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Information card for entry 4075315
Preview
Coordinates | 4075315.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H72 F6 N6 O P Rh |
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Calculated formula | C46 H72 F6 N6 O P Rh |
SMILES | [Rh](C#[O])(=C1N(C=CN1C1CCCCC1)C1CCCCC1)(=C1N(C=CN1C1CCCCC1)C1CCCCC1)=C1N(C=CN1C1CCCCC1)C1CCCCC1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Cationic Tris N-Heterocyclic Carbene Rhodium Carbonyl Complexes: Molecular Structures and Solution NMR Studies |
Authors of publication | Burling, Suzanne; Douglas, Susie; Mahon, Mary F.; Nama, Devendrababu; Pregosin, Paul S.; Whittlesey, Michael K. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 10 |
Pages of publication | 2642 |
a | 15.03 ± 0.0001 Å |
b | 15.063 ± 0.0001 Å |
c | 21.646 ± 0.0002 Å |
α | 90° |
β | 96.431 ± 0.001° |
γ | 90° |
Cell volume | 4869.75 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0331 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0719 |
Weighted residual factors for all reflections included in the refinement | 0.0755 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4075315.html
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Users of the data should acknowledge the original authors of the
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