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Information card for entry 4313482
Preview
Coordinates | 4313482.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H36 B2 Cu F8 N14 |
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Calculated formula | C30 H36 B2 Cu F8 N14 |
SMILES | [Cu]1234[N]56CC[N]1=Cc1nnc(cc1)C=NCCN(CCN=Cc1nnc(cc1)C=[N]2CC5)CCN=Cc1n[n]3c(cc1)C=[N]4CC6.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Redox-Adaptable Copper Hosts. Pyridazine-Linked Cryptands Accommodate Copper in a Range of Redox States |
Authors of publication | Sally Brooker; Janna D. Ewing; Tanya K. Ronson; Charles J. Harding; Jane Nelson; David J. Speed |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2764 - 2773 |
a | 14.259 ± 0.014 Å |
b | 11.94 ± 0.011 Å |
c | 21.2 ± 0.02 Å |
α | 90° |
β | 100.997 ± 0.011° |
γ | 90° |
Cell volume | 3543 ± 6 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1329 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.091 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.779 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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