | Duan, Haifeng; Sengupta, Sujata; Petersen, Jeffrey L.; Shi, Xiaodong |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 8 |
Pages of publication | 2352 |
a | 12.7831 ± 0.0006 Å |
b | 11.0266 ± 0.0006 Å |
c | 30.0545 ± 0.0016 Å |
α | 90° |
β | 101.371 ± 0.001° |
γ | 90° |
Cell volume | 4153.2 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.071 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Weighted residual factors for all reflections included in the refinement | 0.1224 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4068815.html
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