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Information card for entry 4068818
Preview
Coordinates | 4068818.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H57 N8 Rh2 |
---|---|
Calculated formula | C46 H50 N8 Rh2 |
SMILES | [Rh]1234(n5[n]([Rh]678([n]9n1nc(c9c1ccncc1)[C@@H](c1ccccc1)C)[CH]1CC[CH]6=[CH]7CC[CH]8=1)nc(c5c1ccncc1)[C@@H](c1ccccc1)C)[CH]1CC[CH]2=[CH]3CC[CH]4=1.[Rh]1234(n5[n]([Rh]678([n]9n1nc(c9c1ccncc1)[C@H](c1ccccc1)C)[CH]1CC[CH]6=[CH]7CC[CH]8=1)nc(c5c1ccncc1)[C@H](c1ccccc1)C)[CH]1CC[CH]2=[CH]3CC[CH]4=1 |
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 | 23.956 ± 0.0015 Å |
b | 16.4423 ± 0.001 Å |
c | 23.8789 ± 0.0015 Å |
α | 90° |
β | 90.454 ± 0.001° |
γ | 90° |
Cell volume | 9405.4 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0681 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1362 |
Weighted residual factors for all reflections included in the refinement | 0.1421 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/4068818.html
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Users of the data should acknowledge the original authors of the
structural data.