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Information card for entry 4065614
Preview
Coordinates | 4065614.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H43 B F4 N2 |
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Calculated formula | C37 H43 B F4 N2 |
SMILES | C1=[N+]([C@H]2[C@@H](N1c1c(cccc1C(C)C)C(C)C)c1cccc3cccc2c13)c1c(cccc1C(C)C)C(C)C.[B](F)(F)(F)[F-] |
Title of publication | Synthesis, Structure, and Temperature-Dependent Dynamics of Neutral Palladium Allyl Complexes of Annulated Diaminocarbenes and Their Catalytic Application for C−C and C−N Bond Formation Reactions† |
Authors of publication | Dastgir, Sarim; Coleman, Karl S.; Cowley, Andrew R.; Green, Malcolm L. H. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 4858 |
a | 8.7832 ± 0.0002 Å |
b | 17.7852 ± 0.0004 Å |
c | 21.1308 ± 0.0005 Å |
α | 90° |
β | 97.2605 ± 0.0008° |
γ | 90° |
Cell volume | 3274.4 ± 0.13 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 significantly intense reflections | 0.0501 |
Weighted residual factors for all reflections included in the refinement | 0.0603 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0513 |
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/4065614.html
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