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Information card for entry 4081198
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Coordinates | 4081198.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | {CY5[NP]DIPP(PPh2)}Ir(CO)2 |
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Formula | C31 H33 Ir N O2 P |
Calculated formula | C31 H33 Ir N O2 P |
SMILES | [Ir]1([P](c2ccccc2)(C2=C(CCC2)N1c1c(C(C)C)cccc1C(C)C)c1ccccc1)(C#[O])C#[O] |
Title of publication | Use of the Imine‒Enamine Equilibrium in Cooperative Ligand Design |
Authors of publication | Wambach, Truman C.; Ahn, Jun Myun; Patrick, Brian O.; Fryzuk, Michael D. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4431 |
a | 8.7 ± 0.005 Å |
b | 9.338 ± 0.005 Å |
c | 18.565 ± 0.005 Å |
α | 81.112 ± 0.005° |
β | 78.791 ± 0.005° |
γ | 68.378 ± 0.005° |
Cell volume | 1369.7 ± 1.1 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0181 |
Residual factor for significantly intense reflections | 0.0173 |
Weighted residual factors for significantly intense reflections | 0.0445 |
Weighted residual factors for all reflections included in the refinement | 0.0449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71069 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/4081198.html
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Users of the data should acknowledge the original authors of the
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