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Information card for entry 7016797
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Coordinates | 7016797.cif |
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Original paper (by DOI) | HTML |
Common name | Cp*Rh(C,C)I (3) |
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Formula | C34 H45 I N3 Rh |
Calculated formula | C34 H45 I N3 Rh |
SMILES | [Rh]12345(I)(=C6N(C=CN6c6c1cccc6Nc1c(cccc1C(C)C)C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Variable coordination of amine functionalised N-heterocyclic carbene ligands to Ru, Rh and Ir: C-H and N-H activation and catalytic transfer hydrogenation. |
Authors of publication | Cross, Warren B.; Daly, Christopher G.; Boutadla, Youcef; Singh, Kuldip |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 38 |
Pages of publication | 9722 - 9730 |
a | 13.277 ± 0.005 Å |
b | 8.466 ± 0.003 Å |
c | 28.869 ± 0.011 Å |
α | 90° |
β | 95.71 ± 0.008° |
γ | 90° |
Cell volume | 3229 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0907 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1103 |
Weighted residual factors for all reflections included in the refinement | 0.1242 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7016797.html
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Users of the data should acknowledge the original authors of the
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