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Information card for entry 4083741
Preview
Coordinates | 4083741.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H62 B Cl2 Cu F4 N4 |
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Calculated formula | C47 H62 B Cl2 Cu F4 N4 |
SMILES | [Cu](=C1N(CCCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(CCCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.ClCCl.[B](F)(F)(F)[F-] |
Title of publication | Use of Ring-Expanded Diamino- and Diamidocarbene Ligands in Copper Catalyzed Azide‒Alkyne “Click” Reactions |
Authors of publication | Collins, Lee R.; Rookes, Thomas M.; Mahon, Mary F.; Riddlestone, Ian M.; Whittlesey, Michael K. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 20 |
Pages of publication | 5882 |
a | 12.145 ± 0.0001 Å |
b | 17.81 ± 0.0002 Å |
c | 21.138 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4572.2 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P b c 21 |
Hall space group symbol | P 2c -2b |
Residual factor for all reflections | 0.0531 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.0951 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/4083741.html
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